data_16689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16689 _Entry.Title ; Backbone and side chain 1H, 15N and 13C assignments for a thiol-disulphide oxidoreductase from the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-21 _Entry.Accession_date 2010-01-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tony Collins . . . 16689 2 Manolis Matzapetakis . . . 16689 3 Helena Santos . . . 16689 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Tecnologia Quimica e Biologica (ITQB)' . 16689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 880 16689 '15N chemical shifts' 200 16689 '1H chemical shifts' 1376 16689 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 2 . . 2010-10-05 2010-01-21 update BMRB 'Update entry citation' 16689 1 . . 2010-05-18 2010-01-21 original author 'original release' 16689 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16689 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20455034 _Citation.Full_citation . _Citation.Title 'Backbone and side chain 1H, 15N and 13C assignments for a thiol-disulphide oxidoreductase from the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 151 _Citation.Page_last 154 _Citation.Year 2010 _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 Tony Collins . . . 16689 1 2 Manolis Matzapetakis . . . 16689 1 3 Helena Santos . . . 16689 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cold-adapted enzymes' 16689 1 DsbA 16689 1 oxidoreductase 16689 1 'Pseudoalteromonas haloplanktis' 16689 1 TAC125 16689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16689 _Assembly.ID 1 _Assembly.Name PshDsbA _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20809.7 _Assembly.Enzyme_commission_number 1.8.4.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DsbA 1 $PshDsbA A . yes native no no . . . 16689 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'catalyzes the extracytoplasmic formation of disulphide bonds in newly synthesized proteins' 16689 1 'thiol-disulphide oxidoreductase' 16689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PshDsbA _Entity.Sf_category entity _Entity.Sf_framecode PshDsbA _Entity.Entry_ID 16689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PshDsbA _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 ; ANFEVGNQYTVIDIEKSTTP QVTEYFSFYCPHCFKFEPVA HAIEENLPAGAVFIKNHVNF LGGVSPQTQSNLSLAYLVAK KHGQADTITDKIFKSIHVQR APLTEIKDLKKLLDINGISS DTFDQDIASMPIIAAEQAMQ DKQNKYSKLGALTGVPTFIV NDKYKINLNTIKSQEELDEL VSFLLAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the mature protein sequence after cleavage of the 20 aminoacid signal peptide' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 1.8.4.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20809.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Reduced form of protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 EMBL CAG25536 . "DsbA protein [Pseudoalteromonas haloplanktis TAC125]" . . . . . 100.00 207 100.00 100.00 5.25e-133 . . . . 16689 1 2 no EMBL CAI85351 . "periplasmic protein, disulfide bond formation [Pseudoalteromonas haloplanktis TAC125]" . . . . . 100.00 207 100.00 100.00 5.25e-133 . . . . 16689 1 3 no REF WP_011326965 . "disulfide bond formation protein [Pseudoalteromonas haloplanktis]" . . . . . 100.00 207 100.00 100.00 5.25e-133 . . . . 16689 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'catalyzes the extracytoplasmic formation of disulphide bonds in newly synthesized proteins' 16689 1 'thiol-disulphide oxidoreductase' 16689 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 16689 1 2 . ASN . 16689 1 3 . PHE . 16689 1 4 . GLU . 16689 1 5 . VAL . 16689 1 6 . GLY . 16689 1 7 . ASN . 16689 1 8 . GLN . 16689 1 9 . TYR . 16689 1 10 . THR . 16689 1 11 . VAL . 16689 1 12 . ILE . 16689 1 13 . ASP . 16689 1 14 . ILE . 16689 1 15 . GLU . 16689 1 16 . LYS . 16689 1 17 . SER . 16689 1 18 . THR . 16689 1 19 . THR . 16689 1 20 . PRO . 16689 1 21 . GLN . 16689 1 22 . VAL . 16689 1 23 . THR . 16689 1 24 . GLU . 16689 1 25 . TYR . 16689 1 26 . PHE . 16689 1 27 . SER . 16689 1 28 . PHE . 16689 1 29 . TYR . 16689 1 30 . CYS . 16689 1 31 . PRO . 16689 1 32 . HIS . 16689 1 33 . CYS . 16689 1 34 . PHE . 16689 1 35 . LYS . 16689 1 36 . PHE . 16689 1 37 . GLU . 16689 1 38 . PRO . 16689 1 39 . VAL . 16689 1 40 . ALA . 16689 1 41 . HIS . 16689 1 42 . ALA . 16689 1 43 . ILE . 16689 1 44 . GLU . 16689 1 45 . GLU . 16689 1 46 . ASN . 16689 1 47 . LEU . 16689 1 48 . PRO . 16689 1 49 . ALA . 16689 1 50 . GLY . 16689 1 51 . ALA . 16689 1 52 . VAL . 16689 1 53 . PHE . 16689 1 54 . ILE . 16689 1 55 . LYS . 16689 1 56 . ASN . 16689 1 57 . HIS . 16689 1 58 . VAL . 16689 1 59 . ASN . 16689 1 60 . PHE . 16689 1 61 . LEU . 16689 1 62 . GLY . 16689 1 63 . GLY . 16689 1 64 . VAL . 16689 1 65 . SER . 16689 1 66 . PRO . 16689 1 67 . GLN . 16689 1 68 . THR . 16689 1 69 . GLN . 16689 1 70 . SER . 16689 1 71 . ASN . 16689 1 72 . LEU . 16689 1 73 . SER . 16689 1 74 . LEU . 16689 1 75 . ALA . 16689 1 76 . TYR . 16689 1 77 . LEU . 16689 1 78 . VAL . 16689 1 79 . ALA . 16689 1 80 . LYS . 16689 1 81 . LYS . 16689 1 82 . HIS . 16689 1 83 . GLY . 16689 1 84 . GLN . 16689 1 85 . ALA . 16689 1 86 . ASP . 16689 1 87 . THR . 16689 1 88 . ILE . 16689 1 89 . THR . 16689 1 90 . ASP . 16689 1 91 . LYS . 16689 1 92 . ILE . 16689 1 93 . PHE . 16689 1 94 . LYS . 16689 1 95 . SER . 16689 1 96 . ILE . 16689 1 97 . HIS . 16689 1 98 . VAL . 16689 1 99 . GLN . 16689 1 100 . ARG . 16689 1 101 . ALA . 16689 1 102 . PRO . 16689 1 103 . LEU . 16689 1 104 . THR . 16689 1 105 . GLU . 16689 1 106 . ILE . 16689 1 107 . LYS . 16689 1 108 . ASP . 16689 1 109 . LEU . 16689 1 110 . LYS . 16689 1 111 . LYS . 16689 1 112 . LEU . 16689 1 113 . LEU . 16689 1 114 . ASP . 16689 1 115 . ILE . 16689 1 116 . ASN . 16689 1 117 . GLY . 16689 1 118 . ILE . 16689 1 119 . SER . 16689 1 120 . SER . 16689 1 121 . ASP . 16689 1 122 . THR . 16689 1 123 . PHE . 16689 1 124 . ASP . 16689 1 125 . GLN . 16689 1 126 . ASP . 16689 1 127 . ILE . 16689 1 128 . ALA . 16689 1 129 . SER . 16689 1 130 . MET . 16689 1 131 . PRO . 16689 1 132 . ILE . 16689 1 133 . ILE . 16689 1 134 . ALA . 16689 1 135 . ALA . 16689 1 136 . GLU . 16689 1 137 . GLN . 16689 1 138 . ALA . 16689 1 139 . MET . 16689 1 140 . GLN . 16689 1 141 . ASP . 16689 1 142 . LYS . 16689 1 143 . GLN . 16689 1 144 . ASN . 16689 1 145 . LYS . 16689 1 146 . TYR . 16689 1 147 . SER . 16689 1 148 . LYS . 16689 1 149 . LEU . 16689 1 150 . GLY . 16689 1 151 . ALA . 16689 1 152 . LEU . 16689 1 153 . THR . 16689 1 154 . GLY . 16689 1 155 . VAL . 16689 1 156 . PRO . 16689 1 157 . THR . 16689 1 158 . PHE . 16689 1 159 . ILE . 16689 1 160 . VAL . 16689 1 161 . ASN . 16689 1 162 . ASP . 16689 1 163 . LYS . 16689 1 164 . TYR . 16689 1 165 . LYS . 16689 1 166 . ILE . 16689 1 167 . ASN . 16689 1 168 . LEU . 16689 1 169 . ASN . 16689 1 170 . THR . 16689 1 171 . ILE . 16689 1 172 . LYS . 16689 1 173 . SER . 16689 1 174 . GLN . 16689 1 175 . GLU . 16689 1 176 . GLU . 16689 1 177 . LEU . 16689 1 178 . ASP . 16689 1 179 . GLU . 16689 1 180 . LEU . 16689 1 181 . VAL . 16689 1 182 . SER . 16689 1 183 . PHE . 16689 1 184 . LEU . 16689 1 185 . LEU . 16689 1 186 . ALA . 16689 1 187 . LEU . 16689 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16689 1 . ASN 2 2 16689 1 . PHE 3 3 16689 1 . GLU 4 4 16689 1 . VAL 5 5 16689 1 . GLY 6 6 16689 1 . ASN 7 7 16689 1 . GLN 8 8 16689 1 . TYR 9 9 16689 1 . THR 10 10 16689 1 . VAL 11 11 16689 1 . ILE 12 12 16689 1 . ASP 13 13 16689 1 . ILE 14 14 16689 1 . GLU 15 15 16689 1 . LYS 16 16 16689 1 . SER 17 17 16689 1 . THR 18 18 16689 1 . THR 19 19 16689 1 . PRO 20 20 16689 1 . GLN 21 21 16689 1 . VAL 22 22 16689 1 . THR 23 23 16689 1 . GLU 24 24 16689 1 . TYR 25 25 16689 1 . PHE 26 26 16689 1 . SER 27 27 16689 1 . PHE 28 28 16689 1 . TYR 29 29 16689 1 . CYS 30 30 16689 1 . PRO 31 31 16689 1 . HIS 32 32 16689 1 . CYS 33 33 16689 1 . PHE 34 34 16689 1 . LYS 35 35 16689 1 . PHE 36 36 16689 1 . GLU 37 37 16689 1 . PRO 38 38 16689 1 . VAL 39 39 16689 1 . ALA 40 40 16689 1 . HIS 41 41 16689 1 . ALA 42 42 16689 1 . ILE 43 43 16689 1 . GLU 44 44 16689 1 . GLU 45 45 16689 1 . ASN 46 46 16689 1 . LEU 47 47 16689 1 . PRO 48 48 16689 1 . ALA 49 49 16689 1 . GLY 50 50 16689 1 . ALA 51 51 16689 1 . VAL 52 52 16689 1 . PHE 53 53 16689 1 . ILE 54 54 16689 1 . LYS 55 55 16689 1 . ASN 56 56 16689 1 . HIS 57 57 16689 1 . VAL 58 58 16689 1 . ASN 59 59 16689 1 . PHE 60 60 16689 1 . LEU 61 61 16689 1 . GLY 62 62 16689 1 . GLY 63 63 16689 1 . VAL 64 64 16689 1 . SER 65 65 16689 1 . PRO 66 66 16689 1 . GLN 67 67 16689 1 . THR 68 68 16689 1 . GLN 69 69 16689 1 . SER 70 70 16689 1 . ASN 71 71 16689 1 . LEU 72 72 16689 1 . SER 73 73 16689 1 . LEU 74 74 16689 1 . ALA 75 75 16689 1 . TYR 76 76 16689 1 . LEU 77 77 16689 1 . VAL 78 78 16689 1 . ALA 79 79 16689 1 . LYS 80 80 16689 1 . LYS 81 81 16689 1 . HIS 82 82 16689 1 . GLY 83 83 16689 1 . GLN 84 84 16689 1 . ALA 85 85 16689 1 . ASP 86 86 16689 1 . THR 87 87 16689 1 . ILE 88 88 16689 1 . THR 89 89 16689 1 . ASP 90 90 16689 1 . LYS 91 91 16689 1 . ILE 92 92 16689 1 . PHE 93 93 16689 1 . LYS 94 94 16689 1 . SER 95 95 16689 1 . ILE 96 96 16689 1 . HIS 97 97 16689 1 . VAL 98 98 16689 1 . GLN 99 99 16689 1 . ARG 100 100 16689 1 . ALA 101 101 16689 1 . PRO 102 102 16689 1 . LEU 103 103 16689 1 . THR 104 104 16689 1 . GLU 105 105 16689 1 . ILE 106 106 16689 1 . LYS 107 107 16689 1 . ASP 108 108 16689 1 . LEU 109 109 16689 1 . LYS 110 110 16689 1 . LYS 111 111 16689 1 . LEU 112 112 16689 1 . LEU 113 113 16689 1 . ASP 114 114 16689 1 . ILE 115 115 16689 1 . ASN 116 116 16689 1 . GLY 117 117 16689 1 . ILE 118 118 16689 1 . SER 119 119 16689 1 . SER 120 120 16689 1 . ASP 121 121 16689 1 . THR 122 122 16689 1 . PHE 123 123 16689 1 . ASP 124 124 16689 1 . GLN 125 125 16689 1 . ASP 126 126 16689 1 . ILE 127 127 16689 1 . ALA 128 128 16689 1 . SER 129 129 16689 1 . MET 130 130 16689 1 . PRO 131 131 16689 1 . ILE 132 132 16689 1 . ILE 133 133 16689 1 . ALA 134 134 16689 1 . ALA 135 135 16689 1 . GLU 136 136 16689 1 . GLN 137 137 16689 1 . ALA 138 138 16689 1 . MET 139 139 16689 1 . GLN 140 140 16689 1 . ASP 141 141 16689 1 . LYS 142 142 16689 1 . GLN 143 143 16689 1 . ASN 144 144 16689 1 . LYS 145 145 16689 1 . TYR 146 146 16689 1 . SER 147 147 16689 1 . LYS 148 148 16689 1 . LEU 149 149 16689 1 . GLY 150 150 16689 1 . ALA 151 151 16689 1 . LEU 152 152 16689 1 . THR 153 153 16689 1 . GLY 154 154 16689 1 . VAL 155 155 16689 1 . PRO 156 156 16689 1 . THR 157 157 16689 1 . PHE 158 158 16689 1 . ILE 159 159 16689 1 . VAL 160 160 16689 1 . ASN 161 161 16689 1 . ASP 162 162 16689 1 . LYS 163 163 16689 1 . TYR 164 164 16689 1 . LYS 165 165 16689 1 . ILE 166 166 16689 1 . ASN 167 167 16689 1 . LEU 168 168 16689 1 . ASN 169 169 16689 1 . THR 170 170 16689 1 . ILE 171 171 16689 1 . LYS 172 172 16689 1 . SER 173 173 16689 1 . GLN 174 174 16689 1 . GLU 175 175 16689 1 . GLU 176 176 16689 1 . LEU 177 177 16689 1 . ASP 178 178 16689 1 . GLU 179 179 16689 1 . LEU 180 180 16689 1 . VAL 181 181 16689 1 . SER 182 182 16689 1 . PHE 183 183 16689 1 . LEU 184 184 16689 1 . LEU 185 185 16689 1 . ALA 186 186 16689 1 . LEU 187 187 16689 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 16689 _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 $PshDsbA . 228 organism . 'Pseudoalteromonas haloplanktis' 'Pseudoalteromonas haloplanktis' . . Eubacteria . Pseudoalteromonas haloplanktis TAC125 . . . . . . . . . . . . . . . dsbA . 'Organism isolated from antarctic sea waters' . . 16689 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 16689 _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 $PshDsbA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . . . . . . . . . . . pET22b(+) . . . . . . 16689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 16689 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PshDsbA '[U-13C; U-15N]' . . 1 $PshDsbA . . 2 . . mM . . . . 16689 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 16689 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16689 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16689 1 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 16689 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16689 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16689 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 16689 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PshDsbA [U-15N] . . 1 $PshDsbA . . 1.5 . . mM . . . . 16689 2 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 16689 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16689 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16689 2 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 16689 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16689 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16689 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16689 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 16689 1 pH 7.0 . pH 16689 1 pressure 1 . atm 16689 1 temperature 298 . K 16689 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16689 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16689 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16689 1 processing 16689 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16689 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16689 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16689 2 'peak picking' 16689 2 stop_ save_ save_RCI _Software.Sf_category software _Software.Sf_framecode RCI _Software.Entry_ID 16689 _Software.ID 3 _Software.Name RCI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Berjanskii and Wishart )' . . 16689 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'random coil prediction' 16689 3 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 16689 _Software.ID 4 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Wishart and Sykes)' . . 16689 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'secondary structure prediction' 16689 4 stop_ save_ save_Checkshift _Software.Sf_category software _Software.Sf_framecode Checkshift _Software.Entry_ID 16689 _Software.ID 5 _Software.Name Checkshift _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Ginzinger, Skočibu ić and Heun' . . 16689 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift recalibration' 16689 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16689 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II+' . 800 . . . 16689 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 16689 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 5 '3D HNCO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 6 '3D HCACO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 7 '3D HNCA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 11 '3D CBCANH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 15 hbCBcgcdceHE no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 16 hbCBcgcdHD no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 17 '3D HNHA' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16689 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16689 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16689 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16689 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16689 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 16689 1 2 '2D 1H-13C HSQC' . . . 16689 1 3 '2D 1H-1H TOCSY' . . . 16689 1 4 '2D 1H-1H NOESY' . . . 16689 1 5 '3D HNCO' . . . 16689 1 6 '3D HCACO' . . . 16689 1 7 '3D HNCA' . . . 16689 1 8 '3D HN(CO)CA' . . . 16689 1 9 '3D HBHA(CO)NH' . . . 16689 1 10 '3D CBCA(CO)NH' . . . 16689 1 11 '3D CBCANH' . . . 16689 1 12 '3D 1H-15N NOESY' . . . 16689 1 13 '3D 1H-15N TOCSY' . . . 16689 1 14 '3D 1H-13C NOESY' . . . 16689 1 15 hbCBcgcdceHE . . . 16689 1 16 hbCBcgcdHD . . . 16689 1 17 '3D HNHA' . . . 16689 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 16689 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 3.595 0.020 . 1 . . . . 1 ALA HA . 16689 1 2 . 1 1 1 1 ALA HB1 H 1 1.003 0.020 . 1 . . . . 1 ALA HB . 16689 1 3 . 1 1 1 1 ALA HB2 H 1 1.003 0.020 . 1 . . . . 1 ALA HB . 16689 1 4 . 1 1 1 1 ALA HB3 H 1 1.003 0.020 . 1 . . . . 1 ALA HB . 16689 1 5 . 1 1 1 1 ALA CA C 13 51.319 0.3 . 1 . . . . 1 ALA CA . 16689 1 6 . 1 1 1 1 ALA CB C 13 19.271 0.3 . 1 . . . . 1 ALA CB . 16689 1 7 . 1 1 2 2 ASN HA H 1 4.381 0.020 . 1 . . . . 2 ASN HA . 16689 1 8 . 1 1 2 2 ASN HB2 H 1 2.459 0.020 . 2 . . . . 2 ASN HB2 . 16689 1 9 . 1 1 2 2 ASN HB3 H 1 2.290 0.020 . 2 . . . . 2 ASN HB3 . 16689 1 10 . 1 1 2 2 ASN HD21 H 1 6.698 0.020 . 2 . . . . 2 ASN HD21 . 16689 1 11 . 1 1 2 2 ASN HD22 H 1 7.403 0.020 . 2 . . . . 2 ASN HD22 . 16689 1 12 . 1 1 2 2 ASN C C 13 173.519 0.3 . 1 . . . . 2 ASN C . 16689 1 13 . 1 1 2 2 ASN CA C 13 52.277 0.3 . 1 . . . . 2 ASN CA . 16689 1 14 . 1 1 2 2 ASN CB C 13 38.599 0.3 . 1 . . . . 2 ASN CB . 16689 1 15 . 1 1 2 2 ASN CG C 13 176.830 0.3 . 1 . . . . 2 ASN CG . 16689 1 16 . 1 1 2 2 ASN ND2 N 15 112.943 0.3 . 1 . . . . 2 ASN ND2 . 16689 1 17 . 1 1 3 3 PHE H H 1 7.505 0.020 . 1 . . . . 3 PHE H . 16689 1 18 . 1 1 3 3 PHE HA H 1 4.552 0.020 . 1 . . . . 3 PHE HA . 16689 1 19 . 1 1 3 3 PHE HB2 H 1 2.614 0.020 . 2 . . . . 3 PHE HB2 . 16689 1 20 . 1 1 3 3 PHE HB3 H 1 2.005 0.020 . 2 . . . . 3 PHE HB3 . 16689 1 21 . 1 1 3 3 PHE HD1 H 1 6.337 0.020 . 1 . . . . 3 PHE HD1 . 16689 1 22 . 1 1 3 3 PHE HD2 H 1 6.337 0.020 . 1 . . . . 3 PHE HD2 . 16689 1 23 . 1 1 3 3 PHE HE1 H 1 7.013 0.020 . 1 . . . . 3 PHE HE1 . 16689 1 24 . 1 1 3 3 PHE HE2 H 1 7.013 0.020 . 1 . . . . 3 PHE HE2 . 16689 1 25 . 1 1 3 3 PHE HZ H 1 7.118 0.020 . 1 . . . . 3 PHE HZ . 16689 1 26 . 1 1 3 3 PHE C C 13 175.083 0.3 . 1 . . . . 3 PHE C . 16689 1 27 . 1 1 3 3 PHE CA C 13 56.102 0.3 . 1 . . . . 3 PHE CA . 16689 1 28 . 1 1 3 3 PHE CB C 13 39.961 0.3 . 1 . . . . 3 PHE CB . 16689 1 29 . 1 1 3 3 PHE CD1 C 13 131.048 0.3 . 1 . . . . 3 PHE CD1 . 16689 1 30 . 1 1 3 3 PHE CD2 C 13 131.048 0.3 . 1 . . . . 3 PHE CD2 . 16689 1 31 . 1 1 3 3 PHE CE1 C 13 130.751 0.3 . 1 . . . . 3 PHE CE1 . 16689 1 32 . 1 1 3 3 PHE CE2 C 13 130.751 0.3 . 1 . . . . 3 PHE CE2 . 16689 1 33 . 1 1 3 3 PHE CZ C 13 129.603 0.3 . 1 . . . . 3 PHE CZ . 16689 1 34 . 1 1 3 3 PHE N N 15 120.005 0.3 . 1 . . . . 3 PHE N . 16689 1 35 . 1 1 4 4 GLU H H 1 9.070 0.020 . 1 . . . . 4 GLU H . 16689 1 36 . 1 1 4 4 GLU HA H 1 4.730 0.020 . 1 . . . . 4 GLU HA . 16689 1 37 . 1 1 4 4 GLU HB2 H 1 1.981 0.020 . 2 . . . . 4 GLU HB2 . 16689 1 38 . 1 1 4 4 GLU HB3 H 1 1.920 0.020 . 2 . . . . 4 GLU HB3 . 16689 1 39 . 1 1 4 4 GLU HG2 H 1 2.193 0.020 . 2 . . . . 4 GLU HG2 . 16689 1 40 . 1 1 4 4 GLU HG3 H 1 2.163 0.020 . 2 . . . . 4 GLU HG3 . 16689 1 41 . 1 1 4 4 GLU C C 13 175.210 0.3 . 1 . . . . 4 GLU C . 16689 1 42 . 1 1 4 4 GLU CA C 13 54.626 0.3 . 1 . . . . 4 GLU CA . 16689 1 43 . 1 1 4 4 GLU CB C 13 33.262 0.3 . 1 . . . . 4 GLU CB . 16689 1 44 . 1 1 4 4 GLU CG C 13 35.973 0.3 . 1 . . . . 4 GLU CG . 16689 1 45 . 1 1 4 4 GLU N N 15 123.377 0.3 . 1 . . . . 4 GLU N . 16689 1 46 . 1 1 5 5 VAL H H 1 8.403 0.020 . 1 . . . . 5 VAL H . 16689 1 47 . 1 1 5 5 VAL HA H 1 2.707 0.020 . 1 . . . . 5 VAL HA . 16689 1 48 . 1 1 5 5 VAL HB H 1 1.859 0.020 . 1 . . . . 5 VAL HB . 16689 1 49 . 1 1 5 5 VAL HG11 H 1 0.921 0.020 . 2 . . . . 5 VAL HG1 . 16689 1 50 . 1 1 5 5 VAL HG12 H 1 0.921 0.020 . 2 . . . . 5 VAL HG1 . 16689 1 51 . 1 1 5 5 VAL HG13 H 1 0.921 0.020 . 2 . . . . 5 VAL HG1 . 16689 1 52 . 1 1 5 5 VAL HG21 H 1 0.857 0.020 . 2 . . . . 5 VAL HG2 . 16689 1 53 . 1 1 5 5 VAL HG22 H 1 0.857 0.020 . 2 . . . . 5 VAL HG2 . 16689 1 54 . 1 1 5 5 VAL HG23 H 1 0.857 0.020 . 2 . . . . 5 VAL HG2 . 16689 1 55 . 1 1 5 5 VAL C C 13 176.446 0.3 . 1 . . . . 5 VAL C . 16689 1 56 . 1 1 5 5 VAL CA C 13 63.316 0.3 . 1 . . . . 5 VAL CA . 16689 1 57 . 1 1 5 5 VAL CB C 13 30.887 0.3 . 1 . . . . 5 VAL CB . 16689 1 58 . 1 1 5 5 VAL CG1 C 13 22.600 0.3 . 2 . . . . 5 VAL CG1 . 16689 1 59 . 1 1 5 5 VAL CG2 C 13 20.128 0.3 . 2 . . . . 5 VAL CG2 . 16689 1 60 . 1 1 5 5 VAL N N 15 126.438 0.3 . 1 . . . . 5 VAL N . 16689 1 61 . 1 1 6 6 GLY H H 1 8.549 0.020 . 1 . . . . 6 GLY H . 16689 1 62 . 1 1 6 6 GLY HA2 H 1 4.238 0.020 . 2 . . . . 6 GLY HA2 . 16689 1 63 . 1 1 6 6 GLY HA3 H 1 3.529 0.020 . 2 . . . . 6 GLY HA3 . 16689 1 64 . 1 1 6 6 GLY C C 13 172.667 0.3 . 1 . . . . 6 GLY C . 16689 1 65 . 1 1 6 6 GLY CA C 13 45.061 0.3 . 1 . . . . 6 GLY CA . 16689 1 66 . 1 1 6 6 GLY N N 15 116.220 0.3 . 1 . . . . 6 GLY N . 16689 1 67 . 1 1 7 7 ASN H H 1 7.943 0.020 . 1 . . . . 7 ASN H . 16689 1 68 . 1 1 7 7 ASN HA H 1 4.832 0.020 . 1 . . . . 7 ASN HA . 16689 1 69 . 1 1 7 7 ASN HB2 H 1 3.311 0.020 . 2 . . . . 7 ASN HB2 . 16689 1 70 . 1 1 7 7 ASN HB3 H 1 2.650 0.020 . 2 . . . . 7 ASN HB3 . 16689 1 71 . 1 1 7 7 ASN HD21 H 1 6.621 0.020 . 2 . . . . 7 ASN HD21 . 16689 1 72 . 1 1 7 7 ASN HD22 H 1 7.363 0.020 . 2 . . . . 7 ASN HD22 . 16689 1 73 . 1 1 7 7 ASN C C 13 176.117 0.3 . 1 . . . . 7 ASN C . 16689 1 74 . 1 1 7 7 ASN CA C 13 52.394 0.3 . 1 . . . . 7 ASN CA . 16689 1 75 . 1 1 7 7 ASN CB C 13 37.178 0.3 . 1 . . . . 7 ASN CB . 16689 1 76 . 1 1 7 7 ASN CG C 13 176.123 0.3 . 1 . . . . 7 ASN CG . 16689 1 77 . 1 1 7 7 ASN N N 15 118.263 0.3 . 1 . . . . 7 ASN N . 16689 1 78 . 1 1 7 7 ASN ND2 N 15 108.402 0.3 . 1 . . . . 7 ASN ND2 . 16689 1 79 . 1 1 8 8 GLN H H 1 8.911 0.020 . 1 . . . . 8 GLN H . 16689 1 80 . 1 1 8 8 GLN HA H 1 4.695 0.020 . 1 . . . . 8 GLN HA . 16689 1 81 . 1 1 8 8 GLN HB2 H 1 2.124 0.020 . 2 . . . . 8 GLN HB2 . 16689 1 82 . 1 1 8 8 GLN HB3 H 1 1.966 0.020 . 2 . . . . 8 GLN HB3 . 16689 1 83 . 1 1 8 8 GLN HE21 H 1 7.215 0.020 . 2 . . . . 8 GLN HE21 . 16689 1 84 . 1 1 8 8 GLN HE22 H 1 8.095 0.020 . 2 . . . . 8 GLN HE22 . 16689 1 85 . 1 1 8 8 GLN HG2 H 1 2.504 0.020 . 2 . . . . 8 GLN HG2 . 16689 1 86 . 1 1 8 8 GLN HG3 H 1 2.792 0.020 . 2 . . . . 8 GLN HG3 . 16689 1 87 . 1 1 8 8 GLN C C 13 174.432 0.3 . 1 . . . . 8 GLN C . 16689 1 88 . 1 1 8 8 GLN CA C 13 59.046 0.3 . 1 . . . . 8 GLN CA . 16689 1 89 . 1 1 8 8 GLN CB C 13 27.200 0.3 . 1 . . . . 8 GLN CB . 16689 1 90 . 1 1 8 8 GLN CD C 13 181.069 0.3 . 1 . . . . 8 GLN CD . 16689 1 91 . 1 1 8 8 GLN CG C 13 33.545 0.3 . 1 . . . . 8 GLN CG . 16689 1 92 . 1 1 8 8 GLN N N 15 115.787 0.3 . 1 . . . . 8 GLN N . 16689 1 93 . 1 1 8 8 GLN NE2 N 15 112.537 0.3 . 1 . . . . 8 GLN NE2 . 16689 1 94 . 1 1 9 9 TYR H H 1 7.378 0.020 . 1 . . . . 9 TYR H . 16689 1 95 . 1 1 9 9 TYR HA H 1 5.549 0.020 . 1 . . . . 9 TYR HA . 16689 1 96 . 1 1 9 9 TYR HB2 H 1 2.818 0.020 . 2 . . . . 9 TYR HB2 . 16689 1 97 . 1 1 9 9 TYR HB3 H 1 2.741 0.020 . 2 . . . . 9 TYR HB3 . 16689 1 98 . 1 1 9 9 TYR HD1 H 1 6.675 0.020 . 1 . . . . 9 TYR HD1 . 16689 1 99 . 1 1 9 9 TYR HD2 H 1 6.675 0.020 . 1 . . . . 9 TYR HD2 . 16689 1 100 . 1 1 9 9 TYR HE1 H 1 6.370 0.020 . 1 . . . . 9 TYR HE1 . 16689 1 101 . 1 1 9 9 TYR HE2 H 1 6.370 0.020 . 1 . . . . 9 TYR HE2 . 16689 1 102 . 1 1 9 9 TYR C C 13 172.323 0.3 . 1 . . . . 9 TYR C . 16689 1 103 . 1 1 9 9 TYR CA C 13 54.966 0.3 . 1 . . . . 9 TYR CA . 16689 1 104 . 1 1 9 9 TYR CB C 13 41.279 0.3 . 1 . . . . 9 TYR CB . 16689 1 105 . 1 1 9 9 TYR CD1 C 13 132.641 0.3 . 1 . . . . 9 TYR CD1 . 16689 1 106 . 1 1 9 9 TYR CD2 C 13 132.641 0.3 . 1 . . . . 9 TYR CD2 . 16689 1 107 . 1 1 9 9 TYR CE1 C 13 117.427 0.3 . 1 . . . . 9 TYR CE1 . 16689 1 108 . 1 1 9 9 TYR CE2 C 13 117.427 0.3 . 1 . . . . 9 TYR CE2 . 16689 1 109 . 1 1 9 9 TYR N N 15 111.486 0.3 . 1 . . . . 9 TYR N . 16689 1 110 . 1 1 10 10 THR H H 1 9.215 0.020 . 1 . . . . 10 THR H . 16689 1 111 . 1 1 10 10 THR HA H 1 4.482 0.020 . 1 . . . . 10 THR HA . 16689 1 112 . 1 1 10 10 THR HB H 1 3.954 0.020 . 1 . . . . 10 THR HB . 16689 1 113 . 1 1 10 10 THR HG21 H 1 1.139 0.020 . 1 . . . . 10 THR HG2 . 16689 1 114 . 1 1 10 10 THR HG22 H 1 1.139 0.020 . 1 . . . . 10 THR HG2 . 16689 1 115 . 1 1 10 10 THR HG23 H 1 1.139 0.020 . 1 . . . . 10 THR HG2 . 16689 1 116 . 1 1 10 10 THR C C 13 172.885 0.3 . 1 . . . . 10 THR C . 16689 1 117 . 1 1 10 10 THR CA C 13 60.646 0.3 . 1 . . . . 10 THR CA . 16689 1 118 . 1 1 10 10 THR CB C 13 72.281 0.3 . 1 . . . . 10 THR CB . 16689 1 119 . 1 1 10 10 THR CG2 C 13 22.045 0.3 . 1 . . . . 10 THR CG2 . 16689 1 120 . 1 1 10 10 THR N N 15 115.273 0.3 . 1 . . . . 10 THR N . 16689 1 121 . 1 1 11 11 VAL H H 1 8.747 0.020 . 1 . . . . 11 VAL H . 16689 1 122 . 1 1 11 11 VAL HA H 1 4.497 0.020 . 1 . . . . 11 VAL HA . 16689 1 123 . 1 1 11 11 VAL HB H 1 2.061 0.020 . 1 . . . . 11 VAL HB . 16689 1 124 . 1 1 11 11 VAL HG11 H 1 1.251 0.020 . 2 . . . . 11 VAL HG1 . 16689 1 125 . 1 1 11 11 VAL HG12 H 1 1.251 0.020 . 2 . . . . 11 VAL HG1 . 16689 1 126 . 1 1 11 11 VAL HG13 H 1 1.251 0.020 . 2 . . . . 11 VAL HG1 . 16689 1 127 . 1 1 11 11 VAL HG21 H 1 0.933 0.020 . 2 . . . . 11 VAL HG2 . 16689 1 128 . 1 1 11 11 VAL HG22 H 1 0.933 0.020 . 2 . . . . 11 VAL HG2 . 16689 1 129 . 1 1 11 11 VAL HG23 H 1 0.933 0.020 . 2 . . . . 11 VAL HG2 . 16689 1 130 . 1 1 11 11 VAL C C 13 175.116 0.3 . 1 . . . . 11 VAL C . 16689 1 131 . 1 1 11 11 VAL CA C 13 62.223 0.3 . 1 . . . . 11 VAL CA . 16689 1 132 . 1 1 11 11 VAL CB C 13 32.665 0.3 . 1 . . . . 11 VAL CB . 16689 1 133 . 1 1 11 11 VAL CG1 C 13 21.997 0.3 . 2 . . . . 11 VAL CG1 . 16689 1 134 . 1 1 11 11 VAL CG2 C 13 21.509 0.3 . 2 . . . . 11 VAL CG2 . 16689 1 135 . 1 1 11 11 VAL N N 15 124.812 0.3 . 1 . . . . 11 VAL N . 16689 1 136 . 1 1 12 12 ILE H H 1 9.201 0.020 . 1 . . . . 12 ILE H . 16689 1 137 . 1 1 12 12 ILE HA H 1 3.996 0.020 . 1 . . . . 12 ILE HA . 16689 1 138 . 1 1 12 12 ILE HB H 1 1.683 0.020 . 1 . . . . 12 ILE HB . 16689 1 139 . 1 1 12 12 ILE HD11 H 1 0.664 0.020 . 1 . . . . 12 ILE HD1 . 16689 1 140 . 1 1 12 12 ILE HD12 H 1 0.664 0.020 . 1 . . . . 12 ILE HD1 . 16689 1 141 . 1 1 12 12 ILE HD13 H 1 0.664 0.020 . 1 . . . . 12 ILE HD1 . 16689 1 142 . 1 1 12 12 ILE HG12 H 1 1.560 0.020 . 2 . . . . 12 ILE HG12 . 16689 1 143 . 1 1 12 12 ILE HG13 H 1 0.891 0.020 . 2 . . . . 12 ILE HG13 . 16689 1 144 . 1 1 12 12 ILE HG21 H 1 0.845 0.020 . 1 . . . . 12 ILE HG2 . 16689 1 145 . 1 1 12 12 ILE HG22 H 1 0.845 0.020 . 1 . . . . 12 ILE HG2 . 16689 1 146 . 1 1 12 12 ILE HG23 H 1 0.845 0.020 . 1 . . . . 12 ILE HG2 . 16689 1 147 . 1 1 12 12 ILE C C 13 175.350 0.3 . 1 . . . . 12 ILE C . 16689 1 148 . 1 1 12 12 ILE CA C 13 60.146 0.3 . 1 . . . . 12 ILE CA . 16689 1 149 . 1 1 12 12 ILE CB C 13 39.141 0.3 . 1 . . . . 12 ILE CB . 16689 1 150 . 1 1 12 12 ILE CD1 C 13 14.801 0.3 . 1 . . . . 12 ILE CD1 . 16689 1 151 . 1 1 12 12 ILE CG1 C 13 27.093 0.3 . 1 . . . . 12 ILE CG1 . 16689 1 152 . 1 1 12 12 ILE CG2 C 13 18.701 0.3 . 1 . . . . 12 ILE CG2 . 16689 1 153 . 1 1 12 12 ILE N N 15 131.384 0.3 . 1 . . . . 12 ILE N . 16689 1 154 . 1 1 13 13 ASP H H 1 8.718 0.020 . 1 . . . . 13 ASP H . 16689 1 155 . 1 1 13 13 ASP HA H 1 4.621 0.020 . 1 . . . . 13 ASP HA . 16689 1 156 . 1 1 13 13 ASP HB2 H 1 2.740 0.020 . 2 . . . . 13 ASP HB2 . 16689 1 157 . 1 1 13 13 ASP HB3 H 1 2.386 0.020 . 2 . . . . 13 ASP HB3 . 16689 1 158 . 1 1 13 13 ASP C C 13 172.592 0.3 . 1 . . . . 13 ASP C . 16689 1 159 . 1 1 13 13 ASP CA C 13 53.570 0.3 . 1 . . . . 13 ASP CA . 16689 1 160 . 1 1 13 13 ASP CB C 13 38.489 0.3 . 1 . . . . 13 ASP CB . 16689 1 161 . 1 1 13 13 ASP N N 15 128.937 0.3 . 1 . . . . 13 ASP N . 16689 1 162 . 1 1 14 14 ILE H H 1 8.058 0.020 . 1 . . . . 14 ILE H . 16689 1 163 . 1 1 14 14 ILE HA H 1 4.177 0.020 . 1 . . . . 14 ILE HA . 16689 1 164 . 1 1 14 14 ILE HB H 1 1.482 0.020 . 1 . . . . 14 ILE HB . 16689 1 165 . 1 1 14 14 ILE HD11 H 1 0.568 0.020 . 1 . . . . 14 ILE HD1 . 16689 1 166 . 1 1 14 14 ILE HD12 H 1 0.568 0.020 . 1 . . . . 14 ILE HD1 . 16689 1 167 . 1 1 14 14 ILE HD13 H 1 0.568 0.020 . 1 . . . . 14 ILE HD1 . 16689 1 168 . 1 1 14 14 ILE HG12 H 1 1.370 0.020 . 2 . . . . 14 ILE HG12 . 16689 1 169 . 1 1 14 14 ILE HG13 H 1 1.148 0.020 . 2 . . . . 14 ILE HG13 . 16689 1 170 . 1 1 14 14 ILE HG21 H 1 0.604 0.020 . 1 . . . . 14 ILE HG2 . 16689 1 171 . 1 1 14 14 ILE HG22 H 1 0.604 0.020 . 1 . . . . 14 ILE HG2 . 16689 1 172 . 1 1 14 14 ILE HG23 H 1 0.604 0.020 . 1 . . . . 14 ILE HG2 . 16689 1 173 . 1 1 14 14 ILE C C 13 172.821 0.3 . 1 . . . . 14 ILE C . 16689 1 174 . 1 1 14 14 ILE CA C 13 59.341 0.3 . 1 . . . . 14 ILE CA . 16689 1 175 . 1 1 14 14 ILE CB C 13 41.469 0.3 . 1 . . . . 14 ILE CB . 16689 1 176 . 1 1 14 14 ILE CD1 C 13 13.876 0.3 . 1 . . . . 14 ILE CD1 . 16689 1 177 . 1 1 14 14 ILE CG1 C 13 27.585 0.3 . 1 . . . . 14 ILE CG1 . 16689 1 178 . 1 1 14 14 ILE CG2 C 13 16.742 0.3 . 1 . . . . 14 ILE CG2 . 16689 1 179 . 1 1 14 14 ILE N N 15 123.390 0.3 . 1 . . . . 14 ILE N . 16689 1 180 . 1 1 15 15 GLU H H 1 7.872 0.020 . 1 . . . . 15 GLU H . 16689 1 181 . 1 1 15 15 GLU HA H 1 4.036 0.020 . 1 . . . . 15 GLU HA . 16689 1 182 . 1 1 15 15 GLU HB2 H 1 1.861 0.020 . 2 . . . . 15 GLU HB2 . 16689 1 183 . 1 1 15 15 GLU HB3 H 1 1.770 0.020 . 2 . . . . 15 GLU HB3 . 16689 1 184 . 1 1 15 15 GLU HG2 H 1 2.282 0.020 . 2 . . . . 15 GLU HG2 . 16689 1 185 . 1 1 15 15 GLU HG3 H 1 2.249 0.020 . 2 . . . . 15 GLU HG3 . 16689 1 186 . 1 1 15 15 GLU C C 13 175.764 0.3 . 1 . . . . 15 GLU C . 16689 1 187 . 1 1 15 15 GLU CA C 13 56.919 0.3 . 1 . . . . 15 GLU CA . 16689 1 188 . 1 1 15 15 GLU CB C 13 29.784 0.3 . 1 . . . . 15 GLU CB . 16689 1 189 . 1 1 15 15 GLU CG C 13 36.229 0.3 . 1 . . . . 15 GLU CG . 16689 1 190 . 1 1 15 15 GLU N N 15 122.927 0.3 . 1 . . . . 15 GLU N . 16689 1 191 . 1 1 16 16 LYS H H 1 8.229 0.020 . 1 . . . . 16 LYS H . 16689 1 192 . 1 1 16 16 LYS HA H 1 4.269 0.020 . 1 . . . . 16 LYS HA . 16689 1 193 . 1 1 16 16 LYS HB2 H 1 1.823 0.020 . 2 . . . . 16 LYS HB2 . 16689 1 194 . 1 1 16 16 LYS HB3 H 1 1.675 0.020 . 2 . . . . 16 LYS HB3 . 16689 1 195 . 1 1 16 16 LYS HD2 H 1 1.887 0.020 . 2 . . . . 16 LYS HD2 . 16689 1 196 . 1 1 16 16 LYS HD3 H 1 1.754 0.020 . 2 . . . . 16 LYS HD3 . 16689 1 197 . 1 1 16 16 LYS HE2 H 1 2.978 0.020 . 2 . . . . 16 LYS HE2 . 16689 1 198 . 1 1 16 16 LYS HE3 H 1 2.930 0.020 . 2 . . . . 16 LYS HE3 . 16689 1 199 . 1 1 16 16 LYS HG2 H 1 1.751 0.020 . 2 . . . . 16 LYS HG2 . 16689 1 200 . 1 1 16 16 LYS HG3 H 1 1.497 0.020 . 2 . . . . 16 LYS HG3 . 16689 1 201 . 1 1 16 16 LYS C C 13 176.818 0.3 . 1 . . . . 16 LYS C . 16689 1 202 . 1 1 16 16 LYS CA C 13 55.949 0.3 . 1 . . . . 16 LYS CA . 16689 1 203 . 1 1 16 16 LYS CB C 13 33.462 0.3 . 1 . . . . 16 LYS CB . 16689 1 204 . 1 1 16 16 LYS CD C 13 29.916 0.3 . 1 . . . . 16 LYS CD . 16689 1 205 . 1 1 16 16 LYS CE C 13 41.906 0.3 . 1 . . . . 16 LYS CE . 16689 1 206 . 1 1 16 16 LYS CG C 13 24.652 0.3 . 1 . . . . 16 LYS CG . 16689 1 207 . 1 1 16 16 LYS N N 15 121.295 0.3 . 1 . . . . 16 LYS N . 16689 1 208 . 1 1 17 17 SER H H 1 7.506 0.020 . 1 . . . . 17 SER H . 16689 1 209 . 1 1 17 17 SER HA H 1 4.195 0.020 . 1 . . . . 17 SER HA . 16689 1 210 . 1 1 17 17 SER HB2 H 1 3.898 0.020 . 2 . . . . 17 SER HB2 . 16689 1 211 . 1 1 17 17 SER HB3 H 1 3.469 0.020 . 2 . . . . 17 SER HB3 . 16689 1 212 . 1 1 17 17 SER C C 13 175.386 0.3 . 1 . . . . 17 SER C . 16689 1 213 . 1 1 17 17 SER CA C 13 58.252 0.3 . 1 . . . . 17 SER CA . 16689 1 214 . 1 1 17 17 SER CB C 13 63.922 0.3 . 1 . . . . 17 SER CB . 16689 1 215 . 1 1 17 17 SER N N 15 117.915 0.3 . 1 . . . . 17 SER N . 16689 1 216 . 1 1 18 18 THR H H 1 8.617 0.020 . 1 . . . . 18 THR H . 16689 1 217 . 1 1 18 18 THR HA H 1 4.062 0.020 . 1 . . . . 18 THR HA . 16689 1 218 . 1 1 18 18 THR HB H 1 4.262 0.020 . 1 . . . . 18 THR HB . 16689 1 219 . 1 1 18 18 THR HG21 H 1 1.211 0.020 . 1 . . . . 18 THR HG2 . 16689 1 220 . 1 1 18 18 THR HG22 H 1 1.211 0.020 . 1 . . . . 18 THR HG2 . 16689 1 221 . 1 1 18 18 THR HG23 H 1 1.211 0.020 . 1 . . . . 18 THR HG2 . 16689 1 222 . 1 1 18 18 THR C C 13 174.743 0.3 . 1 . . . . 18 THR C . 16689 1 223 . 1 1 18 18 THR CA C 13 63.582 0.3 . 1 . . . . 18 THR CA . 16689 1 224 . 1 1 18 18 THR CB C 13 68.714 0.3 . 1 . . . . 18 THR CB . 16689 1 225 . 1 1 18 18 THR CG2 C 13 21.966 0.3 . 1 . . . . 18 THR CG2 . 16689 1 226 . 1 1 18 18 THR N N 15 115.263 0.3 . 1 . . . . 18 THR N . 16689 1 227 . 1 1 19 19 THR H H 1 7.355 0.020 . 1 . . . . 19 THR H . 16689 1 228 . 1 1 19 19 THR HA H 1 4.714 0.020 . 1 . . . . 19 THR HA . 16689 1 229 . 1 1 19 19 THR HB H 1 4.078 0.020 . 1 . . . . 19 THR HB . 16689 1 230 . 1 1 19 19 THR HG21 H 1 1.066 0.020 . 1 . . . . 19 THR HG2 . 16689 1 231 . 1 1 19 19 THR HG22 H 1 1.066 0.020 . 1 . . . . 19 THR HG2 . 16689 1 232 . 1 1 19 19 THR HG23 H 1 1.066 0.020 . 1 . . . . 19 THR HG2 . 16689 1 233 . 1 1 19 19 THR C C 13 172.199 0.3 . 1 . . . . 19 THR C . 16689 1 234 . 1 1 19 19 THR CA C 13 58.408 0.3 . 1 . . . . 19 THR CA . 16689 1 235 . 1 1 19 19 THR CB C 13 69.832 0.3 . 1 . . . . 19 THR CB . 16689 1 236 . 1 1 19 19 THR CG2 C 13 21.042 0.3 . 1 . . . . 19 THR CG2 . 16689 1 237 . 1 1 19 19 THR N N 15 113.732 0.3 . 1 . . . . 19 THR N . 16689 1 238 . 1 1 20 20 PRO HA H 1 5.138 0.020 . 1 . . . . 20 PRO HA . 16689 1 239 . 1 1 20 20 PRO HB2 H 1 2.294 0.020 . 2 . . . . 20 PRO HB2 . 16689 1 240 . 1 1 20 20 PRO HB3 H 1 1.830 0.020 . 2 . . . . 20 PRO HB3 . 16689 1 241 . 1 1 20 20 PRO HD2 H 1 3.762 0.020 . 2 . . . . 20 PRO HD2 . 16689 1 242 . 1 1 20 20 PRO HD3 H 1 3.679 0.020 . 2 . . . . 20 PRO HD3 . 16689 1 243 . 1 1 20 20 PRO HG2 H 1 2.083 0.020 . 2 . . . . 20 PRO HG2 . 16689 1 244 . 1 1 20 20 PRO HG3 H 1 1.867 0.020 . 2 . . . . 20 PRO HG3 . 16689 1 245 . 1 1 20 20 PRO C C 13 177.640 0.3 . 1 . . . . 20 PRO C . 16689 1 246 . 1 1 20 20 PRO CA C 13 61.834 0.3 . 1 . . . . 20 PRO CA . 16689 1 247 . 1 1 20 20 PRO CB C 13 31.356 0.3 . 1 . . . . 20 PRO CB . 16689 1 248 . 1 1 20 20 PRO CD C 13 51.091 0.3 . 1 . . . . 20 PRO CD . 16689 1 249 . 1 1 20 20 PRO CG C 13 27.444 0.3 . 1 . . . . 20 PRO CG . 16689 1 250 . 1 1 21 21 GLN H H 1 9.167 0.020 . 1 . . . . 21 GLN H . 16689 1 251 . 1 1 21 21 GLN HA H 1 5.335 0.020 . 1 . . . . 21 GLN HA . 16689 1 252 . 1 1 21 21 GLN HB2 H 1 2.155 0.020 . 2 . . . . 21 GLN HB2 . 16689 1 253 . 1 1 21 21 GLN HB3 H 1 1.790 0.020 . 2 . . . . 21 GLN HB3 . 16689 1 254 . 1 1 21 21 GLN HE21 H 1 6.590 0.020 . 2 . . . . 21 GLN HE21 . 16689 1 255 . 1 1 21 21 GLN HE22 H 1 6.826 0.020 . 2 . . . . 21 GLN HE22 . 16689 1 256 . 1 1 21 21 GLN HG2 H 1 2.497 0.020 . 2 . . . . 21 GLN HG2 . 16689 1 257 . 1 1 21 21 GLN HG3 H 1 2.181 0.020 . 2 . . . . 21 GLN HG3 . 16689 1 258 . 1 1 21 21 GLN C C 13 174.174 0.3 . 1 . . . . 21 GLN C . 16689 1 259 . 1 1 21 21 GLN CA C 13 54.168 0.3 . 1 . . . . 21 GLN CA . 16689 1 260 . 1 1 21 21 GLN CB C 13 28.935 0.3 . 1 . . . . 21 GLN CB . 16689 1 261 . 1 1 21 21 GLN CD C 13 180.422 0.3 . 1 . . . . 21 GLN CD . 16689 1 262 . 1 1 21 21 GLN CG C 13 29.909 0.3 . 1 . . . . 21 GLN CG . 16689 1 263 . 1 1 21 21 GLN N N 15 119.955 0.3 . 1 . . . . 21 GLN N . 16689 1 264 . 1 1 21 21 GLN NE2 N 15 108.547 0.3 . 1 . . . . 21 GLN NE2 . 16689 1 265 . 1 1 22 22 VAL H H 1 8.433 0.020 . 1 . . . . 22 VAL H . 16689 1 266 . 1 1 22 22 VAL HA H 1 4.475 0.020 . 1 . . . . 22 VAL HA . 16689 1 267 . 1 1 22 22 VAL HB H 1 1.850 0.020 . 1 . . . . 22 VAL HB . 16689 1 268 . 1 1 22 22 VAL HG11 H 1 0.919 0.020 . 2 . . . . 22 VAL HG1 . 16689 1 269 . 1 1 22 22 VAL HG12 H 1 0.919 0.020 . 2 . . . . 22 VAL HG1 . 16689 1 270 . 1 1 22 22 VAL HG13 H 1 0.919 0.020 . 2 . . . . 22 VAL HG1 . 16689 1 271 . 1 1 22 22 VAL HG21 H 1 0.862 0.020 . 2 . . . . 22 VAL HG2 . 16689 1 272 . 1 1 22 22 VAL HG22 H 1 0.862 0.020 . 2 . . . . 22 VAL HG2 . 16689 1 273 . 1 1 22 22 VAL HG23 H 1 0.862 0.020 . 2 . . . . 22 VAL HG2 . 16689 1 274 . 1 1 22 22 VAL C C 13 173.734 0.3 . 1 . . . . 22 VAL C . 16689 1 275 . 1 1 22 22 VAL CA C 13 60.515 0.3 . 1 . . . . 22 VAL CA . 16689 1 276 . 1 1 22 22 VAL CB C 13 34.521 0.3 . 1 . . . . 22 VAL CB . 16689 1 277 . 1 1 22 22 VAL CG1 C 13 22.526 0.3 . 2 . . . . 22 VAL CG1 . 16689 1 278 . 1 1 22 22 VAL CG2 C 13 20.651 0.3 . 2 . . . . 22 VAL CG2 . 16689 1 279 . 1 1 22 22 VAL N N 15 118.752 0.3 . 1 . . . . 22 VAL N . 16689 1 280 . 1 1 23 23 THR H H 1 8.696 0.020 . 1 . . . . 23 THR H . 16689 1 281 . 1 1 23 23 THR HA H 1 5.135 0.020 . 1 . . . . 23 THR HA . 16689 1 282 . 1 1 23 23 THR HB H 1 3.576 0.020 . 1 . . . . 23 THR HB . 16689 1 283 . 1 1 23 23 THR HG21 H 1 0.240 0.020 . 1 . . . . 23 THR HG2 . 16689 1 284 . 1 1 23 23 THR HG22 H 1 0.240 0.020 . 1 . . . . 23 THR HG2 . 16689 1 285 . 1 1 23 23 THR HG23 H 1 0.240 0.020 . 1 . . . . 23 THR HG2 . 16689 1 286 . 1 1 23 23 THR C C 13 172.296 0.3 . 1 . . . . 23 THR C . 16689 1 287 . 1 1 23 23 THR CA C 13 60.200 0.3 . 1 . . . . 23 THR CA . 16689 1 288 . 1 1 23 23 THR CB C 13 70.904 0.3 . 1 . . . . 23 THR CB . 16689 1 289 . 1 1 23 23 THR CG2 C 13 20.520 0.3 . 1 . . . . 23 THR CG2 . 16689 1 290 . 1 1 23 23 THR N N 15 120.203 0.3 . 1 . . . . 23 THR N . 16689 1 291 . 1 1 24 24 GLU H H 1 8.519 0.020 . 1 . . . . 24 GLU H . 16689 1 292 . 1 1 24 24 GLU HA H 1 4.534 0.020 . 1 . . . . 24 GLU HA . 16689 1 293 . 1 1 24 24 GLU HB2 H 1 1.353 0.020 . 1 . . . . 24 GLU HB2 . 16689 1 294 . 1 1 24 24 GLU HB3 H 1 1.353 0.020 . 1 . . . . 24 GLU HB3 . 16689 1 295 . 1 1 24 24 GLU HG2 H 1 1.512 0.020 . 2 . . . . 24 GLU HG2 . 16689 1 296 . 1 1 24 24 GLU HG3 H 1 0.945 0.020 . 2 . . . . 24 GLU HG3 . 16689 1 297 . 1 1 24 24 GLU C C 13 174.230 0.3 . 1 . . . . 24 GLU C . 16689 1 298 . 1 1 24 24 GLU CA C 13 52.381 0.3 . 1 . . . . 24 GLU CA . 16689 1 299 . 1 1 24 24 GLU CB C 13 30.257 0.3 . 1 . . . . 24 GLU CB . 16689 1 300 . 1 1 24 24 GLU CG C 13 31.828 0.3 . 1 . . . . 24 GLU CG . 16689 1 301 . 1 1 24 24 GLU N N 15 125.322 0.3 . 1 . . . . 24 GLU N . 16689 1 302 . 1 1 25 25 TYR H H 1 9.348 0.020 . 1 . . . . 25 TYR H . 16689 1 303 . 1 1 25 25 TYR HA H 1 5.235 0.020 . 1 . . . . 25 TYR HA . 16689 1 304 . 1 1 25 25 TYR HB2 H 1 2.610 0.020 . 2 . . . . 25 TYR HB2 . 16689 1 305 . 1 1 25 25 TYR HB3 H 1 2.392 0.020 . 2 . . . . 25 TYR HB3 . 16689 1 306 . 1 1 25 25 TYR HD1 H 1 6.591 0.020 . 1 . . . . 25 TYR HD1 . 16689 1 307 . 1 1 25 25 TYR HD2 H 1 6.591 0.020 . 1 . . . . 25 TYR HD2 . 16689 1 308 . 1 1 25 25 TYR HE1 H 1 6.165 0.020 . 1 . . . . 25 TYR HE1 . 16689 1 309 . 1 1 25 25 TYR HE2 H 1 6.165 0.020 . 1 . . . . 25 TYR HE2 . 16689 1 310 . 1 1 25 25 TYR C C 13 175.319 0.3 . 1 . . . . 25 TYR C . 16689 1 311 . 1 1 25 25 TYR CA C 13 57.121 0.3 . 1 . . . . 25 TYR CA . 16689 1 312 . 1 1 25 25 TYR CB C 13 39.100 0.3 . 1 . . . . 25 TYR CB . 16689 1 313 . 1 1 25 25 TYR CD1 C 13 132.462 0.3 . 1 . . . . 25 TYR CD1 . 16689 1 314 . 1 1 25 25 TYR CD2 C 13 132.462 0.3 . 1 . . . . 25 TYR CD2 . 16689 1 315 . 1 1 25 25 TYR CE1 C 13 116.946 0.3 . 1 . . . . 25 TYR CE1 . 16689 1 316 . 1 1 25 25 TYR CE2 C 13 116.946 0.3 . 1 . . . . 25 TYR CE2 . 16689 1 317 . 1 1 25 25 TYR N N 15 130.071 0.3 . 1 . . . . 25 TYR N . 16689 1 318 . 1 1 26 26 PHE H H 1 8.332 0.020 . 1 . . . . 26 PHE H . 16689 1 319 . 1 1 26 26 PHE HA H 1 5.126 0.020 . 1 . . . . 26 PHE HA . 16689 1 320 . 1 1 26 26 PHE HB2 H 1 2.632 0.020 . 2 . . . . 26 PHE HB2 . 16689 1 321 . 1 1 26 26 PHE HB3 H 1 2.677 0.020 . 2 . . . . 26 PHE HB3 . 16689 1 322 . 1 1 26 26 PHE HD1 H 1 6.679 0.020 . 1 . . . . 26 PHE HD1 . 16689 1 323 . 1 1 26 26 PHE HD2 H 1 6.679 0.020 . 1 . . . . 26 PHE HD2 . 16689 1 324 . 1 1 26 26 PHE HE1 H 1 5.643 0.020 . 1 . . . . 26 PHE HE1 . 16689 1 325 . 1 1 26 26 PHE HE2 H 1 5.643 0.020 . 1 . . . . 26 PHE HE2 . 16689 1 326 . 1 1 26 26 PHE HZ H 1 5.902 0.020 . 1 . . . . 26 PHE HZ . 16689 1 327 . 1 1 26 26 PHE C C 13 169.930 0.3 . 1 . . . . 26 PHE C . 16689 1 328 . 1 1 26 26 PHE CA C 13 54.106 0.3 . 1 . . . . 26 PHE CA . 16689 1 329 . 1 1 26 26 PHE CB C 13 43.753 0.3 . 1 . . . . 26 PHE CB . 16689 1 330 . 1 1 26 26 PHE CD1 C 13 130.834 0.3 . 1 . . . . 26 PHE CD1 . 16689 1 331 . 1 1 26 26 PHE CD2 C 13 130.834 0.3 . 1 . . . . 26 PHE CD2 . 16689 1 332 . 1 1 26 26 PHE CE1 C 13 130.680 0.3 . 1 . . . . 26 PHE CE1 . 16689 1 333 . 1 1 26 26 PHE CE2 C 13 130.680 0.3 . 1 . . . . 26 PHE CE2 . 16689 1 334 . 1 1 26 26 PHE CZ C 13 129.568 0.3 . 1 . . . . 26 PHE CZ . 16689 1 335 . 1 1 26 26 PHE N N 15 122.304 0.3 . 1 . . . . 26 PHE N . 16689 1 336 . 1 1 27 27 SER H H 1 7.998 0.020 . 1 . . . . 27 SER H . 16689 1 337 . 1 1 27 27 SER HA H 1 4.751 0.020 . 1 . . . . 27 SER HA . 16689 1 338 . 1 1 27 27 SER HB2 H 1 3.366 0.020 . 2 . . . . 27 SER HB2 . 16689 1 339 . 1 1 27 27 SER HB3 H 1 3.248 0.020 . 2 . . . . 27 SER HB3 . 16689 1 340 . 1 1 27 27 SER C C 13 177.054 0.3 . 1 . . . . 27 SER C . 16689 1 341 . 1 1 27 27 SER CA C 13 54.763 0.3 . 1 . . . . 27 SER CA . 16689 1 342 . 1 1 27 27 SER CB C 13 65.546 0.3 . 1 . . . . 27 SER CB . 16689 1 343 . 1 1 27 27 SER N N 15 113.321 0.3 . 1 . . . . 27 SER N . 16689 1 344 . 1 1 28 28 PHE H H 1 11.077 0.020 . 1 . . . . 28 PHE H . 16689 1 345 . 1 1 28 28 PHE HA H 1 4.193 0.020 . 1 . . . . 28 PHE HA . 16689 1 346 . 1 1 28 28 PHE HB2 H 1 2.248 0.020 . 2 . . . . 28 PHE HB2 . 16689 1 347 . 1 1 28 28 PHE HB3 H 1 2.105 0.020 . 2 . . . . 28 PHE HB3 . 16689 1 348 . 1 1 28 28 PHE HD1 H 1 5.779 0.020 . 1 . . . . 28 PHE HD1 . 16689 1 349 . 1 1 28 28 PHE HD2 H 1 5.779 0.020 . 1 . . . . 28 PHE HD2 . 16689 1 350 . 1 1 28 28 PHE HE1 H 1 6.918 0.020 . 1 . . . . 28 PHE HE1 . 16689 1 351 . 1 1 28 28 PHE HE2 H 1 6.918 0.020 . 1 . . . . 28 PHE HE2 . 16689 1 352 . 1 1 28 28 PHE HZ H 1 7.030 0.020 . 1 . . . . 28 PHE HZ . 16689 1 353 . 1 1 28 28 PHE C C 13 176.836 0.3 . 1 . . . . 28 PHE C . 16689 1 354 . 1 1 28 28 PHE CA C 13 61.787 0.3 . 1 . . . . 28 PHE CA . 16689 1 355 . 1 1 28 28 PHE CB C 13 38.671 0.3 . 1 . . . . 28 PHE CB . 16689 1 356 . 1 1 28 28 PHE CD1 C 13 132.104 0.3 . 1 . . . . 28 PHE CD1 . 16689 1 357 . 1 1 28 28 PHE CD2 C 13 132.104 0.3 . 1 . . . . 28 PHE CD2 . 16689 1 358 . 1 1 28 28 PHE CE1 C 13 130.590 0.3 . 1 . . . . 28 PHE CE1 . 16689 1 359 . 1 1 28 28 PHE CE2 C 13 130.590 0.3 . 1 . . . . 28 PHE CE2 . 16689 1 360 . 1 1 28 28 PHE CZ C 13 127.242 0.3 . 1 . . . . 28 PHE CZ . 16689 1 361 . 1 1 28 28 PHE N N 15 130.251 0.3 . 1 . . . . 28 PHE N . 16689 1 362 . 1 1 29 29 TYR H H 1 8.650 0.020 . 1 . . . . 29 TYR H . 16689 1 363 . 1 1 29 29 TYR HA H 1 4.092 0.020 . 1 . . . . 29 TYR HA . 16689 1 364 . 1 1 29 29 TYR HB2 H 1 3.178 0.020 . 2 . . . . 29 TYR HB2 . 16689 1 365 . 1 1 29 29 TYR HB3 H 1 2.468 0.020 . 2 . . . . 29 TYR HB3 . 16689 1 366 . 1 1 29 29 TYR HD1 H 1 6.925 0.020 . 1 . . . . 29 TYR HD1 . 16689 1 367 . 1 1 29 29 TYR HD2 H 1 6.925 0.020 . 1 . . . . 29 TYR HD2 . 16689 1 368 . 1 1 29 29 TYR HE1 H 1 6.595 0.020 . 1 . . . . 29 TYR HE1 . 16689 1 369 . 1 1 29 29 TYR HE2 H 1 6.595 0.020 . 1 . . . . 29 TYR HE2 . 16689 1 370 . 1 1 29 29 TYR C C 13 174.364 0.3 . 1 . . . . 29 TYR C . 16689 1 371 . 1 1 29 29 TYR CA C 13 60.608 0.3 . 1 . . . . 29 TYR CA . 16689 1 372 . 1 1 29 29 TYR CB C 13 38.850 0.3 . 1 . . . . 29 TYR CB . 16689 1 373 . 1 1 29 29 TYR CD1 C 13 131.368 0.3 . 1 . . . . 29 TYR CD1 . 16689 1 374 . 1 1 29 29 TYR CD2 C 13 131.368 0.3 . 1 . . . . 29 TYR CD2 . 16689 1 375 . 1 1 29 29 TYR CE1 C 13 118.436 0.3 . 1 . . . . 29 TYR CE1 . 16689 1 376 . 1 1 29 29 TYR CE2 C 13 118.436 0.3 . 1 . . . . 29 TYR CE2 . 16689 1 377 . 1 1 29 29 TYR N N 15 114.345 0.3 . 1 . . . . 29 TYR N . 16689 1 378 . 1 1 30 30 CYS H H 1 7.511 0.020 . 1 . . . . 30 CYS H . 16689 1 379 . 1 1 30 30 CYS HA H 1 5.077 0.020 . 1 . . . . 30 CYS HA . 16689 1 380 . 1 1 30 30 CYS HB2 H 1 3.204 0.020 . 2 . . . . 30 CYS HB2 . 16689 1 381 . 1 1 30 30 CYS HB3 H 1 2.807 0.020 . 2 . . . . 30 CYS HB3 . 16689 1 382 . 1 1 30 30 CYS C C 13 175.235 0.3 . 1 . . . . 30 CYS C . 16689 1 383 . 1 1 30 30 CYS CA C 13 55.866 0.3 . 1 . . . . 30 CYS CA . 16689 1 384 . 1 1 30 30 CYS CB C 13 31.539 0.3 . 1 . . . . 30 CYS CB . 16689 1 385 . 1 1 30 30 CYS N N 15 126.261 0.3 . 1 . . . . 30 CYS N . 16689 1 386 . 1 1 31 31 PRO HA H 1 3.828 0.020 . 1 . . . . 31 PRO HA . 16689 1 387 . 1 1 31 31 PRO HB2 H 1 2.378 0.020 . 2 . . . . 31 PRO HB2 . 16689 1 388 . 1 1 31 31 PRO HB3 H 1 1.859 0.020 . 2 . . . . 31 PRO HB3 . 16689 1 389 . 1 1 31 31 PRO HD2 H 1 4.335 0.020 . 2 . . . . 31 PRO HD2 . 16689 1 390 . 1 1 31 31 PRO HD3 H 1 4.139 0.020 . 2 . . . . 31 PRO HD3 . 16689 1 391 . 1 1 31 31 PRO HG2 H 1 2.161 0.020 . 2 . . . . 31 PRO HG2 . 16689 1 392 . 1 1 31 31 PRO HG3 H 1 1.728 0.020 . 2 . . . . 31 PRO HG3 . 16689 1 393 . 1 1 31 31 PRO C C 13 179.407 0.3 . 1 . . . . 31 PRO C . 16689 1 394 . 1 1 31 31 PRO CA C 13 64.146 0.3 . 1 . . . . 31 PRO CA . 16689 1 395 . 1 1 31 31 PRO CB C 13 31.890 0.3 . 1 . . . . 31 PRO CB . 16689 1 396 . 1 1 31 31 PRO CD C 13 51.486 0.3 . 1 . . . . 31 PRO CD . 16689 1 397 . 1 1 31 31 PRO CG C 13 26.466 0.3 . 1 . . . . 31 PRO CG . 16689 1 398 . 1 1 32 32 HIS H H 1 9.575 0.020 . 1 . . . . 32 HIS H . 16689 1 399 . 1 1 32 32 HIS HA H 1 4.514 0.020 . 1 . . . . 32 HIS HA . 16689 1 400 . 1 1 32 32 HIS HB2 H 1 3.358 0.020 . 2 . . . . 32 HIS HB2 . 16689 1 401 . 1 1 32 32 HIS HB3 H 1 3.134 0.020 . 2 . . . . 32 HIS HB3 . 16689 1 402 . 1 1 32 32 HIS HD1 H 1 11.731 0.020 . 1 . . . . 32 HIS HD1 . 16689 1 403 . 1 1 32 32 HIS HD2 H 1 7.167 0.020 . 1 . . . . 32 HIS HD2 . 16689 1 404 . 1 1 32 32 HIS HE1 H 1 7.165 0.020 . 1 . . . . 32 HIS HE1 . 16689 1 405 . 1 1 32 32 HIS C C 13 179.002 0.3 . 1 . . . . 32 HIS C . 16689 1 406 . 1 1 32 32 HIS CA C 13 58.802 0.3 . 1 . . . . 32 HIS CA . 16689 1 407 . 1 1 32 32 HIS CB C 13 30.229 0.3 . 1 . . . . 32 HIS CB . 16689 1 408 . 1 1 32 32 HIS CD2 C 13 119.525 0.3 . 1 . . . . 32 HIS CD2 . 16689 1 409 . 1 1 32 32 HIS CE1 C 13 136.737 0.3 . 1 . . . . 32 HIS CE1 . 16689 1 410 . 1 1 32 32 HIS N N 15 128.612 0.3 . 1 . . . . 32 HIS N . 16689 1 411 . 1 1 32 32 HIS ND1 N 15 164.308 0.3 . 1 . . . . 32 HIS ND1 . 16689 1 412 . 1 1 33 33 CYS H H 1 10.320 0.020 . 1 . . . . 33 CYS H . 16689 1 413 . 1 1 33 33 CYS HA H 1 3.985 0.020 . 1 . . . . 33 CYS HA . 16689 1 414 . 1 1 33 33 CYS HB2 H 1 4.176 0.020 . 2 . . . . 33 CYS HB2 . 16689 1 415 . 1 1 33 33 CYS HB3 H 1 2.787 0.020 . 2 . . . . 33 CYS HB3 . 16689 1 416 . 1 1 33 33 CYS C C 13 177.533 0.3 . 1 . . . . 33 CYS C . 16689 1 417 . 1 1 33 33 CYS CA C 13 65.128 0.3 . 1 . . . . 33 CYS CA . 16689 1 418 . 1 1 33 33 CYS CB C 13 28.839 0.3 . 1 . . . . 33 CYS CB . 16689 1 419 . 1 1 33 33 CYS N N 15 127.684 0.3 . 1 . . . . 33 CYS N . 16689 1 420 . 1 1 34 34 PHE H H 1 7.818 0.020 . 1 . . . . 34 PHE H . 16689 1 421 . 1 1 34 34 PHE HA H 1 3.205 0.020 . 1 . . . . 34 PHE HA . 16689 1 422 . 1 1 34 34 PHE HB2 H 1 2.599 0.020 . 2 . . . . 34 PHE HB2 . 16689 1 423 . 1 1 34 34 PHE HB3 H 1 2.501 0.020 . 2 . . . . 34 PHE HB3 . 16689 1 424 . 1 1 34 34 PHE HD1 H 1 6.646 0.020 . 1 . . . . 34 PHE HD1 . 16689 1 425 . 1 1 34 34 PHE HD2 H 1 6.646 0.020 . 1 . . . . 34 PHE HD2 . 16689 1 426 . 1 1 34 34 PHE HE1 H 1 7.202 0.020 . 1 . . . . 34 PHE HE1 . 16689 1 427 . 1 1 34 34 PHE HE2 H 1 7.202 0.020 . 1 . . . . 34 PHE HE2 . 16689 1 428 . 1 1 34 34 PHE HZ H 1 7.050 0.020 . 1 . . . . 34 PHE HZ . 16689 1 429 . 1 1 34 34 PHE C C 13 177.664 0.3 . 1 . . . . 34 PHE C . 16689 1 430 . 1 1 34 34 PHE CA C 13 57.940 0.3 . 1 . . . . 34 PHE CA . 16689 1 431 . 1 1 34 34 PHE CB C 13 37.675 0.3 . 1 . . . . 34 PHE CB . 16689 1 432 . 1 1 34 34 PHE CD1 C 13 131.059 0.3 . 1 . . . . 34 PHE CD1 . 16689 1 433 . 1 1 34 34 PHE CD2 C 13 131.059 0.3 . 1 . . . . 34 PHE CD2 . 16689 1 434 . 1 1 34 34 PHE CE1 C 13 131.087 0.3 . 1 . . . . 34 PHE CE1 . 16689 1 435 . 1 1 34 34 PHE CE2 C 13 131.087 0.3 . 1 . . . . 34 PHE CE2 . 16689 1 436 . 1 1 34 34 PHE CZ C 13 129.348 0.3 . 1 . . . . 34 PHE CZ . 16689 1 437 . 1 1 34 34 PHE N N 15 119.820 0.3 . 1 . . . . 34 PHE N . 16689 1 438 . 1 1 35 35 LYS H H 1 7.636 0.020 . 1 . . . . 35 LYS H . 16689 1 439 . 1 1 35 35 LYS HA H 1 3.513 0.020 . 1 . . . . 35 LYS HA . 16689 1 440 . 1 1 35 35 LYS HB2 H 1 1.849 0.020 . 2 . . . . 35 LYS HB2 . 16689 1 441 . 1 1 35 35 LYS HB3 H 1 1.797 0.020 . 2 . . . . 35 LYS HB3 . 16689 1 442 . 1 1 35 35 LYS HD2 H 1 1.568 0.020 . 2 . . . . 35 LYS HD2 . 16689 1 443 . 1 1 35 35 LYS HD3 H 1 1.498 0.020 . 2 . . . . 35 LYS HD3 . 16689 1 444 . 1 1 35 35 LYS HE2 H 1 2.781 0.020 . 2 . . . . 35 LYS HE2 . 16689 1 445 . 1 1 35 35 LYS HE3 H 1 2.846 0.020 . 2 . . . . 35 LYS HE3 . 16689 1 446 . 1 1 35 35 LYS HG2 H 1 1.323 0.020 . 2 . . . . 35 LYS HG2 . 16689 1 447 . 1 1 35 35 LYS HG3 H 1 1.200 0.020 . 2 . . . . 35 LYS HG3 . 16689 1 448 . 1 1 35 35 LYS C C 13 176.877 0.3 . 1 . . . . 35 LYS C . 16689 1 449 . 1 1 35 35 LYS CA C 13 58.211 0.3 . 1 . . . . 35 LYS CA . 16689 1 450 . 1 1 35 35 LYS CB C 13 31.775 0.3 . 1 . . . . 35 LYS CB . 16689 1 451 . 1 1 35 35 LYS CD C 13 29.002 0.3 . 1 . . . . 35 LYS CD . 16689 1 452 . 1 1 35 35 LYS CE C 13 41.825 0.3 . 1 . . . . 35 LYS CE . 16689 1 453 . 1 1 35 35 LYS CG C 13 24.621 0.3 . 1 . . . . 35 LYS CG . 16689 1 454 . 1 1 35 35 LYS N N 15 120.586 0.3 . 1 . . . . 35 LYS N . 16689 1 455 . 1 1 36 36 PHE H H 1 7.817 0.020 . 1 . . . . 36 PHE H . 16689 1 456 . 1 1 36 36 PHE HA H 1 4.177 0.020 . 1 . . . . 36 PHE HA . 16689 1 457 . 1 1 36 36 PHE HB2 H 1 3.212 0.020 . 2 . . . . 36 PHE HB2 . 16689 1 458 . 1 1 36 36 PHE HB3 H 1 3.088 0.020 . 2 . . . . 36 PHE HB3 . 16689 1 459 . 1 1 36 36 PHE HD1 H 1 7.259 0.020 . 1 . . . . 36 PHE HD1 . 16689 1 460 . 1 1 36 36 PHE HD2 H 1 7.259 0.020 . 1 . . . . 36 PHE HD2 . 16689 1 461 . 1 1 36 36 PHE HE1 H 1 7.196 0.020 . 1 . . . . 36 PHE HE1 . 16689 1 462 . 1 1 36 36 PHE HE2 H 1 7.196 0.020 . 1 . . . . 36 PHE HE2 . 16689 1 463 . 1 1 36 36 PHE HZ H 1 7.157 0.020 . 1 . . . . 36 PHE HZ . 16689 1 464 . 1 1 36 36 PHE C C 13 176.263 0.3 . 1 . . . . 36 PHE C . 16689 1 465 . 1 1 36 36 PHE CA C 13 59.089 0.3 . 1 . . . . 36 PHE CA . 16689 1 466 . 1 1 36 36 PHE CB C 13 39.690 0.3 . 1 . . . . 36 PHE CB . 16689 1 467 . 1 1 36 36 PHE CD1 C 13 130.706 0.3 . 1 . . . . 36 PHE CD1 . 16689 1 468 . 1 1 36 36 PHE CD2 C 13 130.706 0.3 . 1 . . . . 36 PHE CD2 . 16689 1 469 . 1 1 36 36 PHE CE1 C 13 130.854 0.3 . 1 . . . . 36 PHE CE1 . 16689 1 470 . 1 1 36 36 PHE CE2 C 13 130.854 0.3 . 1 . . . . 36 PHE CE2 . 16689 1 471 . 1 1 36 36 PHE CZ C 13 129.876 0.3 . 1 . . . . 36 PHE CZ . 16689 1 472 . 1 1 36 36 PHE N N 15 115.534 0.3 . 1 . . . . 36 PHE N . 16689 1 473 . 1 1 37 37 GLU H H 1 7.381 0.020 . 1 . . . . 37 GLU H . 16689 1 474 . 1 1 37 37 GLU HA H 1 4.287 0.020 . 1 . . . . 37 GLU HA . 16689 1 475 . 1 1 37 37 GLU HB2 H 1 1.952 0.020 . 2 . . . . 37 GLU HB2 . 16689 1 476 . 1 1 37 37 GLU HB3 H 1 1.719 0.020 . 2 . . . . 37 GLU HB3 . 16689 1 477 . 1 1 37 37 GLU HG2 H 1 2.012 0.020 . 2 . . . . 37 GLU HG2 . 16689 1 478 . 1 1 37 37 GLU HG3 H 1 1.991 0.020 . 2 . . . . 37 GLU HG3 . 16689 1 479 . 1 1 37 37 GLU C C 13 175.386 0.3 . 1 . . . . 37 GLU C . 16689 1 480 . 1 1 37 37 GLU CA C 13 60.133 0.3 . 1 . . . . 37 GLU CA . 16689 1 481 . 1 1 37 37 GLU CB C 13 27.745 0.3 . 1 . . . . 37 GLU CB . 16689 1 482 . 1 1 37 37 GLU CG C 13 37.761 0.3 . 1 . . . . 37 GLU CG . 16689 1 483 . 1 1 37 37 GLU N N 15 123.231 0.3 . 1 . . . . 37 GLU N . 16689 1 484 . 1 1 38 38 PRO HA H 1 4.165 0.020 . 1 . . . . 38 PRO HA . 16689 1 485 . 1 1 38 38 PRO HB2 H 1 2.169 0.020 . 2 . . . . 38 PRO HB2 . 16689 1 486 . 1 1 38 38 PRO HB3 H 1 1.625 0.020 . 2 . . . . 38 PRO HB3 . 16689 1 487 . 1 1 38 38 PRO HD2 H 1 3.542 0.020 . 2 . . . . 38 PRO HD2 . 16689 1 488 . 1 1 38 38 PRO HD3 H 1 3.285 0.020 . 2 . . . . 38 PRO HD3 . 16689 1 489 . 1 1 38 38 PRO HG2 H 1 1.811 0.020 . 2 . . . . 38 PRO HG2 . 16689 1 490 . 1 1 38 38 PRO HG3 H 1 1.721 0.020 . 2 . . . . 38 PRO HG3 . 16689 1 491 . 1 1 38 38 PRO C C 13 179.609 0.3 . 1 . . . . 38 PRO C . 16689 1 492 . 1 1 38 38 PRO CA C 13 65.631 0.3 . 1 . . . . 38 PRO CA . 16689 1 493 . 1 1 38 38 PRO CB C 13 30.763 0.3 . 1 . . . . 38 PRO CB . 16689 1 494 . 1 1 38 38 PRO CD C 13 49.483 0.3 . 1 . . . . 38 PRO CD . 16689 1 495 . 1 1 38 38 PRO CG C 13 28.072 0.3 . 1 . . . . 38 PRO CG . 16689 1 496 . 1 1 39 39 VAL H H 1 6.708 0.020 . 1 . . . . 39 VAL H . 16689 1 497 . 1 1 39 39 VAL HA H 1 3.542 0.020 . 1 . . . . 39 VAL HA . 16689 1 498 . 1 1 39 39 VAL HB H 1 1.959 0.020 . 1 . . . . 39 VAL HB . 16689 1 499 . 1 1 39 39 VAL HG11 H 1 0.629 0.020 . 2 . . . . 39 VAL HG1 . 16689 1 500 . 1 1 39 39 VAL HG12 H 1 0.629 0.020 . 2 . . . . 39 VAL HG1 . 16689 1 501 . 1 1 39 39 VAL HG13 H 1 0.629 0.020 . 2 . . . . 39 VAL HG1 . 16689 1 502 . 1 1 39 39 VAL HG21 H 1 0.664 0.020 . 2 . . . . 39 VAL HG2 . 16689 1 503 . 1 1 39 39 VAL HG22 H 1 0.664 0.020 . 2 . . . . 39 VAL HG2 . 16689 1 504 . 1 1 39 39 VAL HG23 H 1 0.664 0.020 . 2 . . . . 39 VAL HG2 . 16689 1 505 . 1 1 39 39 VAL C C 13 177.241 0.3 . 1 . . . . 39 VAL C . 16689 1 506 . 1 1 39 39 VAL CA C 13 64.958 0.3 . 1 . . . . 39 VAL CA . 16689 1 507 . 1 1 39 39 VAL CB C 13 31.016 0.3 . 1 . . . . 39 VAL CB . 16689 1 508 . 1 1 39 39 VAL CG1 C 13 21.467 0.3 . 2 . . . . 39 VAL CG1 . 16689 1 509 . 1 1 39 39 VAL CG2 C 13 20.782 0.3 . 2 . . . . 39 VAL CG2 . 16689 1 510 . 1 1 39 39 VAL N N 15 119.378 0.3 . 1 . . . . 39 VAL N . 16689 1 511 . 1 1 40 40 ALA H H 1 8.203 0.020 . 1 . . . . 40 ALA H . 16689 1 512 . 1 1 40 40 ALA HA H 1 3.709 0.020 . 1 . . . . 40 ALA HA . 16689 1 513 . 1 1 40 40 ALA HB1 H 1 1.325 0.020 . 1 . . . . 40 ALA HB . 16689 1 514 . 1 1 40 40 ALA HB2 H 1 1.325 0.020 . 1 . . . . 40 ALA HB . 16689 1 515 . 1 1 40 40 ALA HB3 H 1 1.325 0.020 . 1 . . . . 40 ALA HB . 16689 1 516 . 1 1 40 40 ALA C C 13 179.694 0.3 . 1 . . . . 40 ALA C . 16689 1 517 . 1 1 40 40 ALA CA C 13 55.410 0.3 . 1 . . . . 40 ALA CA . 16689 1 518 . 1 1 40 40 ALA CB C 13 17.319 0.3 . 1 . . . . 40 ALA CB . 16689 1 519 . 1 1 40 40 ALA N N 15 122.007 0.3 . 1 . . . . 40 ALA N . 16689 1 520 . 1 1 41 41 HIS H H 1 8.004 0.020 . 1 . . . . 41 HIS H . 16689 1 521 . 1 1 41 41 HIS HA H 1 4.164 0.020 . 1 . . . . 41 HIS HA . 16689 1 522 . 1 1 41 41 HIS HB2 H 1 3.060 0.020 . 2 . . . . 41 HIS HB2 . 16689 1 523 . 1 1 41 41 HIS HB3 H 1 2.982 0.020 . 2 . . . . 41 HIS HB3 . 16689 1 524 . 1 1 41 41 HIS HD2 H 1 7.085 0.020 . 1 . . . . 41 HIS HD2 . 16689 1 525 . 1 1 41 41 HIS HE1 H 1 8.273 0.020 . 1 . . . . 41 HIS HE1 . 16689 1 526 . 1 1 41 41 HIS C C 13 176.295 0.3 . 1 . . . . 41 HIS C . 16689 1 527 . 1 1 41 41 HIS CA C 13 58.036 0.3 . 1 . . . . 41 HIS CA . 16689 1 528 . 1 1 41 41 HIS CB C 13 28.168 0.3 . 1 . . . . 41 HIS CB . 16689 1 529 . 1 1 41 41 HIS CD2 C 13 119.395 0.3 . 1 . . . . 41 HIS CD2 . 16689 1 530 . 1 1 41 41 HIS CE1 C 13 136.171 0.3 . 1 . . . . 41 HIS CE1 . 16689 1 531 . 1 1 41 41 HIS N N 15 115.118 0.3 . 1 . . . . 41 HIS N . 16689 1 532 . 1 1 42 42 ALA H H 1 7.571 0.020 . 1 . . . . 42 ALA H . 16689 1 533 . 1 1 42 42 ALA HA H 1 3.958 0.020 . 1 . . . . 42 ALA HA . 16689 1 534 . 1 1 42 42 ALA HB1 H 1 1.272 0.020 . 1 . . . . 42 ALA HB . 16689 1 535 . 1 1 42 42 ALA HB2 H 1 1.272 0.020 . 1 . . . . 42 ALA HB . 16689 1 536 . 1 1 42 42 ALA HB3 H 1 1.272 0.020 . 1 . . . . 42 ALA HB . 16689 1 537 . 1 1 42 42 ALA C C 13 179.732 0.3 . 1 . . . . 42 ALA C . 16689 1 538 . 1 1 42 42 ALA CA C 13 54.889 0.3 . 1 . . . . 42 ALA CA . 16689 1 539 . 1 1 42 42 ALA CB C 13 17.660 0.3 . 1 . . . . 42 ALA CB . 16689 1 540 . 1 1 42 42 ALA N N 15 123.402 0.3 . 1 . . . . 42 ALA N . 16689 1 541 . 1 1 43 43 ILE H H 1 8.317 0.020 . 1 . . . . 43 ILE H . 16689 1 542 . 1 1 43 43 ILE HA H 1 3.657 0.020 . 1 . . . . 43 ILE HA . 16689 1 543 . 1 1 43 43 ILE HB H 1 1.737 0.020 . 1 . . . . 43 ILE HB . 16689 1 544 . 1 1 43 43 ILE HD11 H 1 0.313 0.020 . 1 . . . . 43 ILE HD1 . 16689 1 545 . 1 1 43 43 ILE HD12 H 1 0.313 0.020 . 1 . . . . 43 ILE HD1 . 16689 1 546 . 1 1 43 43 ILE HD13 H 1 0.313 0.020 . 1 . . . . 43 ILE HD1 . 16689 1 547 . 1 1 43 43 ILE HG12 H 1 1.655 0.020 . 2 . . . . 43 ILE HG12 . 16689 1 548 . 1 1 43 43 ILE HG13 H 1 0.710 0.020 . 2 . . . . 43 ILE HG13 . 16689 1 549 . 1 1 43 43 ILE HG21 H 1 0.859 0.020 . 1 . . . . 43 ILE HG2 . 16689 1 550 . 1 1 43 43 ILE HG22 H 1 0.859 0.020 . 1 . . . . 43 ILE HG2 . 16689 1 551 . 1 1 43 43 ILE HG23 H 1 0.859 0.020 . 1 . . . . 43 ILE HG2 . 16689 1 552 . 1 1 43 43 ILE C C 13 178.690 0.3 . 1 . . . . 43 ILE C . 16689 1 553 . 1 1 43 43 ILE CA C 13 63.941 0.3 . 1 . . . . 43 ILE CA . 16689 1 554 . 1 1 43 43 ILE CB C 13 37.719 0.3 . 1 . . . . 43 ILE CB . 16689 1 555 . 1 1 43 43 ILE CD1 C 13 13.601 0.3 . 1 . . . . 43 ILE CD1 . 16689 1 556 . 1 1 43 43 ILE CG1 C 13 27.733 0.3 . 1 . . . . 43 ILE CG1 . 16689 1 557 . 1 1 43 43 ILE CG2 C 13 16.687 0.3 . 1 . . . . 43 ILE CG2 . 16689 1 558 . 1 1 43 43 ILE N N 15 117.023 0.3 . 1 . . . . 43 ILE N . 16689 1 559 . 1 1 44 44 GLU H H 1 7.174 0.020 . 1 . . . . 44 GLU H . 16689 1 560 . 1 1 44 44 GLU HA H 1 3.546 0.020 . 1 . . . . 44 GLU HA . 16689 1 561 . 1 1 44 44 GLU HB2 H 1 1.800 0.020 . 2 . . . . 44 GLU HB2 . 16689 1 562 . 1 1 44 44 GLU HB3 H 1 1.120 0.020 . 2 . . . . 44 GLU HB3 . 16689 1 563 . 1 1 44 44 GLU HG2 H 1 2.107 0.020 . 2 . . . . 44 GLU HG2 . 16689 1 564 . 1 1 44 44 GLU HG3 H 1 2.059 0.020 . 2 . . . . 44 GLU HG3 . 16689 1 565 . 1 1 44 44 GLU C C 13 178.088 0.3 . 1 . . . . 44 GLU C . 16689 1 566 . 1 1 44 44 GLU CA C 13 59.441 0.3 . 1 . . . . 44 GLU CA . 16689 1 567 . 1 1 44 44 GLU CB C 13 28.640 0.3 . 1 . . . . 44 GLU CB . 16689 1 568 . 1 1 44 44 GLU CG C 13 35.905 0.3 . 1 . . . . 44 GLU CG . 16689 1 569 . 1 1 44 44 GLU N N 15 117.401 0.3 . 1 . . . . 44 GLU N . 16689 1 570 . 1 1 45 45 GLU H H 1 7.986 0.020 . 1 . . . . 45 GLU H . 16689 1 571 . 1 1 45 45 GLU HA H 1 3.844 0.020 . 1 . . . . 45 GLU HA . 16689 1 572 . 1 1 45 45 GLU HB2 H 1 1.889 0.020 . 2 . . . . 45 GLU HB2 . 16689 1 573 . 1 1 45 45 GLU HB3 H 1 1.838 0.020 . 2 . . . . 45 GLU HB3 . 16689 1 574 . 1 1 45 45 GLU HG2 H 1 2.121 0.020 . 1 . . . . 45 GLU HG2 . 16689 1 575 . 1 1 45 45 GLU HG3 H 1 2.121 0.020 . 1 . . . . 45 GLU HG3 . 16689 1 576 . 1 1 45 45 GLU C C 13 177.109 0.3 . 1 . . . . 45 GLU C . 16689 1 577 . 1 1 45 45 GLU CA C 13 58.448 0.3 . 1 . . . . 45 GLU CA . 16689 1 578 . 1 1 45 45 GLU CB C 13 29.643 0.3 . 1 . . . . 45 GLU CB . 16689 1 579 . 1 1 45 45 GLU CG C 13 35.995 0.3 . 1 . . . . 45 GLU CG . 16689 1 580 . 1 1 45 45 GLU N N 15 117.824 0.3 . 1 . . . . 45 GLU N . 16689 1 581 . 1 1 46 46 ASN H H 1 7.215 0.020 . 1 . . . . 46 ASN H . 16689 1 582 . 1 1 46 46 ASN HA H 1 4.782 0.020 . 1 . . . . 46 ASN HA . 16689 1 583 . 1 1 46 46 ASN HB2 H 1 2.792 0.020 . 2 . . . . 46 ASN HB2 . 16689 1 584 . 1 1 46 46 ASN HB3 H 1 2.524 0.020 . 2 . . . . 46 ASN HB3 . 16689 1 585 . 1 1 46 46 ASN HD21 H 1 6.578 0.020 . 2 . . . . 46 ASN HD21 . 16689 1 586 . 1 1 46 46 ASN HD22 H 1 7.970 0.020 . 2 . . . . 46 ASN HD22 . 16689 1 587 . 1 1 46 46 ASN C C 13 174.617 0.3 . 1 . . . . 46 ASN C . 16689 1 588 . 1 1 46 46 ASN CA C 13 52.198 0.3 . 1 . . . . 46 ASN CA . 16689 1 589 . 1 1 46 46 ASN CB C 13 39.002 0.3 . 1 . . . . 46 ASN CB . 16689 1 590 . 1 1 46 46 ASN CG C 13 177.433 0.3 . 1 . . . . 46 ASN CG . 16689 1 591 . 1 1 46 46 ASN N N 15 114.931 0.3 . 1 . . . . 46 ASN N . 16689 1 592 . 1 1 46 46 ASN ND2 N 15 114.090 0.3 . 1 . . . . 46 ASN ND2 . 16689 1 593 . 1 1 47 47 LEU H H 1 7.049 0.020 . 1 . . . . 47 LEU H . 16689 1 594 . 1 1 47 47 LEU HA H 1 4.115 0.020 . 1 . . . . 47 LEU HA . 16689 1 595 . 1 1 47 47 LEU HB2 H 1 1.735 0.020 . 2 . . . . 47 LEU HB2 . 16689 1 596 . 1 1 47 47 LEU HB3 H 1 1.247 0.020 . 2 . . . . 47 LEU HB3 . 16689 1 597 . 1 1 47 47 LEU HD11 H 1 0.802 0.020 . 2 . . . . 47 LEU HD1 . 16689 1 598 . 1 1 47 47 LEU HD12 H 1 0.802 0.020 . 2 . . . . 47 LEU HD1 . 16689 1 599 . 1 1 47 47 LEU HD13 H 1 0.802 0.020 . 2 . . . . 47 LEU HD1 . 16689 1 600 . 1 1 47 47 LEU HD21 H 1 0.672 0.020 . 2 . . . . 47 LEU HD2 . 16689 1 601 . 1 1 47 47 LEU HD22 H 1 0.672 0.020 . 2 . . . . 47 LEU HD2 . 16689 1 602 . 1 1 47 47 LEU HD23 H 1 0.672 0.020 . 2 . . . . 47 LEU HD2 . 16689 1 603 . 1 1 47 47 LEU HG H 1 2.343 0.020 . 1 . . . . 47 LEU HG . 16689 1 604 . 1 1 47 47 LEU C C 13 174.983 0.3 . 1 . . . . 47 LEU C . 16689 1 605 . 1 1 47 47 LEU CA C 13 53.476 0.3 . 1 . . . . 47 LEU CA . 16689 1 606 . 1 1 47 47 LEU CB C 13 41.042 0.3 . 1 . . . . 47 LEU CB . 16689 1 607 . 1 1 47 47 LEU CD1 C 13 26.517 0.3 . 2 . . . . 47 LEU CD1 . 16689 1 608 . 1 1 47 47 LEU CD2 C 13 23.951 0.3 . 2 . . . . 47 LEU CD2 . 16689 1 609 . 1 1 47 47 LEU CG C 13 25.275 0.3 . 1 . . . . 47 LEU CG . 16689 1 610 . 1 1 47 47 LEU N N 15 120.992 0.3 . 1 . . . . 47 LEU N . 16689 1 611 . 1 1 48 48 PRO HA H 1 4.381 0.020 . 1 . . . . 48 PRO HA . 16689 1 612 . 1 1 48 48 PRO HB2 H 1 2.224 0.020 . 2 . . . . 48 PRO HB2 . 16689 1 613 . 1 1 48 48 PRO HB3 H 1 1.780 0.020 . 2 . . . . 48 PRO HB3 . 16689 1 614 . 1 1 48 48 PRO HD2 H 1 3.798 0.020 . 2 . . . . 48 PRO HD2 . 16689 1 615 . 1 1 48 48 PRO HD3 H 1 3.060 0.020 . 2 . . . . 48 PRO HD3 . 16689 1 616 . 1 1 48 48 PRO HG2 H 1 1.955 0.020 . 2 . . . . 48 PRO HG2 . 16689 1 617 . 1 1 48 48 PRO HG3 H 1 1.799 0.020 . 2 . . . . 48 PRO HG3 . 16689 1 618 . 1 1 48 48 PRO C C 13 175.908 0.3 . 1 . . . . 48 PRO C . 16689 1 619 . 1 1 48 48 PRO CA C 13 61.949 0.3 . 1 . . . . 48 PRO CA . 16689 1 620 . 1 1 48 48 PRO CB C 13 32.027 0.3 . 1 . . . . 48 PRO CB . 16689 1 621 . 1 1 48 48 PRO CD C 13 49.759 0.3 . 1 . . . . 48 PRO CD . 16689 1 622 . 1 1 48 48 PRO CG C 13 27.094 0.3 . 1 . . . . 48 PRO CG . 16689 1 623 . 1 1 49 49 ALA H H 1 8.243 0.020 . 1 . . . . 49 ALA H . 16689 1 624 . 1 1 49 49 ALA HA H 1 4.035 0.020 . 1 . . . . 49 ALA HA . 16689 1 625 . 1 1 49 49 ALA HB1 H 1 1.287 0.020 . 1 . . . . 49 ALA HB . 16689 1 626 . 1 1 49 49 ALA HB2 H 1 1.287 0.020 . 1 . . . . 49 ALA HB . 16689 1 627 . 1 1 49 49 ALA HB3 H 1 1.287 0.020 . 1 . . . . 49 ALA HB . 16689 1 628 . 1 1 49 49 ALA C C 13 178.795 0.3 . 1 . . . . 49 ALA C . 16689 1 629 . 1 1 49 49 ALA CA C 13 53.489 0.3 . 1 . . . . 49 ALA CA . 16689 1 630 . 1 1 49 49 ALA CB C 13 17.832 0.3 . 1 . . . . 49 ALA CB . 16689 1 631 . 1 1 49 49 ALA N N 15 122.716 0.3 . 1 . . . . 49 ALA N . 16689 1 632 . 1 1 50 50 GLY H H 1 8.612 0.020 . 1 . . . . 50 GLY H . 16689 1 633 . 1 1 50 50 GLY HA2 H 1 3.527 0.020 . 2 . . . . 50 GLY HA2 . 16689 1 634 . 1 1 50 50 GLY HA3 H 1 4.231 0.020 . 2 . . . . 50 GLY HA3 . 16689 1 635 . 1 1 50 50 GLY C C 13 173.289 0.3 . 1 . . . . 50 GLY C . 16689 1 636 . 1 1 50 50 GLY CA C 13 44.836 0.3 . 1 . . . . 50 GLY CA . 16689 1 637 . 1 1 50 50 GLY N N 15 111.221 0.3 . 1 . . . . 50 GLY N . 16689 1 638 . 1 1 51 51 ALA H H 1 7.659 0.020 . 1 . . . . 51 ALA H . 16689 1 639 . 1 1 51 51 ALA HA H 1 4.820 0.020 . 1 . . . . 51 ALA HA . 16689 1 640 . 1 1 51 51 ALA HB1 H 1 1.238 0.020 . 1 . . . . 51 ALA HB . 16689 1 641 . 1 1 51 51 ALA HB2 H 1 1.238 0.020 . 1 . . . . 51 ALA HB . 16689 1 642 . 1 1 51 51 ALA HB3 H 1 1.238 0.020 . 1 . . . . 51 ALA HB . 16689 1 643 . 1 1 51 51 ALA C C 13 176.271 0.3 . 1 . . . . 51 ALA C . 16689 1 644 . 1 1 51 51 ALA CA C 13 50.538 0.3 . 1 . . . . 51 ALA CA . 16689 1 645 . 1 1 51 51 ALA CB C 13 20.835 0.3 . 1 . . . . 51 ALA CB . 16689 1 646 . 1 1 51 51 ALA N N 15 122.121 0.3 . 1 . . . . 51 ALA N . 16689 1 647 . 1 1 52 52 VAL H H 1 7.227 0.020 . 1 . . . . 52 VAL H . 16689 1 648 . 1 1 52 52 VAL HA H 1 4.564 0.020 . 1 . . . . 52 VAL HA . 16689 1 649 . 1 1 52 52 VAL HB H 1 2.026 0.020 . 1 . . . . 52 VAL HB . 16689 1 650 . 1 1 52 52 VAL HG11 H 1 0.832 0.020 . 2 . . . . 52 VAL HG1 . 16689 1 651 . 1 1 52 52 VAL HG12 H 1 0.832 0.020 . 2 . . . . 52 VAL HG1 . 16689 1 652 . 1 1 52 52 VAL HG13 H 1 0.832 0.020 . 2 . . . . 52 VAL HG1 . 16689 1 653 . 1 1 52 52 VAL HG21 H 1 0.802 0.020 . 2 . . . . 52 VAL HG2 . 16689 1 654 . 1 1 52 52 VAL HG22 H 1 0.802 0.020 . 2 . . . . 52 VAL HG2 . 16689 1 655 . 1 1 52 52 VAL HG23 H 1 0.802 0.020 . 2 . . . . 52 VAL HG2 . 16689 1 656 . 1 1 52 52 VAL C C 13 172.701 0.3 . 1 . . . . 52 VAL C . 16689 1 657 . 1 1 52 52 VAL CA C 13 59.691 0.3 . 1 . . . . 52 VAL CA . 16689 1 658 . 1 1 52 52 VAL CB C 13 35.253 0.3 . 1 . . . . 52 VAL CB . 16689 1 659 . 1 1 52 52 VAL CG1 C 13 21.075 0.3 . 2 . . . . 52 VAL CG1 . 16689 1 660 . 1 1 52 52 VAL CG2 C 13 19.003 0.3 . 2 . . . . 52 VAL CG2 . 16689 1 661 . 1 1 52 52 VAL N N 15 113.403 0.3 . 1 . . . . 52 VAL N . 16689 1 662 . 1 1 53 53 PHE H H 1 8.826 0.020 . 1 . . . . 53 PHE H . 16689 1 663 . 1 1 53 53 PHE HA H 1 5.132 0.020 . 1 . . . . 53 PHE HA . 16689 1 664 . 1 1 53 53 PHE HB2 H 1 3.069 0.020 . 2 . . . . 53 PHE HB2 . 16689 1 665 . 1 1 53 53 PHE HB3 H 1 2.547 0.020 . 2 . . . . 53 PHE HB3 . 16689 1 666 . 1 1 53 53 PHE HD1 H 1 6.895 0.020 . 1 . . . . 53 PHE HD1 . 16689 1 667 . 1 1 53 53 PHE HD2 H 1 6.895 0.020 . 1 . . . . 53 PHE HD2 . 16689 1 668 . 1 1 53 53 PHE HE1 H 1 7.041 0.020 . 1 . . . . 53 PHE HE1 . 16689 1 669 . 1 1 53 53 PHE HE2 H 1 7.041 0.020 . 1 . . . . 53 PHE HE2 . 16689 1 670 . 1 1 53 53 PHE HZ H 1 7.183 0.020 . 1 . . . . 53 PHE HZ . 16689 1 671 . 1 1 53 53 PHE C C 13 174.364 0.3 . 1 . . . . 53 PHE C . 16689 1 672 . 1 1 53 53 PHE CA C 13 56.071 0.3 . 1 . . . . 53 PHE CA . 16689 1 673 . 1 1 53 53 PHE CB C 13 41.828 0.3 . 1 . . . . 53 PHE CB . 16689 1 674 . 1 1 53 53 PHE CD1 C 13 131.159 0.3 . 1 . . . . 53 PHE CD1 . 16689 1 675 . 1 1 53 53 PHE CD2 C 13 131.159 0.3 . 1 . . . . 53 PHE CD2 . 16689 1 676 . 1 1 53 53 PHE CE1 C 13 130.112 0.3 . 1 . . . . 53 PHE CE1 . 16689 1 677 . 1 1 53 53 PHE CE2 C 13 130.112 0.3 . 1 . . . . 53 PHE CE2 . 16689 1 678 . 1 1 53 53 PHE CZ C 13 129.028 0.3 . 1 . . . . 53 PHE CZ . 16689 1 679 . 1 1 53 53 PHE N N 15 123.945 0.3 . 1 . . . . 53 PHE N . 16689 1 680 . 1 1 54 54 ILE H H 1 8.817 0.020 . 1 . . . . 54 ILE H . 16689 1 681 . 1 1 54 54 ILE HA H 1 4.032 0.020 . 1 . . . . 54 ILE HA . 16689 1 682 . 1 1 54 54 ILE HB H 1 1.683 0.020 . 1 . . . . 54 ILE HB . 16689 1 683 . 1 1 54 54 ILE HD11 H 1 0.541 0.020 . 1 . . . . 54 ILE HD1 . 16689 1 684 . 1 1 54 54 ILE HD12 H 1 0.541 0.020 . 1 . . . . 54 ILE HD1 . 16689 1 685 . 1 1 54 54 ILE HD13 H 1 0.541 0.020 . 1 . . . . 54 ILE HD1 . 16689 1 686 . 1 1 54 54 ILE HG12 H 1 1.228 0.020 . 2 . . . . 54 ILE HG12 . 16689 1 687 . 1 1 54 54 ILE HG13 H 1 0.788 0.020 . 2 . . . . 54 ILE HG13 . 16689 1 688 . 1 1 54 54 ILE HG21 H 1 0.596 0.020 . 1 . . . . 54 ILE HG2 . 16689 1 689 . 1 1 54 54 ILE HG22 H 1 0.596 0.020 . 1 . . . . 54 ILE HG2 . 16689 1 690 . 1 1 54 54 ILE HG23 H 1 0.596 0.020 . 1 . . . . 54 ILE HG2 . 16689 1 691 . 1 1 54 54 ILE C C 13 172.891 0.3 . 1 . . . . 54 ILE C . 16689 1 692 . 1 1 54 54 ILE CA C 13 60.165 0.3 . 1 . . . . 54 ILE CA . 16689 1 693 . 1 1 54 54 ILE CB C 13 39.798 0.3 . 1 . . . . 54 ILE CB . 16689 1 694 . 1 1 54 54 ILE CD1 C 13 12.962 0.3 . 1 . . . . 54 ILE CD1 . 16689 1 695 . 1 1 54 54 ILE CG1 C 13 27.230 0.3 . 1 . . . . 54 ILE CG1 . 16689 1 696 . 1 1 54 54 ILE CG2 C 13 17.350 0.3 . 1 . . . . 54 ILE CG2 . 16689 1 697 . 1 1 54 54 ILE N N 15 131.393 0.3 . 1 . . . . 54 ILE N . 16689 1 698 . 1 1 55 55 LYS H H 1 8.391 0.020 . 1 . . . . 55 LYS H . 16689 1 699 . 1 1 55 55 LYS HA H 1 4.340 0.020 . 1 . . . . 55 LYS HA . 16689 1 700 . 1 1 55 55 LYS HB2 H 1 1.596 0.020 . 2 . . . . 55 LYS HB2 . 16689 1 701 . 1 1 55 55 LYS HB3 H 1 1.426 0.020 . 2 . . . . 55 LYS HB3 . 16689 1 702 . 1 1 55 55 LYS HD2 H 1 1.572 0.020 . 1 . . . . 55 LYS HD2 . 16689 1 703 . 1 1 55 55 LYS HD3 H 1 1.572 0.020 . 1 . . . . 55 LYS HD3 . 16689 1 704 . 1 1 55 55 LYS HE2 H 1 2.394 0.020 . 2 . . . . 55 LYS HE2 . 16689 1 705 . 1 1 55 55 LYS HE3 H 1 2.382 0.020 . 2 . . . . 55 LYS HE3 . 16689 1 706 . 1 1 55 55 LYS HG2 H 1 1.428 0.020 . 2 . . . . 55 LYS HG2 . 16689 1 707 . 1 1 55 55 LYS HG3 H 1 1.401 0.020 . 2 . . . . 55 LYS HG3 . 16689 1 708 . 1 1 55 55 LYS C C 13 174.504 0.3 . 1 . . . . 55 LYS C . 16689 1 709 . 1 1 55 55 LYS CA C 13 55.060 0.3 . 1 . . . . 55 LYS CA . 16689 1 710 . 1 1 55 55 LYS CB C 13 35.047 0.3 . 1 . . . . 55 LYS CB . 16689 1 711 . 1 1 55 55 LYS CD C 13 28.843 0.3 . 1 . . . . 55 LYS CD . 16689 1 712 . 1 1 55 55 LYS CE C 13 40.164 0.3 . 1 . . . . 55 LYS CE . 16689 1 713 . 1 1 55 55 LYS CG C 13 26.688 0.3 . 1 . . . . 55 LYS CG . 16689 1 714 . 1 1 55 55 LYS N N 15 128.385 0.3 . 1 . . . . 55 LYS N . 16689 1 715 . 1 1 56 56 ASN H H 1 8.968 0.020 . 1 . . . . 56 ASN H . 16689 1 716 . 1 1 56 56 ASN HA H 1 4.758 0.020 . 1 . . . . 56 ASN HA . 16689 1 717 . 1 1 56 56 ASN HB2 H 1 2.416 0.020 . 2 . . . . 56 ASN HB2 . 16689 1 718 . 1 1 56 56 ASN HB3 H 1 1.354 0.020 . 2 . . . . 56 ASN HB3 . 16689 1 719 . 1 1 56 56 ASN HD21 H 1 6.966 0.020 . 2 . . . . 56 ASN HD21 . 16689 1 720 . 1 1 56 56 ASN HD22 H 1 5.503 0.020 . 2 . . . . 56 ASN HD22 . 16689 1 721 . 1 1 56 56 ASN C C 13 173.134 0.3 . 1 . . . . 56 ASN C . 16689 1 722 . 1 1 56 56 ASN CA C 13 51.706 0.3 . 1 . . . . 56 ASN CA . 16689 1 723 . 1 1 56 56 ASN CB C 13 41.902 0.3 . 1 . . . . 56 ASN CB . 16689 1 724 . 1 1 56 56 ASN CG C 13 174.756 0.3 . 1 . . . . 56 ASN CG . 16689 1 725 . 1 1 56 56 ASN N N 15 125.195 0.3 . 1 . . . . 56 ASN N . 16689 1 726 . 1 1 56 56 ASN ND2 N 15 105.425 0.3 . 1 . . . . 56 ASN ND2 . 16689 1 727 . 1 1 57 57 HIS H H 1 7.929 0.020 . 1 . . . . 57 HIS H . 16689 1 728 . 1 1 57 57 HIS HA H 1 3.906 0.020 . 1 . . . . 57 HIS HA . 16689 1 729 . 1 1 57 57 HIS HB2 H 1 3.290 0.020 . 2 . . . . 57 HIS HB2 . 16689 1 730 . 1 1 57 57 HIS HB3 H 1 2.258 0.020 . 2 . . . . 57 HIS HB3 . 16689 1 731 . 1 1 57 57 HIS HD1 H 1 11.315 0.020 . 1 . . . . 57 HIS HD1 . 16689 1 732 . 1 1 57 57 HIS HD2 H 1 7.167 0.020 . 1 . . . . 57 HIS HD2 . 16689 1 733 . 1 1 57 57 HIS HE1 H 1 7.735 0.020 . 1 . . . . 57 HIS HE1 . 16689 1 734 . 1 1 57 57 HIS C C 13 174.432 0.3 . 1 . . . . 57 HIS C . 16689 1 735 . 1 1 57 57 HIS CA C 13 57.515 0.3 . 1 . . . . 57 HIS CA . 16689 1 736 . 1 1 57 57 HIS CB C 13 27.440 0.3 . 1 . . . . 57 HIS CB . 16689 1 737 . 1 1 57 57 HIS CE1 C 13 136.684 0.3 . 1 . . . . 57 HIS CE1 . 16689 1 738 . 1 1 57 57 HIS N N 15 129.409 0.3 . 1 . . . . 57 HIS N . 16689 1 739 . 1 1 57 57 HIS ND1 N 15 203.283 0.3 . 1 . . . . 57 HIS ND1 . 16689 1 740 . 1 1 58 58 VAL H H 1 6.821 0.020 . 1 . . . . 58 VAL H . 16689 1 741 . 1 1 58 58 VAL HA H 1 4.660 0.020 . 1 . . . . 58 VAL HA . 16689 1 742 . 1 1 58 58 VAL HB H 1 1.236 0.020 . 1 . . . . 58 VAL HB . 16689 1 743 . 1 1 58 58 VAL HG11 H 1 0.560 0.020 . 2 . . . . 58 VAL HG1 . 16689 1 744 . 1 1 58 58 VAL HG12 H 1 0.560 0.020 . 2 . . . . 58 VAL HG1 . 16689 1 745 . 1 1 58 58 VAL HG13 H 1 0.560 0.020 . 2 . . . . 58 VAL HG1 . 16689 1 746 . 1 1 58 58 VAL HG21 H 1 0.053 0.020 . 2 . . . . 58 VAL HG2 . 16689 1 747 . 1 1 58 58 VAL HG22 H 1 0.053 0.020 . 2 . . . . 58 VAL HG2 . 16689 1 748 . 1 1 58 58 VAL HG23 H 1 0.053 0.020 . 2 . . . . 58 VAL HG2 . 16689 1 749 . 1 1 58 58 VAL C C 13 174.605 0.3 . 1 . . . . 58 VAL C . 16689 1 750 . 1 1 58 58 VAL CA C 13 58.345 0.3 . 1 . . . . 58 VAL CA . 16689 1 751 . 1 1 58 58 VAL CB C 13 33.521 0.3 . 1 . . . . 58 VAL CB . 16689 1 752 . 1 1 58 58 VAL CG1 C 13 20.441 0.3 . 2 . . . . 58 VAL CG1 . 16689 1 753 . 1 1 58 58 VAL CG2 C 13 17.262 0.3 . 2 . . . . 58 VAL CG2 . 16689 1 754 . 1 1 58 58 VAL N N 15 117.194 0.3 . 1 . . . . 58 VAL N . 16689 1 755 . 1 1 59 59 ASN H H 1 8.442 0.020 . 1 . . . . 59 ASN H . 16689 1 756 . 1 1 59 59 ASN HA H 1 4.832 0.020 . 1 . . . . 59 ASN HA . 16689 1 757 . 1 1 59 59 ASN HB2 H 1 3.297 0.020 . 2 . . . . 59 ASN HB2 . 16689 1 758 . 1 1 59 59 ASN HB3 H 1 2.350 0.020 . 2 . . . . 59 ASN HB3 . 16689 1 759 . 1 1 59 59 ASN HD21 H 1 6.759 0.020 . 2 . . . . 59 ASN HD21 . 16689 1 760 . 1 1 59 59 ASN HD22 H 1 6.187 0.020 . 2 . . . . 59 ASN HD22 . 16689 1 761 . 1 1 59 59 ASN C C 13 176.193 0.3 . 1 . . . . 59 ASN C . 16689 1 762 . 1 1 59 59 ASN CA C 13 50.407 0.3 . 1 . . . . 59 ASN CA . 16689 1 763 . 1 1 59 59 ASN CB C 13 38.378 0.3 . 1 . . . . 59 ASN CB . 16689 1 764 . 1 1 59 59 ASN CG C 13 177.366 0.3 . 1 . . . . 59 ASN CG . 16689 1 765 . 1 1 59 59 ASN N N 15 115.050 0.3 . 1 . . . . 59 ASN N . 16689 1 766 . 1 1 59 59 ASN ND2 N 15 107.510 0.3 . 1 . . . . 59 ASN ND2 . 16689 1 767 . 1 1 60 60 PHE H H 1 6.145 0.020 . 1 . . . . 60 PHE H . 16689 1 768 . 1 1 60 60 PHE HA H 1 4.825 0.020 . 1 . . . . 60 PHE HA . 16689 1 769 . 1 1 60 60 PHE HB2 H 1 3.697 0.020 . 2 . . . . 60 PHE HB2 . 16689 1 770 . 1 1 60 60 PHE HB3 H 1 2.734 0.020 . 2 . . . . 60 PHE HB3 . 16689 1 771 . 1 1 60 60 PHE HD1 H 1 6.975 0.020 . 1 . . . . 60 PHE HD1 . 16689 1 772 . 1 1 60 60 PHE HD2 H 1 6.975 0.020 . 1 . . . . 60 PHE HD2 . 16689 1 773 . 1 1 60 60 PHE HE1 H 1 6.602 0.020 . 1 . . . . 60 PHE HE1 . 16689 1 774 . 1 1 60 60 PHE HE2 H 1 6.602 0.020 . 1 . . . . 60 PHE HE2 . 16689 1 775 . 1 1 60 60 PHE C C 13 176.730 0.3 . 1 . . . . 60 PHE C . 16689 1 776 . 1 1 60 60 PHE CA C 13 53.926 0.3 . 1 . . . . 60 PHE CA . 16689 1 777 . 1 1 60 60 PHE CB C 13 38.416 0.3 . 1 . . . . 60 PHE CB . 16689 1 778 . 1 1 60 60 PHE CD1 C 13 130.848 0.3 . 1 . . . . 60 PHE CD1 . 16689 1 779 . 1 1 60 60 PHE CD2 C 13 130.848 0.3 . 1 . . . . 60 PHE CD2 . 16689 1 780 . 1 1 60 60 PHE CE1 C 13 127.680 0.3 . 1 . . . . 60 PHE CE1 . 16689 1 781 . 1 1 60 60 PHE CE2 C 13 127.680 0.3 . 1 . . . . 60 PHE CE2 . 16689 1 782 . 1 1 60 60 PHE N N 15 108.368 0.3 . 1 . . . . 60 PHE N . 16689 1 783 . 1 1 61 61 LEU H H 1 8.454 0.020 . 1 . . . . 61 LEU H . 16689 1 784 . 1 1 61 61 LEU HA H 1 4.029 0.020 . 1 . . . . 61 LEU HA . 16689 1 785 . 1 1 61 61 LEU HB2 H 1 1.555 0.020 . 1 . . . . 61 LEU HB2 . 16689 1 786 . 1 1 61 61 LEU HB3 H 1 1.203 0.020 . 1 . . . . 61 LEU HB3 . 16689 1 787 . 1 1 61 61 LEU HD11 H 1 0.758 0.020 . 2 . . . . 61 LEU HD1 . 16689 1 788 . 1 1 61 61 LEU HD12 H 1 0.758 0.020 . 2 . . . . 61 LEU HD1 . 16689 1 789 . 1 1 61 61 LEU HD13 H 1 0.758 0.020 . 2 . . . . 61 LEU HD1 . 16689 1 790 . 1 1 61 61 LEU HD21 H 1 0.791 0.020 . 2 . . . . 61 LEU HD2 . 16689 1 791 . 1 1 61 61 LEU HD22 H 1 0.791 0.020 . 2 . . . . 61 LEU HD2 . 16689 1 792 . 1 1 61 61 LEU HD23 H 1 0.791 0.020 . 2 . . . . 61 LEU HD2 . 16689 1 793 . 1 1 61 61 LEU HG H 1 1.687 0.020 . 1 . . . . 61 LEU HG . 16689 1 794 . 1 1 61 61 LEU C C 13 178.309 0.3 . 1 . . . . 61 LEU C . 16689 1 795 . 1 1 61 61 LEU CA C 13 56.959 0.3 . 1 . . . . 61 LEU CA . 16689 1 796 . 1 1 61 61 LEU CB C 13 41.748 0.3 . 1 . . . . 61 LEU CB . 16689 1 797 . 1 1 61 61 LEU CD1 C 13 24.122 0.3 . 1 . . . . 61 LEU CD1 . 16689 1 798 . 1 1 61 61 LEU CD2 C 13 24.317 0.3 . 1 . . . . 61 LEU CD2 . 16689 1 799 . 1 1 61 61 LEU CG C 13 29.175 0.3 . 1 . . . . 61 LEU CG . 16689 1 800 . 1 1 61 61 LEU N N 15 126.708 0.3 . 1 . . . . 61 LEU N . 16689 1 801 . 1 1 62 62 GLY H H 1 8.477 0.020 . 1 . . . . 62 GLY H . 16689 1 802 . 1 1 62 62 GLY HA2 H 1 4.101 0.020 . 2 . . . . 62 GLY HA2 . 16689 1 803 . 1 1 62 62 GLY HA3 H 1 3.634 0.020 . 2 . . . . 62 GLY HA3 . 16689 1 804 . 1 1 62 62 GLY C C 13 174.801 0.3 . 1 . . . . 62 GLY C . 16689 1 805 . 1 1 62 62 GLY CA C 13 44.721 0.3 . 1 . . . . 62 GLY CA . 16689 1 806 . 1 1 62 62 GLY N N 15 108.153 0.3 . 1 . . . . 62 GLY N . 16689 1 807 . 1 1 63 63 GLY H H 1 8.289 0.020 . 1 . . . . 63 GLY H . 16689 1 808 . 1 1 63 63 GLY HA2 H 1 3.990 0.020 . 2 . . . . 63 GLY HA2 . 16689 1 809 . 1 1 63 63 GLY HA3 H 1 3.492 0.020 . 2 . . . . 63 GLY HA3 . 16689 1 810 . 1 1 63 63 GLY C C 13 172.963 0.3 . 1 . . . . 63 GLY C . 16689 1 811 . 1 1 63 63 GLY CA C 13 45.488 0.3 . 1 . . . . 63 GLY CA . 16689 1 812 . 1 1 63 63 GLY N N 15 108.056 0.3 . 1 . . . . 63 GLY N . 16689 1 813 . 1 1 64 64 VAL H H 1 6.934 0.020 . 1 . . . . 64 VAL H . 16689 1 814 . 1 1 64 64 VAL HA H 1 4.051 0.020 . 1 . . . . 64 VAL HA . 16689 1 815 . 1 1 64 64 VAL HB H 1 1.407 0.020 . 1 . . . . 64 VAL HB . 16689 1 816 . 1 1 64 64 VAL HG11 H 1 0.425 0.020 . 2 . . . . 64 VAL HG1 . 16689 1 817 . 1 1 64 64 VAL HG12 H 1 0.425 0.020 . 2 . . . . 64 VAL HG1 . 16689 1 818 . 1 1 64 64 VAL HG13 H 1 0.425 0.020 . 2 . . . . 64 VAL HG1 . 16689 1 819 . 1 1 64 64 VAL HG21 H 1 0.190 0.020 . 2 . . . . 64 VAL HG2 . 16689 1 820 . 1 1 64 64 VAL HG22 H 1 0.190 0.020 . 2 . . . . 64 VAL HG2 . 16689 1 821 . 1 1 64 64 VAL HG23 H 1 0.190 0.020 . 2 . . . . 64 VAL HG2 . 16689 1 822 . 1 1 64 64 VAL C C 13 175.212 0.3 . 1 . . . . 64 VAL C . 16689 1 823 . 1 1 64 64 VAL CA C 13 59.640 0.3 . 1 . . . . 64 VAL CA . 16689 1 824 . 1 1 64 64 VAL CB C 13 34.285 0.3 . 1 . . . . 64 VAL CB . 16689 1 825 . 1 1 64 64 VAL CG1 C 13 20.557 0.3 . 2 . . . . 64 VAL CG1 . 16689 1 826 . 1 1 64 64 VAL CG2 C 13 19.152 0.3 . 2 . . . . 64 VAL CG2 . 16689 1 827 . 1 1 64 64 VAL N N 15 117.248 0.3 . 1 . . . . 64 VAL N . 16689 1 828 . 1 1 65 65 SER H H 1 8.890 0.020 . 1 . . . . 65 SER H . 16689 1 829 . 1 1 65 65 SER HA H 1 4.577 0.020 . 1 . . . . 65 SER HA . 16689 1 830 . 1 1 65 65 SER HB2 H 1 4.303 0.020 . 2 . . . . 65 SER HB2 . 16689 1 831 . 1 1 65 65 SER HB3 H 1 4.017 0.020 . 2 . . . . 65 SER HB3 . 16689 1 832 . 1 1 65 65 SER CA C 13 57.185 0.3 . 1 . . . . 65 SER CA . 16689 1 833 . 1 1 65 65 SER CB C 13 62.823 0.3 . 1 . . . . 65 SER CB . 16689 1 834 . 1 1 65 65 SER N N 15 122.847 0.3 . 1 . . . . 65 SER N . 16689 1 835 . 1 1 66 66 PRO HA H 1 4.427 0.020 . 1 . . . . 66 PRO HA . 16689 1 836 . 1 1 66 66 PRO HB2 H 1 2.429 0.020 . 2 . . . . 66 PRO HB2 . 16689 1 837 . 1 1 66 66 PRO HB3 H 1 1.909 0.020 . 2 . . . . 66 PRO HB3 . 16689 1 838 . 1 1 66 66 PRO HD2 H 1 3.968 0.020 . 2 . . . . 66 PRO HD2 . 16689 1 839 . 1 1 66 66 PRO HD3 H 1 3.897 0.020 . 2 . . . . 66 PRO HD3 . 16689 1 840 . 1 1 66 66 PRO HG2 H 1 2.122 0.020 . 2 . . . . 66 PRO HG2 . 16689 1 841 . 1 1 66 66 PRO HG3 H 1 2.084 0.020 . 2 . . . . 66 PRO HG3 . 16689 1 842 . 1 1 66 66 PRO C C 13 179.192 0.3 . 1 . . . . 66 PRO C . 16689 1 843 . 1 1 66 66 PRO CA C 13 65.538 0.3 . 1 . . . . 66 PRO CA . 16689 1 844 . 1 1 66 66 PRO CB C 13 31.547 0.3 . 1 . . . . 66 PRO CB . 16689 1 845 . 1 1 66 66 PRO CD C 13 50.821 0.3 . 1 . . . . 66 PRO CD . 16689 1 846 . 1 1 66 66 PRO CG C 13 27.698 0.3 . 1 . . . . 66 PRO CG . 16689 1 847 . 1 1 67 67 GLN H H 1 8.160 0.020 . 1 . . . . 67 GLN H . 16689 1 848 . 1 1 67 67 GLN HA H 1 4.020 0.020 . 1 . . . . 67 GLN HA . 16689 1 849 . 1 1 67 67 GLN HB2 H 1 2.125 0.020 . 2 . . . . 67 GLN HB2 . 16689 1 850 . 1 1 67 67 GLN HB3 H 1 1.928 0.020 . 2 . . . . 67 GLN HB3 . 16689 1 851 . 1 1 67 67 GLN HE21 H 1 6.969 0.020 . 2 . . . . 67 GLN HE21 . 16689 1 852 . 1 1 67 67 GLN HE22 H 1 7.462 0.020 . 2 . . . . 67 GLN HE22 . 16689 1 853 . 1 1 67 67 GLN HG2 H 1 2.396 0.020 . 2 . . . . 67 GLN HG2 . 16689 1 854 . 1 1 67 67 GLN HG3 H 1 2.305 0.020 . 2 . . . . 67 GLN HG3 . 16689 1 855 . 1 1 67 67 GLN C C 13 177.840 0.3 . 1 . . . . 67 GLN C . 16689 1 856 . 1 1 67 67 GLN CA C 13 58.885 0.3 . 1 . . . . 67 GLN CA . 16689 1 857 . 1 1 67 67 GLN CB C 13 28.098 0.3 . 1 . . . . 67 GLN CB . 16689 1 858 . 1 1 67 67 GLN CD C 13 180.578 0.3 . 1 . . . . 67 GLN CD . 16689 1 859 . 1 1 67 67 GLN CG C 13 34.064 0.3 . 1 . . . . 67 GLN CG . 16689 1 860 . 1 1 67 67 GLN N N 15 117.211 0.3 . 1 . . . . 67 GLN N . 16689 1 861 . 1 1 67 67 GLN NE2 N 15 114.090 0.3 . 1 . . . . 67 GLN NE2 . 16689 1 862 . 1 1 68 68 THR H H 1 7.676 0.020 . 1 . . . . 68 THR H . 16689 1 863 . 1 1 68 68 THR HA H 1 4.036 0.020 . 1 . . . . 68 THR HA . 16689 1 864 . 1 1 68 68 THR HB H 1 4.280 0.020 . 1 . . . . 68 THR HB . 16689 1 865 . 1 1 68 68 THR HG21 H 1 1.332 0.020 . 1 . . . . 68 THR HG2 . 16689 1 866 . 1 1 68 68 THR HG22 H 1 1.332 0.020 . 1 . . . . 68 THR HG2 . 16689 1 867 . 1 1 68 68 THR HG23 H 1 1.332 0.020 . 1 . . . . 68 THR HG2 . 16689 1 868 . 1 1 68 68 THR C C 13 176.764 0.3 . 1 . . . . 68 THR C . 16689 1 869 . 1 1 68 68 THR CA C 13 66.530 0.3 . 1 . . . . 68 THR CA . 16689 1 870 . 1 1 68 68 THR CB C 13 68.846 0.3 . 1 . . . . 68 THR CB . 16689 1 871 . 1 1 68 68 THR CG2 C 13 23.713 0.3 . 1 . . . . 68 THR CG2 . 16689 1 872 . 1 1 68 68 THR N N 15 118.291 0.3 . 1 . . . . 68 THR N . 16689 1 873 . 1 1 69 69 GLN H H 1 7.549 0.020 . 1 . . . . 69 GLN H . 16689 1 874 . 1 1 69 69 GLN HA H 1 4.117 0.020 . 1 . . . . 69 GLN HA . 16689 1 875 . 1 1 69 69 GLN HB2 H 1 2.152 0.020 . 2 . . . . 69 GLN HB2 . 16689 1 876 . 1 1 69 69 GLN HB3 H 1 2.222 0.020 . 2 . . . . 69 GLN HB3 . 16689 1 877 . 1 1 69 69 GLN HE21 H 1 6.098 0.020 . 2 . . . . 69 GLN HE21 . 16689 1 878 . 1 1 69 69 GLN HE22 H 1 7.396 0.020 . 2 . . . . 69 GLN HE22 . 16689 1 879 . 1 1 69 69 GLN HG2 H 1 2.366 0.020 . 2 . . . . 69 GLN HG2 . 16689 1 880 . 1 1 69 69 GLN HG3 H 1 2.216 0.020 . 2 . . . . 69 GLN HG3 . 16689 1 881 . 1 1 69 69 GLN C C 13 178.283 0.3 . 1 . . . . 69 GLN C . 16689 1 882 . 1 1 69 69 GLN CA C 13 60.980 0.3 . 1 . . . . 69 GLN CA . 16689 1 883 . 1 1 69 69 GLN CB C 13 29.305 0.3 . 1 . . . . 69 GLN CB . 16689 1 884 . 1 1 69 69 GLN CD C 13 178.548 0.3 . 1 . . . . 69 GLN CD . 16689 1 885 . 1 1 69 69 GLN CG C 13 35.605 0.3 . 1 . . . . 69 GLN CG . 16689 1 886 . 1 1 69 69 GLN N N 15 119.152 0.3 . 1 . . . . 69 GLN N . 16689 1 887 . 1 1 69 69 GLN NE2 N 15 118.017 0.3 . 1 . . . . 69 GLN NE2 . 16689 1 888 . 1 1 70 70 SER H H 1 8.893 0.020 . 1 . . . . 70 SER H . 16689 1 889 . 1 1 70 70 SER HA H 1 4.473 0.020 . 1 . . . . 70 SER HA . 16689 1 890 . 1 1 70 70 SER HB2 H 1 3.935 0.020 . 2 . . . . 70 SER HB2 . 16689 1 891 . 1 1 70 70 SER HB3 H 1 3.794 0.020 . 2 . . . . 70 SER HB3 . 16689 1 892 . 1 1 70 70 SER CA C 13 63.045 0.3 . 1 . . . . 70 SER CA . 16689 1 893 . 1 1 70 70 SER CB C 13 63.303 0.3 . 1 . . . . 70 SER CB . 16689 1 894 . 1 1 70 70 SER N N 15 117.456 0.3 . 1 . . . . 70 SER N . 16689 1 895 . 1 1 71 71 ASN H H 1 8.379 0.020 . 1 . . . . 71 ASN H . 16689 1 896 . 1 1 71 71 ASN HA H 1 4.636 0.020 . 1 . . . . 71 ASN HA . 16689 1 897 . 1 1 71 71 ASN HB2 H 1 3.175 0.020 . 2 . . . . 71 ASN HB2 . 16689 1 898 . 1 1 71 71 ASN HB3 H 1 2.387 0.020 . 2 . . . . 71 ASN HB3 . 16689 1 899 . 1 1 71 71 ASN HD21 H 1 6.769 0.020 . 2 . . . . 71 ASN HD21 . 16689 1 900 . 1 1 71 71 ASN HD22 H 1 8.289 0.020 . 2 . . . . 71 ASN HD22 . 16689 1 901 . 1 1 71 71 ASN C C 13 178.025 0.3 . 1 . . . . 71 ASN C . 16689 1 902 . 1 1 71 71 ASN CA C 13 55.545 0.3 . 1 . . . . 71 ASN CA . 16689 1 903 . 1 1 71 71 ASN CB C 13 36.537 0.3 . 1 . . . . 71 ASN CB . 16689 1 904 . 1 1 71 71 ASN N N 15 121.494 0.3 . 1 . . . . 71 ASN N . 16689 1 905 . 1 1 71 71 ASN ND2 N 15 110.641 0.3 . 1 . . . . 71 ASN ND2 . 16689 1 906 . 1 1 72 72 LEU H H 1 7.446 0.020 . 1 . . . . 72 LEU H . 16689 1 907 . 1 1 72 72 LEU HA H 1 4.057 0.020 . 1 . . . . 72 LEU HA . 16689 1 908 . 1 1 72 72 LEU HB2 H 1 2.137 0.020 . 2 . . . . 72 LEU HB2 . 16689 1 909 . 1 1 72 72 LEU HB3 H 1 1.164 0.020 . 2 . . . . 72 LEU HB3 . 16689 1 910 . 1 1 72 72 LEU HD11 H 1 0.627 0.020 . 2 . . . . 72 LEU HD1 . 16689 1 911 . 1 1 72 72 LEU HD12 H 1 0.627 0.020 . 2 . . . . 72 LEU HD1 . 16689 1 912 . 1 1 72 72 LEU HD13 H 1 0.627 0.020 . 2 . . . . 72 LEU HD1 . 16689 1 913 . 1 1 72 72 LEU HD21 H 1 0.520 0.020 . 2 . . . . 72 LEU HD2 . 16689 1 914 . 1 1 72 72 LEU HD22 H 1 0.520 0.020 . 2 . . . . 72 LEU HD2 . 16689 1 915 . 1 1 72 72 LEU HD23 H 1 0.520 0.020 . 2 . . . . 72 LEU HD2 . 16689 1 916 . 1 1 72 72 LEU HG H 1 1.928 0.020 . 1 . . . . 72 LEU HG . 16689 1 917 . 1 1 72 72 LEU C C 13 179.281 0.3 . 1 . . . . 72 LEU C . 16689 1 918 . 1 1 72 72 LEU CA C 13 57.600 0.3 . 1 . . . . 72 LEU CA . 16689 1 919 . 1 1 72 72 LEU CB C 13 40.476 0.3 . 1 . . . . 72 LEU CB . 16689 1 920 . 1 1 72 72 LEU CD1 C 13 27.544 0.3 . 2 . . . . 72 LEU CD1 . 16689 1 921 . 1 1 72 72 LEU CD2 C 13 23.981 0.3 . 2 . . . . 72 LEU CD2 . 16689 1 922 . 1 1 72 72 LEU CG C 13 26.827 0.3 . 1 . . . . 72 LEU CG . 16689 1 923 . 1 1 72 72 LEU N N 15 118.783 0.3 . 1 . . . . 72 LEU N . 16689 1 924 . 1 1 73 73 SER H H 1 8.052 0.020 . 1 . . . . 73 SER H . 16689 1 925 . 1 1 73 73 SER HA H 1 4.488 0.020 . 1 . . . . 73 SER HA . 16689 1 926 . 1 1 73 73 SER HB2 H 1 3.984 0.020 . 2 . . . . 73 SER HB2 . 16689 1 927 . 1 1 73 73 SER HB3 H 1 3.932 0.020 . 2 . . . . 73 SER HB3 . 16689 1 928 . 1 1 73 73 SER CA C 13 63.089 0.3 . 1 . . . . 73 SER CA . 16689 1 929 . 1 1 73 73 SER CB C 13 62.454 0.3 . 1 . . . . 73 SER CB . 16689 1 930 . 1 1 73 73 SER N N 15 117.552 0.3 . 1 . . . . 73 SER N . 16689 1 931 . 1 1 74 74 LEU H H 1 8.416 0.020 . 1 . . . . 74 LEU H . 16689 1 932 . 1 1 74 74 LEU HA H 1 3.922 0.020 . 1 . . . . 74 LEU HA . 16689 1 933 . 1 1 74 74 LEU HB2 H 1 2.278 0.020 . 2 . . . . 74 LEU HB2 . 16689 1 934 . 1 1 74 74 LEU HB3 H 1 1.180 0.020 . 2 . . . . 74 LEU HB3 . 16689 1 935 . 1 1 74 74 LEU HD11 H 1 0.896 0.020 . 2 . . . . 74 LEU HD1 . 16689 1 936 . 1 1 74 74 LEU HD12 H 1 0.896 0.020 . 2 . . . . 74 LEU HD1 . 16689 1 937 . 1 1 74 74 LEU HD13 H 1 0.896 0.020 . 2 . . . . 74 LEU HD1 . 16689 1 938 . 1 1 74 74 LEU HD21 H 1 0.717 0.020 . 2 . . . . 74 LEU HD2 . 16689 1 939 . 1 1 74 74 LEU HD22 H 1 0.717 0.020 . 2 . . . . 74 LEU HD2 . 16689 1 940 . 1 1 74 74 LEU HD23 H 1 0.717 0.020 . 2 . . . . 74 LEU HD2 . 16689 1 941 . 1 1 74 74 LEU HG H 1 1.806 0.020 . 1 . . . . 74 LEU HG . 16689 1 942 . 1 1 74 74 LEU C C 13 178.370 0.3 . 1 . . . . 74 LEU C . 16689 1 943 . 1 1 74 74 LEU CA C 13 58.048 0.3 . 1 . . . . 74 LEU CA . 16689 1 944 . 1 1 74 74 LEU CB C 13 41.182 0.3 . 1 . . . . 74 LEU CB . 16689 1 945 . 1 1 74 74 LEU CD1 C 13 25.254 0.3 . 2 . . . . 74 LEU CD1 . 16689 1 946 . 1 1 74 74 LEU CD2 C 13 22.990 0.3 . 2 . . . . 74 LEU CD2 . 16689 1 947 . 1 1 74 74 LEU CG C 13 26.885 0.3 . 1 . . . . 74 LEU CG . 16689 1 948 . 1 1 74 74 LEU N N 15 119.691 0.3 . 1 . . . . 74 LEU N . 16689 1 949 . 1 1 75 75 ALA H H 1 8.362 0.020 . 1 . . . . 75 ALA H . 16689 1 950 . 1 1 75 75 ALA HA H 1 3.904 0.020 . 1 . . . . 75 ALA HA . 16689 1 951 . 1 1 75 75 ALA HB1 H 1 1.447 0.020 . 1 . . . . 75 ALA HB . 16689 1 952 . 1 1 75 75 ALA HB2 H 1 1.447 0.020 . 1 . . . . 75 ALA HB . 16689 1 953 . 1 1 75 75 ALA HB3 H 1 1.447 0.020 . 1 . . . . 75 ALA HB . 16689 1 954 . 1 1 75 75 ALA C C 13 178.510 0.3 . 1 . . . . 75 ALA C . 16689 1 955 . 1 1 75 75 ALA CA C 13 55.763 0.3 . 1 . . . . 75 ALA CA . 16689 1 956 . 1 1 75 75 ALA CB C 13 18.879 0.3 . 1 . . . . 75 ALA CB . 16689 1 957 . 1 1 75 75 ALA N N 15 120.466 0.3 . 1 . . . . 75 ALA N . 16689 1 958 . 1 1 76 76 TYR H H 1 8.380 0.020 . 1 . . . . 76 TYR H . 16689 1 959 . 1 1 76 76 TYR HA H 1 3.810 0.020 . 1 . . . . 76 TYR HA . 16689 1 960 . 1 1 76 76 TYR HB2 H 1 3.442 0.020 . 2 . . . . 76 TYR HB2 . 16689 1 961 . 1 1 76 76 TYR HB3 H 1 3.064 0.020 . 2 . . . . 76 TYR HB3 . 16689 1 962 . 1 1 76 76 TYR HD1 H 1 7.073 0.020 . 1 . . . . 76 TYR HD1 . 16689 1 963 . 1 1 76 76 TYR HD2 H 1 7.073 0.020 . 1 . . . . 76 TYR HD2 . 16689 1 964 . 1 1 76 76 TYR HE1 H 1 6.835 0.020 . 1 . . . . 76 TYR HE1 . 16689 1 965 . 1 1 76 76 TYR HE2 H 1 6.835 0.020 . 1 . . . . 76 TYR HE2 . 16689 1 966 . 1 1 76 76 TYR C C 13 176.114 0.3 . 1 . . . . 76 TYR C . 16689 1 967 . 1 1 76 76 TYR CA C 13 62.357 0.3 . 1 . . . . 76 TYR CA . 16689 1 968 . 1 1 76 76 TYR CB C 13 38.050 0.3 . 1 . . . . 76 TYR CB . 16689 1 969 . 1 1 76 76 TYR CD1 C 13 132.291 0.3 . 1 . . . . 76 TYR CD1 . 16689 1 970 . 1 1 76 76 TYR CD2 C 13 132.291 0.3 . 1 . . . . 76 TYR CD2 . 16689 1 971 . 1 1 76 76 TYR CE1 C 13 117.845 0.3 . 1 . . . . 76 TYR CE1 . 16689 1 972 . 1 1 76 76 TYR CE2 C 13 117.845 0.3 . 1 . . . . 76 TYR CE2 . 16689 1 973 . 1 1 76 76 TYR N N 15 117.567 0.3 . 1 . . . . 76 TYR N . 16689 1 974 . 1 1 77 77 LEU H H 1 8.168 0.020 . 1 . . . . 77 LEU H . 16689 1 975 . 1 1 77 77 LEU HA H 1 3.742 0.020 . 1 . . . . 77 LEU HA . 16689 1 976 . 1 1 77 77 LEU HB2 H 1 2.157 0.020 . 1 . . . . 77 LEU HB2 . 16689 1 977 . 1 1 77 77 LEU HB3 H 1 1.320 0.020 . 1 . . . . 77 LEU HB3 . 16689 1 978 . 1 1 77 77 LEU HD11 H 1 0.932 0.020 . 2 . . . . 77 LEU HD1 . 16689 1 979 . 1 1 77 77 LEU HD12 H 1 0.932 0.020 . 2 . . . . 77 LEU HD1 . 16689 1 980 . 1 1 77 77 LEU HD13 H 1 0.932 0.020 . 2 . . . . 77 LEU HD1 . 16689 1 981 . 1 1 77 77 LEU HD21 H 1 1.002 0.020 . 2 . . . . 77 LEU HD2 . 16689 1 982 . 1 1 77 77 LEU HD22 H 1 1.002 0.020 . 2 . . . . 77 LEU HD2 . 16689 1 983 . 1 1 77 77 LEU HD23 H 1 1.002 0.020 . 2 . . . . 77 LEU HD2 . 16689 1 984 . 1 1 77 77 LEU HG H 1 2.045 0.020 . 1 . . . . 77 LEU HG . 16689 1 985 . 1 1 77 77 LEU C C 13 180.310 0.3 . 1 . . . . 77 LEU C . 16689 1 986 . 1 1 77 77 LEU CA C 13 57.746 0.3 . 1 . . . . 77 LEU CA . 16689 1 987 . 1 1 77 77 LEU CB C 13 42.701 0.3 . 1 . . . . 77 LEU CB . 16689 1 988 . 1 1 77 77 LEU CD1 C 13 26.201 0.3 . 1 . . . . 77 LEU CD1 . 16689 1 989 . 1 1 77 77 LEU CD2 C 13 22.959 0.3 . 1 . . . . 77 LEU CD2 . 16689 1 990 . 1 1 77 77 LEU CG C 13 27.696 0.3 . 1 . . . . 77 LEU CG . 16689 1 991 . 1 1 77 77 LEU N N 15 119.821 0.3 . 1 . . . . 77 LEU N . 16689 1 992 . 1 1 78 78 VAL H H 1 8.908 0.020 . 1 . . . . 78 VAL H . 16689 1 993 . 1 1 78 78 VAL HA H 1 3.424 0.020 . 1 . . . . 78 VAL HA . 16689 1 994 . 1 1 78 78 VAL HB H 1 2.184 0.020 . 1 . . . . 78 VAL HB . 16689 1 995 . 1 1 78 78 VAL HG11 H 1 0.900 0.020 . 2 . . . . 78 VAL HG1 . 16689 1 996 . 1 1 78 78 VAL HG12 H 1 0.900 0.020 . 2 . . . . 78 VAL HG1 . 16689 1 997 . 1 1 78 78 VAL HG13 H 1 0.900 0.020 . 2 . . . . 78 VAL HG1 . 16689 1 998 . 1 1 78 78 VAL HG21 H 1 1.150 0.020 . 2 . . . . 78 VAL HG2 . 16689 1 999 . 1 1 78 78 VAL HG22 H 1 1.150 0.020 . 2 . . . . 78 VAL HG2 . 16689 1 1000 . 1 1 78 78 VAL HG23 H 1 1.150 0.020 . 2 . . . . 78 VAL HG2 . 16689 1 1001 . 1 1 78 78 VAL C C 13 177.462 0.3 . 1 . . . . 78 VAL C . 16689 1 1002 . 1 1 78 78 VAL CA C 13 67.021 0.3 . 1 . . . . 78 VAL CA . 16689 1 1003 . 1 1 78 78 VAL CB C 13 31.849 0.3 . 1 . . . . 78 VAL CB . 16689 1 1004 . 1 1 78 78 VAL CG1 C 13 23.856 0.3 . 2 . . . . 78 VAL CG1 . 16689 1 1005 . 1 1 78 78 VAL CG2 C 13 21.884 0.3 . 2 . . . . 78 VAL CG2 . 16689 1 1006 . 1 1 78 78 VAL N N 15 122.924 0.3 . 1 . . . . 78 VAL N . 16689 1 1007 . 1 1 79 79 ALA H H 1 8.406 0.020 . 1 . . . . 79 ALA H . 16689 1 1008 . 1 1 79 79 ALA HA H 1 3.724 0.020 . 1 . . . . 79 ALA HA . 16689 1 1009 . 1 1 79 79 ALA HB1 H 1 1.173 0.020 . 1 . . . . 79 ALA HB . 16689 1 1010 . 1 1 79 79 ALA HB2 H 1 1.173 0.020 . 1 . . . . 79 ALA HB . 16689 1 1011 . 1 1 79 79 ALA HB3 H 1 1.173 0.020 . 1 . . . . 79 ALA HB . 16689 1 1012 . 1 1 79 79 ALA C C 13 179.922 0.3 . 1 . . . . 79 ALA C . 16689 1 1013 . 1 1 79 79 ALA CA C 13 55.450 0.3 . 1 . . . . 79 ALA CA . 16689 1 1014 . 1 1 79 79 ALA CB C 13 17.816 0.3 . 1 . . . . 79 ALA CB . 16689 1 1015 . 1 1 79 79 ALA N N 15 121.859 0.3 . 1 . . . . 79 ALA N . 16689 1 1016 . 1 1 80 80 LYS H H 1 8.587 0.020 . 1 . . . . 80 LYS H . 16689 1 1017 . 1 1 80 80 LYS HA H 1 3.886 0.020 . 1 . . . . 80 LYS HA . 16689 1 1018 . 1 1 80 80 LYS HB2 H 1 1.770 0.020 . 2 . . . . 80 LYS HB2 . 16689 1 1019 . 1 1 80 80 LYS HB3 H 1 1.285 0.020 . 2 . . . . 80 LYS HB3 . 16689 1 1020 . 1 1 80 80 LYS HD2 H 1 1.642 0.020 . 2 . . . . 80 LYS HD2 . 16689 1 1021 . 1 1 80 80 LYS HD3 H 1 1.521 0.020 . 2 . . . . 80 LYS HD3 . 16689 1 1022 . 1 1 80 80 LYS HE2 H 1 2.997 0.020 . 1 . . . . 80 LYS HE2 . 16689 1 1023 . 1 1 80 80 LYS HE3 H 1 2.997 0.020 . 1 . . . . 80 LYS HE3 . 16689 1 1024 . 1 1 80 80 LYS HG2 H 1 1.270 0.020 . 2 . . . . 80 LYS HG2 . 16689 1 1025 . 1 1 80 80 LYS HG3 H 1 1.134 0.020 . 2 . . . . 80 LYS HG3 . 16689 1 1026 . 1 1 80 80 LYS C C 13 179.578 0.3 . 1 . . . . 80 LYS C . 16689 1 1027 . 1 1 80 80 LYS CA C 13 58.874 0.3 . 1 . . . . 80 LYS CA . 16689 1 1028 . 1 1 80 80 LYS CB C 13 32.137 0.3 . 1 . . . . 80 LYS CB . 16689 1 1029 . 1 1 80 80 LYS CD C 13 29.394 0.3 . 1 . . . . 80 LYS CD . 16689 1 1030 . 1 1 80 80 LYS CE C 13 41.977 0.3 . 1 . . . . 80 LYS CE . 16689 1 1031 . 1 1 80 80 LYS CG C 13 24.235 0.3 . 1 . . . . 80 LYS CG . 16689 1 1032 . 1 1 80 80 LYS N N 15 119.037 0.3 . 1 . . . . 80 LYS N . 16689 1 1033 . 1 1 81 81 LYS H H 1 7.880 0.020 . 1 . . . . 81 LYS H . 16689 1 1034 . 1 1 81 81 LYS HA H 1 3.836 0.020 . 1 . . . . 81 LYS HA . 16689 1 1035 . 1 1 81 81 LYS HB2 H 1 1.939 0.020 . 2 . . . . 81 LYS HB2 . 16689 1 1036 . 1 1 81 81 LYS HB3 H 1 1.722 0.020 . 2 . . . . 81 LYS HB3 . 16689 1 1037 . 1 1 81 81 LYS HD2 H 1 1.303 0.020 . 2 . . . . 81 LYS HD2 . 16689 1 1038 . 1 1 81 81 LYS HD3 H 1 1.205 0.020 . 2 . . . . 81 LYS HD3 . 16689 1 1039 . 1 1 81 81 LYS HE2 H 1 2.620 0.020 . 2 . . . . 81 LYS HE2 . 16689 1 1040 . 1 1 81 81 LYS HE3 H 1 2.755 0.020 . 2 . . . . 81 LYS HE3 . 16689 1 1041 . 1 1 81 81 LYS HG2 H 1 1.118 0.020 . 2 . . . . 81 LYS HG2 . 16689 1 1042 . 1 1 81 81 LYS HG3 H 1 0.295 0.020 . 2 . . . . 81 LYS HG3 . 16689 1 1043 . 1 1 81 81 LYS C C 13 177.179 0.3 . 1 . . . . 81 LYS C . 16689 1 1044 . 1 1 81 81 LYS CA C 13 59.110 0.3 . 1 . . . . 81 LYS CA . 16689 1 1045 . 1 1 81 81 LYS CB C 13 31.730 0.3 . 1 . . . . 81 LYS CB . 16689 1 1046 . 1 1 81 81 LYS CD C 13 29.226 0.3 . 1 . . . . 81 LYS CD . 16689 1 1047 . 1 1 81 81 LYS CE C 13 42.134 0.3 . 1 . . . . 81 LYS CE . 16689 1 1048 . 1 1 81 81 LYS CG C 13 24.746 0.3 . 1 . . . . 81 LYS CG . 16689 1 1049 . 1 1 81 81 LYS N N 15 122.614 0.3 . 1 . . . . 81 LYS N . 16689 1 1050 . 1 1 82 82 HIS H H 1 7.146 0.020 . 1 . . . . 82 HIS H . 16689 1 1051 . 1 1 82 82 HIS HA H 1 4.470 0.020 . 1 . . . . 82 HIS HA . 16689 1 1052 . 1 1 82 82 HIS HB2 H 1 3.557 0.020 . 2 . . . . 82 HIS HB2 . 16689 1 1053 . 1 1 82 82 HIS HB3 H 1 2.585 0.020 . 2 . . . . 82 HIS HB3 . 16689 1 1054 . 1 1 82 82 HIS HD2 H 1 7.504 0.020 . 1 . . . . 82 HIS HD2 . 16689 1 1055 . 1 1 82 82 HIS HE1 H 1 7.719 0.020 . 1 . . . . 82 HIS HE1 . 16689 1 1056 . 1 1 82 82 HIS C C 13 174.609 0.3 . 1 . . . . 82 HIS C . 16689 1 1057 . 1 1 82 82 HIS CA C 13 55.882 0.3 . 1 . . . . 82 HIS CA . 16689 1 1058 . 1 1 82 82 HIS CB C 13 30.099 0.3 . 1 . . . . 82 HIS CB . 16689 1 1059 . 1 1 82 82 HIS CD2 C 13 120.576 0.3 . 1 . . . . 82 HIS CD2 . 16689 1 1060 . 1 1 82 82 HIS CE1 C 13 138.857 0.3 . 1 . . . . 82 HIS CE1 . 16689 1 1061 . 1 1 82 82 HIS N N 15 113.795 0.3 . 1 . . . . 82 HIS N . 16689 1 1062 . 1 1 83 83 GLY H H 1 7.804 0.020 . 1 . . . . 83 GLY H . 16689 1 1063 . 1 1 83 83 GLY HA2 H 1 4.024 0.020 . 2 . . . . 83 GLY HA2 . 16689 1 1064 . 1 1 83 83 GLY HA3 H 1 4.077 0.020 . 2 . . . . 83 GLY HA3 . 16689 1 1065 . 1 1 83 83 GLY C C 13 175.457 0.3 . 1 . . . . 83 GLY C . 16689 1 1066 . 1 1 83 83 GLY CA C 13 46.777 0.3 . 1 . . . . 83 GLY CA . 16689 1 1067 . 1 1 83 83 GLY N N 15 108.719 0.3 . 1 . . . . 83 GLY N . 16689 1 1068 . 1 1 84 84 GLN H H 1 8.237 0.020 . 1 . . . . 84 GLN H . 16689 1 1069 . 1 1 84 84 GLN HA H 1 4.936 0.020 . 1 . . . . 84 GLN HA . 16689 1 1070 . 1 1 84 84 GLN HB2 H 1 2.605 0.020 . 2 . . . . 84 GLN HB2 . 16689 1 1071 . 1 1 84 84 GLN HB3 H 1 1.385 0.020 . 2 . . . . 84 GLN HB3 . 16689 1 1072 . 1 1 84 84 GLN HE21 H 1 6.722 0.020 . 2 . . . . 84 GLN HE21 . 16689 1 1073 . 1 1 84 84 GLN HE22 H 1 7.175 0.020 . 2 . . . . 84 GLN HE22 . 16689 1 1074 . 1 1 84 84 GLN HG2 H 1 2.220 0.020 . 2 . . . . 84 GLN HG2 . 16689 1 1075 . 1 1 84 84 GLN HG3 H 1 2.190 0.020 . 2 . . . . 84 GLN HG3 . 16689 1 1076 . 1 1 84 84 GLN C C 13 175.896 0.3 . 1 . . . . 84 GLN C . 16689 1 1077 . 1 1 84 84 GLN CA C 13 53.733 0.3 . 1 . . . . 84 GLN CA . 16689 1 1078 . 1 1 84 84 GLN CB C 13 30.591 0.3 . 1 . . . . 84 GLN CB . 16689 1 1079 . 1 1 84 84 GLN CD C 13 179.485 0.3 . 1 . . . . 84 GLN CD . 16689 1 1080 . 1 1 84 84 GLN CG C 13 32.909 0.3 . 1 . . . . 84 GLN CG . 16689 1 1081 . 1 1 84 84 GLN N N 15 116.672 0.3 . 1 . . . . 84 GLN N . 16689 1 1082 . 1 1 84 84 GLN NE2 N 15 110.404 0.3 . 1 . . . . 84 GLN NE2 . 16689 1 1083 . 1 1 85 85 ALA H H 1 8.308 0.020 . 1 . . . . 85 ALA H . 16689 1 1084 . 1 1 85 85 ALA HA H 1 3.623 0.020 . 1 . . . . 85 ALA HA . 16689 1 1085 . 1 1 85 85 ALA HB1 H 1 1.184 0.020 . 1 . . . . 85 ALA HB . 16689 1 1086 . 1 1 85 85 ALA HB2 H 1 1.184 0.020 . 1 . . . . 85 ALA HB . 16689 1 1087 . 1 1 85 85 ALA HB3 H 1 1.184 0.020 . 1 . . . . 85 ALA HB . 16689 1 1088 . 1 1 85 85 ALA C C 13 179.713 0.3 . 1 . . . . 85 ALA C . 16689 1 1089 . 1 1 85 85 ALA CA C 13 56.293 0.3 . 1 . . . . 85 ALA CA . 16689 1 1090 . 1 1 85 85 ALA CB C 13 17.652 0.3 . 1 . . . . 85 ALA CB . 16689 1 1091 . 1 1 85 85 ALA N N 15 122.405 0.3 . 1 . . . . 85 ALA N . 16689 1 1092 . 1 1 86 86 ASP H H 1 8.757 0.020 . 1 . . . . 86 ASP H . 16689 1 1093 . 1 1 86 86 ASP HA H 1 4.434 0.020 . 1 . . . . 86 ASP HA . 16689 1 1094 . 1 1 86 86 ASP HB2 H 1 2.649 0.020 . 1 . . . . 86 ASP HB2 . 16689 1 1095 . 1 1 86 86 ASP HB3 H 1 2.649 0.020 . 1 . . . . 86 ASP HB3 . 16689 1 1096 . 1 1 86 86 ASP C C 13 178.950 0.3 . 1 . . . . 86 ASP C . 16689 1 1097 . 1 1 86 86 ASP CA C 13 57.585 0.3 . 1 . . . . 86 ASP CA . 16689 1 1098 . 1 1 86 86 ASP CB C 13 39.203 0.3 . 1 . . . . 86 ASP CB . 16689 1 1099 . 1 1 86 86 ASP N N 15 118.842 0.3 . 1 . . . . 86 ASP N . 16689 1 1100 . 1 1 87 87 THR H H 1 8.055 0.020 . 1 . . . . 87 THR H . 16689 1 1101 . 1 1 87 87 THR HA H 1 4.116 0.020 . 1 . . . . 87 THR HA . 16689 1 1102 . 1 1 87 87 THR HB H 1 4.086 0.020 . 1 . . . . 87 THR HB . 16689 1 1103 . 1 1 87 87 THR HG21 H 1 1.220 0.020 . 1 . . . . 87 THR HG2 . 16689 1 1104 . 1 1 87 87 THR HG22 H 1 1.220 0.020 . 1 . . . . 87 THR HG2 . 16689 1 1105 . 1 1 87 87 THR HG23 H 1 1.220 0.020 . 1 . . . . 87 THR HG2 . 16689 1 1106 . 1 1 87 87 THR C C 13 176.464 0.3 . 1 . . . . 87 THR C . 16689 1 1107 . 1 1 87 87 THR CA C 13 65.120 0.3 . 1 . . . . 87 THR CA . 16689 1 1108 . 1 1 87 87 THR CB C 13 68.529 0.3 . 1 . . . . 87 THR CB . 16689 1 1109 . 1 1 87 87 THR CG2 C 13 21.940 0.3 . 1 . . . . 87 THR CG2 . 16689 1 1110 . 1 1 87 87 THR N N 15 116.411 0.3 . 1 . . . . 87 THR N . 16689 1 1111 . 1 1 88 88 ILE H H 1 8.069 0.020 . 1 . . . . 88 ILE H . 16689 1 1112 . 1 1 88 88 ILE HA H 1 3.646 0.020 . 1 . . . . 88 ILE HA . 16689 1 1113 . 1 1 88 88 ILE HB H 1 1.826 0.020 . 1 . . . . 88 ILE HB . 16689 1 1114 . 1 1 88 88 ILE HD11 H 1 0.621 0.020 . 1 . . . . 88 ILE HD1 . 16689 1 1115 . 1 1 88 88 ILE HD12 H 1 0.621 0.020 . 1 . . . . 88 ILE HD1 . 16689 1 1116 . 1 1 88 88 ILE HD13 H 1 0.621 0.020 . 1 . . . . 88 ILE HD1 . 16689 1 1117 . 1 1 88 88 ILE HG12 H 1 1.553 0.020 . 2 . . . . 88 ILE HG12 . 16689 1 1118 . 1 1 88 88 ILE HG13 H 1 1.208 0.020 . 2 . . . . 88 ILE HG13 . 16689 1 1119 . 1 1 88 88 ILE HG21 H 1 0.615 0.020 . 1 . . . . 88 ILE HG2 . 16689 1 1120 . 1 1 88 88 ILE HG22 H 1 0.615 0.020 . 1 . . . . 88 ILE HG2 . 16689 1 1121 . 1 1 88 88 ILE HG23 H 1 0.615 0.020 . 1 . . . . 88 ILE HG2 . 16689 1 1122 . 1 1 88 88 ILE C C 13 177.005 0.3 . 1 . . . . 88 ILE C . 16689 1 1123 . 1 1 88 88 ILE CA C 13 62.566 0.3 . 1 . . . . 88 ILE CA . 16689 1 1124 . 1 1 88 88 ILE CB C 13 34.853 0.3 . 1 . . . . 88 ILE CB . 16689 1 1125 . 1 1 88 88 ILE CD1 C 13 10.040 0.3 . 1 . . . . 88 ILE CD1 . 16689 1 1126 . 1 1 88 88 ILE CG1 C 13 28.830 0.3 . 1 . . . . 88 ILE CG1 . 16689 1 1127 . 1 1 88 88 ILE CG2 C 13 17.227 0.3 . 1 . . . . 88 ILE CG2 . 16689 1 1128 . 1 1 88 88 ILE N N 15 120.592 0.3 . 1 . . . . 88 ILE N . 16689 1 1129 . 1 1 89 89 THR H H 1 8.432 0.020 . 1 . . . . 89 THR H . 16689 1 1130 . 1 1 89 89 THR HA H 1 4.006 0.020 . 1 . . . . 89 THR HA . 16689 1 1131 . 1 1 89 89 THR HB H 1 4.503 0.020 . 1 . . . . 89 THR HB . 16689 1 1132 . 1 1 89 89 THR HG21 H 1 1.542 0.020 . 1 . . . . 89 THR HG2 . 16689 1 1133 . 1 1 89 89 THR HG22 H 1 1.542 0.020 . 1 . . . . 89 THR HG2 . 16689 1 1134 . 1 1 89 89 THR HG23 H 1 1.542 0.020 . 1 . . . . 89 THR HG2 . 16689 1 1135 . 1 1 89 89 THR C C 13 175.474 0.3 . 1 . . . . 89 THR C . 16689 1 1136 . 1 1 89 89 THR CA C 13 68.001 0.3 . 1 . . . . 89 THR CA . 16689 1 1137 . 1 1 89 89 THR CB C 13 68.412 0.3 . 1 . . . . 89 THR CB . 16689 1 1138 . 1 1 89 89 THR CG2 C 13 21.761 0.3 . 1 . . . . 89 THR CG2 . 16689 1 1139 . 1 1 89 89 THR N N 15 118.045 0.3 . 1 . . . . 89 THR N . 16689 1 1140 . 1 1 90 90 ASP H H 1 7.222 0.020 . 1 . . . . 90 ASP H . 16689 1 1141 . 1 1 90 90 ASP HA H 1 4.735 0.020 . 1 . . . . 90 ASP HA . 16689 1 1142 . 1 1 90 90 ASP HB2 H 1 2.866 0.020 . 1 . . . . 90 ASP HB2 . 16689 1 1143 . 1 1 90 90 ASP HB3 H 1 2.866 0.020 . 1 . . . . 90 ASP HB3 . 16689 1 1144 . 1 1 90 90 ASP C C 13 177.602 0.3 . 1 . . . . 90 ASP C . 16689 1 1145 . 1 1 90 90 ASP CA C 13 57.776 0.3 . 1 . . . . 90 ASP CA . 16689 1 1146 . 1 1 90 90 ASP CB C 13 42.300 0.3 . 1 . . . . 90 ASP CB . 16689 1 1147 . 1 1 90 90 ASP N N 15 119.639 0.3 . 1 . . . . 90 ASP N . 16689 1 1148 . 1 1 91 91 LYS H H 1 8.063 0.020 . 1 . . . . 91 LYS H . 16689 1 1149 . 1 1 91 91 LYS HA H 1 3.945 0.020 . 1 . . . . 91 LYS HA . 16689 1 1150 . 1 1 91 91 LYS HB2 H 1 1.879 0.020 . 2 . . . . 91 LYS HB2 . 16689 1 1151 . 1 1 91 91 LYS HB3 H 1 1.706 0.020 . 2 . . . . 91 LYS HB3 . 16689 1 1152 . 1 1 91 91 LYS HD2 H 1 1.641 0.020 . 2 . . . . 91 LYS HD2 . 16689 1 1153 . 1 1 91 91 LYS HD3 H 1 1.518 0.020 . 2 . . . . 91 LYS HD3 . 16689 1 1154 . 1 1 91 91 LYS HE2 H 1 2.909 0.020 . 2 . . . . 91 LYS HE2 . 16689 1 1155 . 1 1 91 91 LYS HE3 H 1 2.791 0.020 . 2 . . . . 91 LYS HE3 . 16689 1 1156 . 1 1 91 91 LYS HG2 H 1 1.315 0.020 . 2 . . . . 91 LYS HG2 . 16689 1 1157 . 1 1 91 91 LYS HG3 H 1 1.201 0.020 . 2 . . . . 91 LYS HG3 . 16689 1 1158 . 1 1 91 91 LYS C C 13 180.360 0.3 . 1 . . . . 91 LYS C . 16689 1 1159 . 1 1 91 91 LYS CA C 13 58.062 0.3 . 1 . . . . 91 LYS CA . 16689 1 1160 . 1 1 91 91 LYS CB C 13 31.679 0.3 . 1 . . . . 91 LYS CB . 16689 1 1161 . 1 1 91 91 LYS CD C 13 29.190 0.3 . 1 . . . . 91 LYS CD . 16689 1 1162 . 1 1 91 91 LYS CE C 13 41.934 0.3 . 1 . . . . 91 LYS CE . 16689 1 1163 . 1 1 91 91 LYS CG C 13 24.504 0.3 . 1 . . . . 91 LYS CG . 16689 1 1164 . 1 1 91 91 LYS N N 15 115.231 0.3 . 1 . . . . 91 LYS N . 16689 1 1165 . 1 1 92 92 ILE H H 1 8.690 0.020 . 1 . . . . 92 ILE H . 16689 1 1166 . 1 1 92 92 ILE HA H 1 3.193 0.020 . 1 . . . . 92 ILE HA . 16689 1 1167 . 1 1 92 92 ILE HB H 1 1.098 0.020 . 1 . . . . 92 ILE HB . 16689 1 1168 . 1 1 92 92 ILE HD11 H 1 0.049 0.020 . 1 . . . . 92 ILE HD1 . 16689 1 1169 . 1 1 92 92 ILE HD12 H 1 0.049 0.020 . 1 . . . . 92 ILE HD1 . 16689 1 1170 . 1 1 92 92 ILE HD13 H 1 0.049 0.020 . 1 . . . . 92 ILE HD1 . 16689 1 1171 . 1 1 92 92 ILE HG12 H 1 1.564 0.020 . 2 . . . . 92 ILE HG12 . 16689 1 1172 . 1 1 92 92 ILE HG13 H 1 0.123 0.020 . 2 . . . . 92 ILE HG13 . 16689 1 1173 . 1 1 92 92 ILE HG21 H 1 -0.447 0.020 . 1 . . . . 92 ILE HG2 . 16689 1 1174 . 1 1 92 92 ILE HG22 H 1 -0.447 0.020 . 1 . . . . 92 ILE HG2 . 16689 1 1175 . 1 1 92 92 ILE HG23 H 1 -0.447 0.020 . 1 . . . . 92 ILE HG2 . 16689 1 1176 . 1 1 92 92 ILE C C 13 177.326 0.3 . 1 . . . . 92 ILE C . 16689 1 1177 . 1 1 92 92 ILE CA C 13 66.207 0.3 . 1 . . . . 92 ILE CA . 16689 1 1178 . 1 1 92 92 ILE CB C 13 37.051 0.3 . 1 . . . . 92 ILE CB . 16689 1 1179 . 1 1 92 92 ILE CD1 C 13 13.285 0.3 . 1 . . . . 92 ILE CD1 . 16689 1 1180 . 1 1 92 92 ILE CG1 C 13 29.459 0.3 . 1 . . . . 92 ILE CG1 . 16689 1 1181 . 1 1 92 92 ILE CG2 C 13 18.034 0.3 . 1 . . . . 92 ILE CG2 . 16689 1 1182 . 1 1 92 92 ILE N N 15 122.563 0.3 . 1 . . . . 92 ILE N . 16689 1 1183 . 1 1 93 93 PHE H H 1 8.207 0.020 . 1 . . . . 93 PHE H . 16689 1 1184 . 1 1 93 93 PHE HA H 1 4.264 0.020 . 1 . . . . 93 PHE HA . 16689 1 1185 . 1 1 93 93 PHE HB2 H 1 3.296 0.020 . 2 . . . . 93 PHE HB2 . 16689 1 1186 . 1 1 93 93 PHE HB3 H 1 2.776 0.020 . 2 . . . . 93 PHE HB3 . 16689 1 1187 . 1 1 93 93 PHE HD1 H 1 7.586 0.020 . 1 . . . . 93 PHE HD1 . 16689 1 1188 . 1 1 93 93 PHE HD2 H 1 7.586 0.020 . 1 . . . . 93 PHE HD2 . 16689 1 1189 . 1 1 93 93 PHE HE1 H 1 7.263 0.020 . 1 . . . . 93 PHE HE1 . 16689 1 1190 . 1 1 93 93 PHE HE2 H 1 7.263 0.020 . 1 . . . . 93 PHE HE2 . 16689 1 1191 . 1 1 93 93 PHE HZ H 1 7.200 0.020 . 1 . . . . 93 PHE HZ . 16689 1 1192 . 1 1 93 93 PHE C C 13 179.282 0.3 . 1 . . . . 93 PHE C . 16689 1 1193 . 1 1 93 93 PHE CA C 13 63.206 0.3 . 1 . . . . 93 PHE CA . 16689 1 1194 . 1 1 93 93 PHE CB C 13 39.083 0.3 . 1 . . . . 93 PHE CB . 16689 1 1195 . 1 1 93 93 PHE CD1 C 13 131.979 0.3 . 1 . . . . 93 PHE CD1 . 16689 1 1196 . 1 1 93 93 PHE CD2 C 13 131.979 0.3 . 1 . . . . 93 PHE CD2 . 16689 1 1197 . 1 1 93 93 PHE CE1 C 13 131.766 0.3 . 1 . . . . 93 PHE CE1 . 16689 1 1198 . 1 1 93 93 PHE CE2 C 13 131.766 0.3 . 1 . . . . 93 PHE CE2 . 16689 1 1199 . 1 1 93 93 PHE CZ C 13 130.914 0.3 . 1 . . . . 93 PHE CZ . 16689 1 1200 . 1 1 93 93 PHE N N 15 117.709 0.3 . 1 . . . . 93 PHE N . 16689 1 1201 . 1 1 94 94 LYS H H 1 8.581 0.020 . 1 . . . . 94 LYS H . 16689 1 1202 . 1 1 94 94 LYS HA H 1 3.715 0.020 . 1 . . . . 94 LYS HA . 16689 1 1203 . 1 1 94 94 LYS HB2 H 1 1.842 0.020 . 2 . . . . 94 LYS HB2 . 16689 1 1204 . 1 1 94 94 LYS HB3 H 1 1.819 0.020 . 2 . . . . 94 LYS HB3 . 16689 1 1205 . 1 1 94 94 LYS HD2 H 1 1.577 0.020 . 2 . . . . 94 LYS HD2 . 16689 1 1206 . 1 1 94 94 LYS HD3 H 1 1.515 0.020 . 2 . . . . 94 LYS HD3 . 16689 1 1207 . 1 1 94 94 LYS HE2 H 1 3.034 0.020 . 2 . . . . 94 LYS HE2 . 16689 1 1208 . 1 1 94 94 LYS HE3 H 1 2.991 0.020 . 2 . . . . 94 LYS HE3 . 16689 1 1209 . 1 1 94 94 LYS HG2 H 1 1.720 0.020 . 2 . . . . 94 LYS HG2 . 16689 1 1210 . 1 1 94 94 LYS HG3 H 1 1.437 0.020 . 2 . . . . 94 LYS HG3 . 16689 1 1211 . 1 1 94 94 LYS C C 13 179.157 0.3 . 1 . . . . 94 LYS C . 16689 1 1212 . 1 1 94 94 LYS CA C 13 60.012 0.3 . 1 . . . . 94 LYS CA . 16689 1 1213 . 1 1 94 94 LYS CB C 13 32.216 0.3 . 1 . . . . 94 LYS CB . 16689 1 1214 . 1 1 94 94 LYS CD C 13 29.219 0.3 . 1 . . . . 94 LYS CD . 16689 1 1215 . 1 1 94 94 LYS CE C 13 41.991 0.3 . 1 . . . . 94 LYS CE . 16689 1 1216 . 1 1 94 94 LYS CG C 13 27.173 0.3 . 1 . . . . 94 LYS CG . 16689 1 1217 . 1 1 94 94 LYS N N 15 115.652 0.3 . 1 . . . . 94 LYS N . 16689 1 1218 . 1 1 95 95 SER H H 1 8.048 0.020 . 1 . . . . 95 SER H . 16689 1 1219 . 1 1 95 95 SER HA H 1 4.110 0.020 . 1 . . . . 95 SER HA . 16689 1 1220 . 1 1 95 95 SER HB2 H 1 4.070 0.020 . 2 . . . . 95 SER HB2 . 16689 1 1221 . 1 1 95 95 SER HB3 H 1 3.837 0.020 . 2 . . . . 95 SER HB3 . 16689 1 1222 . 1 1 95 95 SER C C 13 179.187 0.3 . 1 . . . . 95 SER C . 16689 1 1223 . 1 1 95 95 SER CA C 13 61.758 0.3 . 1 . . . . 95 SER CA . 16689 1 1224 . 1 1 95 95 SER CB C 13 63.960 0.3 . 1 . . . . 95 SER CB . 16689 1 1225 . 1 1 95 95 SER N N 15 116.591 0.3 . 1 . . . . 95 SER N . 16689 1 1226 . 1 1 96 96 ILE H H 1 7.430 0.020 . 1 . . . . 96 ILE H . 16689 1 1227 . 1 1 96 96 ILE HA H 1 3.275 0.020 . 1 . . . . 96 ILE HA . 16689 1 1228 . 1 1 96 96 ILE HB H 1 1.164 0.020 . 1 . . . . 96 ILE HB . 16689 1 1229 . 1 1 96 96 ILE HD11 H 1 -0.185 0.020 . 1 . . . . 96 ILE HD1 . 16689 1 1230 . 1 1 96 96 ILE HD12 H 1 -0.185 0.020 . 1 . . . . 96 ILE HD1 . 16689 1 1231 . 1 1 96 96 ILE HD13 H 1 -0.185 0.020 . 1 . . . . 96 ILE HD1 . 16689 1 1232 . 1 1 96 96 ILE HG12 H 1 1.447 0.020 . 2 . . . . 96 ILE HG12 . 16689 1 1233 . 1 1 96 96 ILE HG13 H 1 0.612 0.020 . 2 . . . . 96 ILE HG13 . 16689 1 1234 . 1 1 96 96 ILE HG21 H 1 0.001 0.020 . 1 . . . . 96 ILE HG2 . 16689 1 1235 . 1 1 96 96 ILE HG22 H 1 0.001 0.020 . 1 . . . . 96 ILE HG2 . 16689 1 1236 . 1 1 96 96 ILE HG23 H 1 0.001 0.020 . 1 . . . . 96 ILE HG2 . 16689 1 1237 . 1 1 96 96 ILE C C 13 178.379 0.3 . 1 . . . . 96 ILE C . 16689 1 1238 . 1 1 96 96 ILE CA C 13 64.868 0.3 . 1 . . . . 96 ILE CA . 16689 1 1239 . 1 1 96 96 ILE CB C 13 40.254 0.3 . 1 . . . . 96 ILE CB . 16689 1 1240 . 1 1 96 96 ILE CD1 C 13 14.488 0.3 . 1 . . . . 96 ILE CD1 . 16689 1 1241 . 1 1 96 96 ILE CG1 C 13 28.798 0.3 . 1 . . . . 96 ILE CG1 . 16689 1 1242 . 1 1 96 96 ILE CG2 C 13 16.567 0.3 . 1 . . . . 96 ILE CG2 . 16689 1 1243 . 1 1 96 96 ILE N N 15 117.285 0.3 . 1 . . . . 96 ILE N . 16689 1 1244 . 1 1 97 97 HIS H H 1 8.066 0.020 . 1 . . . . 97 HIS H . 16689 1 1245 . 1 1 97 97 HIS HA H 1 4.169 0.020 . 1 . . . . 97 HIS HA . 16689 1 1246 . 1 1 97 97 HIS HB2 H 1 2.886 0.020 . 2 . . . . 97 HIS HB2 . 16689 1 1247 . 1 1 97 97 HIS HB3 H 1 2.180 0.020 . 2 . . . . 97 HIS HB3 . 16689 1 1248 . 1 1 97 97 HIS HD2 H 1 7.470 0.020 . 1 . . . . 97 HIS HD2 . 16689 1 1249 . 1 1 97 97 HIS HE1 H 1 8.034 0.020 . 1 . . . . 97 HIS HE1 . 16689 1 1250 . 1 1 97 97 HIS C C 13 176.408 0.3 . 1 . . . . 97 HIS C . 16689 1 1251 . 1 1 97 97 HIS CA C 13 58.713 0.3 . 1 . . . . 97 HIS CA . 16689 1 1252 . 1 1 97 97 HIS CB C 13 32.279 0.3 . 1 . . . . 97 HIS CB . 16689 1 1253 . 1 1 97 97 HIS CD2 C 13 119.227 0.3 . 1 . . . . 97 HIS CD2 . 16689 1 1254 . 1 1 97 97 HIS CE1 C 13 137.468 0.3 . 1 . . . . 97 HIS CE1 . 16689 1 1255 . 1 1 97 97 HIS N N 15 114.093 0.3 . 1 . . . . 97 HIS N . 16689 1 1256 . 1 1 98 98 VAL H H 1 8.103 0.020 . 1 . . . . 98 VAL H . 16689 1 1257 . 1 1 98 98 VAL HA H 1 4.199 0.020 . 1 . . . . 98 VAL HA . 16689 1 1258 . 1 1 98 98 VAL HB H 1 2.409 0.020 . 1 . . . . 98 VAL HB . 16689 1 1259 . 1 1 98 98 VAL HG11 H 1 1.071 0.020 . 2 . . . . 98 VAL HG1 . 16689 1 1260 . 1 1 98 98 VAL HG12 H 1 1.071 0.020 . 2 . . . . 98 VAL HG1 . 16689 1 1261 . 1 1 98 98 VAL HG13 H 1 1.071 0.020 . 2 . . . . 98 VAL HG1 . 16689 1 1262 . 1 1 98 98 VAL HG21 H 1 0.938 0.020 . 2 . . . . 98 VAL HG2 . 16689 1 1263 . 1 1 98 98 VAL HG22 H 1 0.938 0.020 . 2 . . . . 98 VAL HG2 . 16689 1 1264 . 1 1 98 98 VAL HG23 H 1 0.938 0.020 . 2 . . . . 98 VAL HG2 . 16689 1 1265 . 1 1 98 98 VAL C C 13 177.147 0.3 . 1 . . . . 98 VAL C . 16689 1 1266 . 1 1 98 98 VAL CA C 13 64.249 0.3 . 1 . . . . 98 VAL CA . 16689 1 1267 . 1 1 98 98 VAL CB C 13 32.071 0.3 . 1 . . . . 98 VAL CB . 16689 1 1268 . 1 1 98 98 VAL CG1 C 13 21.312 0.3 . 2 . . . . 98 VAL CG1 . 16689 1 1269 . 1 1 98 98 VAL CG2 C 13 20.879 0.3 . 2 . . . . 98 VAL CG2 . 16689 1 1270 . 1 1 98 98 VAL N N 15 119.122 0.3 . 1 . . . . 98 VAL N . 16689 1 1271 . 1 1 99 99 GLN H H 1 7.972 0.020 . 1 . . . . 99 GLN H . 16689 1 1272 . 1 1 99 99 GLN HA H 1 4.126 0.020 . 1 . . . . 99 GLN HA . 16689 1 1273 . 1 1 99 99 GLN HB2 H 1 2.370 0.020 . 2 . . . . 99 GLN HB2 . 16689 1 1274 . 1 1 99 99 GLN HB3 H 1 2.229 0.020 . 2 . . . . 99 GLN HB3 . 16689 1 1275 . 1 1 99 99 GLN HE21 H 1 6.668 0.020 . 2 . . . . 99 GLN HE21 . 16689 1 1276 . 1 1 99 99 GLN HE22 H 1 7.419 0.020 . 2 . . . . 99 GLN HE22 . 16689 1 1277 . 1 1 99 99 GLN HG2 H 1 2.349 0.020 . 2 . . . . 99 GLN HG2 . 16689 1 1278 . 1 1 99 99 GLN HG3 H 1 2.232 0.020 . 2 . . . . 99 GLN HG3 . 16689 1 1279 . 1 1 99 99 GLN C C 13 175.517 0.3 . 1 . . . . 99 GLN C . 16689 1 1280 . 1 1 99 99 GLN CA C 13 56.533 0.3 . 1 . . . . 99 GLN CA . 16689 1 1281 . 1 1 99 99 GLN CB C 13 28.239 0.3 . 1 . . . . 99 GLN CB . 16689 1 1282 . 1 1 99 99 GLN CD C 13 179.753 0.3 . 1 . . . . 99 GLN CD . 16689 1 1283 . 1 1 99 99 GLN CG C 13 34.229 0.3 . 1 . . . . 99 GLN CG . 16689 1 1284 . 1 1 99 99 GLN N N 15 116.477 0.3 . 1 . . . . 99 GLN N . 16689 1 1285 . 1 1 99 99 GLN NE2 N 15 111.296 0.3 . 1 . . . . 99 GLN NE2 . 16689 1 1286 . 1 1 100 100 ARG H H 1 6.966 0.020 . 1 . . . . 100 ARG H . 16689 1 1287 . 1 1 100 100 ARG HA H 1 3.754 0.020 . 1 . . . . 100 ARG HA . 16689 1 1288 . 1 1 100 100 ARG HB2 H 1 2.005 0.020 . 2 . . . . 100 ARG HB2 . 16689 1 1289 . 1 1 100 100 ARG HB3 H 1 1.805 0.020 . 2 . . . . 100 ARG HB3 . 16689 1 1290 . 1 1 100 100 ARG HD2 H 1 3.088 0.020 . 2 . . . . 100 ARG HD2 . 16689 1 1291 . 1 1 100 100 ARG HD3 H 1 3.030 0.020 . 2 . . . . 100 ARG HD3 . 16689 1 1292 . 1 1 100 100 ARG HG2 H 1 1.411 0.020 . 2 . . . . 100 ARG HG2 . 16689 1 1293 . 1 1 100 100 ARG HG3 H 1 1.364 0.020 . 2 . . . . 100 ARG HG3 . 16689 1 1294 . 1 1 100 100 ARG C C 13 174.201 0.3 . 1 . . . . 100 ARG C . 16689 1 1295 . 1 1 100 100 ARG CA C 13 56.277 0.3 . 1 . . . . 100 ARG CA . 16689 1 1296 . 1 1 100 100 ARG CB C 13 25.735 0.3 . 1 . . . . 100 ARG CB . 16689 1 1297 . 1 1 100 100 ARG CD C 13 42.848 0.3 . 1 . . . . 100 ARG CD . 16689 1 1298 . 1 1 100 100 ARG CG C 13 26.716 0.3 . 1 . . . . 100 ARG CG . 16689 1 1299 . 1 1 100 100 ARG N N 15 112.500 0.3 . 1 . . . . 100 ARG N . 16689 1 1300 . 1 1 101 101 ALA H H 1 8.367 0.020 . 1 . . . . 101 ALA H . 16689 1 1301 . 1 1 101 101 ALA HA H 1 4.833 0.020 . 1 . . . . 101 ALA HA . 16689 1 1302 . 1 1 101 101 ALA HB1 H 1 1.060 0.020 . 1 . . . . 101 ALA HB . 16689 1 1303 . 1 1 101 101 ALA HB2 H 1 1.060 0.020 . 1 . . . . 101 ALA HB . 16689 1 1304 . 1 1 101 101 ALA HB3 H 1 1.060 0.020 . 1 . . . . 101 ALA HB . 16689 1 1305 . 1 1 101 101 ALA C C 13 175.548 0.3 . 1 . . . . 101 ALA C . 16689 1 1306 . 1 1 101 101 ALA CA C 13 48.496 0.3 . 1 . . . . 101 ALA CA . 16689 1 1307 . 1 1 101 101 ALA CB C 13 18.483 0.3 . 1 . . . . 101 ALA CB . 16689 1 1308 . 1 1 101 101 ALA N N 15 124.589 0.3 . 1 . . . . 101 ALA N . 16689 1 1309 . 1 1 102 102 PRO HA H 1 4.194 0.020 . 1 . . . . 102 PRO HA . 16689 1 1310 . 1 1 102 102 PRO HB2 H 1 2.167 0.020 . 2 . . . . 102 PRO HB2 . 16689 1 1311 . 1 1 102 102 PRO HB3 H 1 2.107 0.020 . 2 . . . . 102 PRO HB3 . 16689 1 1312 . 1 1 102 102 PRO HD2 H 1 3.786 0.020 . 2 . . . . 102 PRO HD2 . 16689 1 1313 . 1 1 102 102 PRO HD3 H 1 3.632 0.020 . 2 . . . . 102 PRO HD3 . 16689 1 1314 . 1 1 102 102 PRO HG2 H 1 1.934 0.020 . 2 . . . . 102 PRO HG2 . 16689 1 1315 . 1 1 102 102 PRO HG3 H 1 1.892 0.020 . 2 . . . . 102 PRO HG3 . 16689 1 1316 . 1 1 102 102 PRO C C 13 175.008 0.3 . 1 . . . . 102 PRO C . 16689 1 1317 . 1 1 102 102 PRO CA C 13 64.080 0.3 . 1 . . . . 102 PRO CA . 16689 1 1318 . 1 1 102 102 PRO CB C 13 31.856 0.3 . 1 . . . . 102 PRO CB . 16689 1 1319 . 1 1 102 102 PRO CD C 13 50.632 0.3 . 1 . . . . 102 PRO CD . 16689 1 1320 . 1 1 102 102 PRO CG C 13 26.727 0.3 . 1 . . . . 102 PRO CG . 16689 1 1321 . 1 1 103 103 LEU H H 1 8.348 0.020 . 1 . . . . 103 LEU H . 16689 1 1322 . 1 1 103 103 LEU HA H 1 3.643 0.020 . 1 . . . . 103 LEU HA . 16689 1 1323 . 1 1 103 103 LEU HB2 H 1 1.836 0.020 . 1 . . . . 103 LEU HB2 . 16689 1 1324 . 1 1 103 103 LEU HB3 H 1 1.149 0.020 . 1 . . . . 103 LEU HB3 . 16689 1 1325 . 1 1 103 103 LEU HD11 H 1 1.502 0.020 . 2 . . . . 103 LEU HD1 . 16689 1 1326 . 1 1 103 103 LEU HD12 H 1 1.502 0.020 . 2 . . . . 103 LEU HD1 . 16689 1 1327 . 1 1 103 103 LEU HD13 H 1 1.502 0.020 . 2 . . . . 103 LEU HD1 . 16689 1 1328 . 1 1 103 103 LEU HD21 H 1 0.478 0.020 . 2 . . . . 103 LEU HD2 . 16689 1 1329 . 1 1 103 103 LEU HD22 H 1 0.478 0.020 . 2 . . . . 103 LEU HD2 . 16689 1 1330 . 1 1 103 103 LEU HD23 H 1 0.478 0.020 . 2 . . . . 103 LEU HD2 . 16689 1 1331 . 1 1 103 103 LEU HG H 1 0.597 0.020 . 1 . . . . 103 LEU HG . 16689 1 1332 . 1 1 103 103 LEU C C 13 174.362 0.3 . 1 . . . . 103 LEU C . 16689 1 1333 . 1 1 103 103 LEU CA C 13 54.609 0.3 . 1 . . . . 103 LEU CA . 16689 1 1334 . 1 1 103 103 LEU CB C 13 39.127 0.3 . 1 . . . . 103 LEU CB . 16689 1 1335 . 1 1 103 103 LEU CD1 C 13 25.439 0.3 . 1 . . . . 103 LEU CD1 . 16689 1 1336 . 1 1 103 103 LEU CD2 C 13 22.500 0.3 . 1 . . . . 103 LEU CD2 . 16689 1 1337 . 1 1 103 103 LEU CG C 13 27.346 0.3 . 1 . . . . 103 LEU CG . 16689 1 1338 . 1 1 103 103 LEU N N 15 116.387 0.3 . 1 . . . . 103 LEU N . 16689 1 1339 . 1 1 104 104 THR H H 1 7.294 0.020 . 1 . . . . 104 THR H . 16689 1 1340 . 1 1 104 104 THR HA H 1 4.022 0.020 . 1 . . . . 104 THR HA . 16689 1 1341 . 1 1 104 104 THR HB H 1 4.194 0.020 . 1 . . . . 104 THR HB . 16689 1 1342 . 1 1 104 104 THR HG21 H 1 1.112 0.020 . 1 . . . . 104 THR HG2 . 16689 1 1343 . 1 1 104 104 THR HG22 H 1 1.112 0.020 . 1 . . . . 104 THR HG2 . 16689 1 1344 . 1 1 104 104 THR HG23 H 1 1.112 0.020 . 1 . . . . 104 THR HG2 . 16689 1 1345 . 1 1 104 104 THR C C 13 175.915 0.3 . 1 . . . . 104 THR C . 16689 1 1346 . 1 1 104 104 THR CA C 13 62.894 0.3 . 1 . . . . 104 THR CA . 16689 1 1347 . 1 1 104 104 THR CB C 13 68.392 0.3 . 1 . . . . 104 THR CB . 16689 1 1348 . 1 1 104 104 THR CG2 C 13 22.308 0.3 . 1 . . . . 104 THR CG2 . 16689 1 1349 . 1 1 104 104 THR N N 15 106.536 0.3 . 1 . . . . 104 THR N . 16689 1 1350 . 1 1 105 105 GLU H H 1 8.110 0.020 . 1 . . . . 105 GLU H . 16689 1 1351 . 1 1 105 105 GLU HA H 1 4.560 0.020 . 1 . . . . 105 GLU HA . 16689 1 1352 . 1 1 105 105 GLU HB2 H 1 2.084 0.020 . 2 . . . . 105 GLU HB2 . 16689 1 1353 . 1 1 105 105 GLU HB3 H 1 1.901 0.020 . 2 . . . . 105 GLU HB3 . 16689 1 1354 . 1 1 105 105 GLU HG2 H 1 2.209 0.020 . 2 . . . . 105 GLU HG2 . 16689 1 1355 . 1 1 105 105 GLU HG3 H 1 2.170 0.020 . 2 . . . . 105 GLU HG3 . 16689 1 1356 . 1 1 105 105 GLU C C 13 177.811 0.3 . 1 . . . . 105 GLU C . 16689 1 1357 . 1 1 105 105 GLU CA C 13 54.180 0.3 . 1 . . . . 105 GLU CA . 16689 1 1358 . 1 1 105 105 GLU CB C 13 30.025 0.3 . 1 . . . . 105 GLU CB . 16689 1 1359 . 1 1 105 105 GLU CG C 13 35.874 0.3 . 1 . . . . 105 GLU CG . 16689 1 1360 . 1 1 105 105 GLU N N 15 120.989 0.3 . 1 . . . . 105 GLU N . 16689 1 1361 . 1 1 106 106 ILE H H 1 8.922 0.020 . 1 . . . . 106 ILE H . 16689 1 1362 . 1 1 106 106 ILE HA H 1 3.867 0.020 . 1 . . . . 106 ILE HA . 16689 1 1363 . 1 1 106 106 ILE HB H 1 1.864 0.020 . 1 . . . . 106 ILE HB . 16689 1 1364 . 1 1 106 106 ILE HD11 H 1 0.878 0.020 . 1 . . . . 106 ILE HD1 . 16689 1 1365 . 1 1 106 106 ILE HD12 H 1 0.878 0.020 . 1 . . . . 106 ILE HD1 . 16689 1 1366 . 1 1 106 106 ILE HD13 H 1 0.878 0.020 . 1 . . . . 106 ILE HD1 . 16689 1 1367 . 1 1 106 106 ILE HG12 H 1 1.391 0.020 . 2 . . . . 106 ILE HG12 . 16689 1 1368 . 1 1 106 106 ILE HG13 H 1 1.362 0.020 . 2 . . . . 106 ILE HG13 . 16689 1 1369 . 1 1 106 106 ILE HG21 H 1 0.901 0.020 . 1 . . . . 106 ILE HG2 . 16689 1 1370 . 1 1 106 106 ILE HG22 H 1 0.901 0.020 . 1 . . . . 106 ILE HG2 . 16689 1 1371 . 1 1 106 106 ILE HG23 H 1 0.901 0.020 . 1 . . . . 106 ILE HG2 . 16689 1 1372 . 1 1 106 106 ILE C C 13 177.032 0.3 . 1 . . . . 106 ILE C . 16689 1 1373 . 1 1 106 106 ILE CA C 13 63.269 0.3 . 1 . . . . 106 ILE CA . 16689 1 1374 . 1 1 106 106 ILE CB C 13 37.419 0.3 . 1 . . . . 106 ILE CB . 16689 1 1375 . 1 1 106 106 ILE CD1 C 13 12.695 0.3 . 1 . . . . 106 ILE CD1 . 16689 1 1376 . 1 1 106 106 ILE CG1 C 13 29.390 0.3 . 1 . . . . 106 ILE CG1 . 16689 1 1377 . 1 1 106 106 ILE CG2 C 13 17.071 0.3 . 1 . . . . 106 ILE CG2 . 16689 1 1378 . 1 1 106 106 ILE N N 15 127.749 0.3 . 1 . . . . 106 ILE N . 16689 1 1379 . 1 1 107 107 LYS H H 1 8.568 0.020 . 1 . . . . 107 LYS H . 16689 1 1380 . 1 1 107 107 LYS HA H 1 3.849 0.020 . 1 . . . . 107 LYS HA . 16689 1 1381 . 1 1 107 107 LYS HB2 H 1 1.737 0.020 . 2 . . . . 107 LYS HB2 . 16689 1 1382 . 1 1 107 107 LYS HB3 H 1 1.646 0.020 . 2 . . . . 107 LYS HB3 . 16689 1 1383 . 1 1 107 107 LYS HD2 H 1 1.568 0.020 . 2 . . . . 107 LYS HD2 . 16689 1 1384 . 1 1 107 107 LYS HD3 H 1 1.513 0.020 . 2 . . . . 107 LYS HD3 . 16689 1 1385 . 1 1 107 107 LYS HE2 H 1 2.860 0.020 . 2 . . . . 107 LYS HE2 . 16689 1 1386 . 1 1 107 107 LYS HE3 H 1 2.798 0.020 . 2 . . . . 107 LYS HE3 . 16689 1 1387 . 1 1 107 107 LYS HG2 H 1 1.316 0.020 . 2 . . . . 107 LYS HG2 . 16689 1 1388 . 1 1 107 107 LYS HG3 H 1 1.208 0.020 . 2 . . . . 107 LYS HG3 . 16689 1 1389 . 1 1 107 107 LYS C C 13 178.612 0.3 . 1 . . . . 107 LYS C . 16689 1 1390 . 1 1 107 107 LYS CA C 13 59.349 0.3 . 1 . . . . 107 LYS CA . 16689 1 1391 . 1 1 107 107 LYS CB C 13 31.557 0.3 . 1 . . . . 107 LYS CB . 16689 1 1392 . 1 1 107 107 LYS CD C 13 29.142 0.3 . 1 . . . . 107 LYS CD . 16689 1 1393 . 1 1 107 107 LYS CE C 13 41.884 0.3 . 1 . . . . 107 LYS CE . 16689 1 1394 . 1 1 107 107 LYS CG C 13 24.505 0.3 . 1 . . . . 107 LYS CG . 16689 1 1395 . 1 1 107 107 LYS N N 15 120.093 0.3 . 1 . . . . 107 LYS N . 16689 1 1396 . 1 1 108 108 ASP H H 1 7.189 0.020 . 1 . . . . 108 ASP H . 16689 1 1397 . 1 1 108 108 ASP HA H 1 4.357 0.020 . 1 . . . . 108 ASP HA . 16689 1 1398 . 1 1 108 108 ASP HB2 H 1 2.595 0.020 . 2 . . . . 108 ASP HB2 . 16689 1 1399 . 1 1 108 108 ASP HB3 H 1 2.554 0.020 . 2 . . . . 108 ASP HB3 . 16689 1 1400 . 1 1 108 108 ASP C C 13 178.504 0.3 . 1 . . . . 108 ASP C . 16689 1 1401 . 1 1 108 108 ASP CA C 13 56.754 0.3 . 1 . . . . 108 ASP CA . 16689 1 1402 . 1 1 108 108 ASP CB C 13 40.687 0.3 . 1 . . . . 108 ASP CB . 16689 1 1403 . 1 1 108 108 ASP N N 15 119.650 0.3 . 1 . . . . 108 ASP N . 16689 1 1404 . 1 1 109 109 LEU H H 1 7.230 0.020 . 1 . . . . 109 LEU H . 16689 1 1405 . 1 1 109 109 LEU HA H 1 3.840 0.020 . 1 . . . . 109 LEU HA . 16689 1 1406 . 1 1 109 109 LEU HB2 H 1 1.768 0.020 . 2 . . . . 109 LEU HB2 . 16689 1 1407 . 1 1 109 109 LEU HB3 H 1 1.321 0.020 . 2 . . . . 109 LEU HB3 . 16689 1 1408 . 1 1 109 109 LEU HD11 H 1 0.774 0.020 . 2 . . . . 109 LEU HD1 . 16689 1 1409 . 1 1 109 109 LEU HD12 H 1 0.774 0.020 . 2 . . . . 109 LEU HD1 . 16689 1 1410 . 1 1 109 109 LEU HD13 H 1 0.774 0.020 . 2 . . . . 109 LEU HD1 . 16689 1 1411 . 1 1 109 109 LEU HD21 H 1 0.612 0.020 . 2 . . . . 109 LEU HD2 . 16689 1 1412 . 1 1 109 109 LEU HD22 H 1 0.612 0.020 . 2 . . . . 109 LEU HD2 . 16689 1 1413 . 1 1 109 109 LEU HD23 H 1 0.612 0.020 . 2 . . . . 109 LEU HD2 . 16689 1 1414 . 1 1 109 109 LEU HG H 1 1.141 0.020 . 1 . . . . 109 LEU HG . 16689 1 1415 . 1 1 109 109 LEU C C 13 177.424 0.3 . 1 . . . . 109 LEU C . 16689 1 1416 . 1 1 109 109 LEU CA C 13 57.488 0.3 . 1 . . . . 109 LEU CA . 16689 1 1417 . 1 1 109 109 LEU CB C 13 41.651 0.3 . 1 . . . . 109 LEU CB . 16689 1 1418 . 1 1 109 109 LEU CD1 C 13 25.194 0.3 . 2 . . . . 109 LEU CD1 . 16689 1 1419 . 1 1 109 109 LEU CD2 C 13 22.617 0.3 . 2 . . . . 109 LEU CD2 . 16689 1 1420 . 1 1 109 109 LEU CG C 13 26.727 0.3 . 1 . . . . 109 LEU CG . 16689 1 1421 . 1 1 109 109 LEU N N 15 123.574 0.3 . 1 . . . . 109 LEU N . 16689 1 1422 . 1 1 110 110 LYS H H 1 8.458 0.020 . 1 . . . . 110 LYS H . 16689 1 1423 . 1 1 110 110 LYS HA H 1 3.182 0.020 . 1 . . . . 110 LYS HA . 16689 1 1424 . 1 1 110 110 LYS HB2 H 1 1.526 0.020 . 2 . . . . 110 LYS HB2 . 16689 1 1425 . 1 1 110 110 LYS HB3 H 1 1.384 0.020 . 2 . . . . 110 LYS HB3 . 16689 1 1426 . 1 1 110 110 LYS HE2 H 1 2.689 0.020 . 1 . . . . 110 LYS HE2 . 16689 1 1427 . 1 1 110 110 LYS HE3 H 1 2.689 0.020 . 1 . . . . 110 LYS HE3 . 16689 1 1428 . 1 1 110 110 LYS HG2 H 1 1.052 0.020 . 2 . . . . 110 LYS HG2 . 16689 1 1429 . 1 1 110 110 LYS HG3 H 1 0.526 0.020 . 2 . . . . 110 LYS HG3 . 16689 1 1430 . 1 1 110 110 LYS C C 13 178.865 0.3 . 1 . . . . 110 LYS C . 16689 1 1431 . 1 1 110 110 LYS CA C 13 59.884 0.3 . 1 . . . . 110 LYS CA . 16689 1 1432 . 1 1 110 110 LYS CB C 13 31.598 0.3 . 1 . . . . 110 LYS CB . 16689 1 1433 . 1 1 110 110 LYS CD C 13 29.605 0.3 . 1 . . . . 110 LYS CD . 16689 1 1434 . 1 1 110 110 LYS CE C 13 41.605 0.3 . 1 . . . . 110 LYS CE . 16689 1 1435 . 1 1 110 110 LYS CG C 13 26.123 0.3 . 1 . . . . 110 LYS CG . 16689 1 1436 . 1 1 110 110 LYS N N 15 116.700 0.3 . 1 . . . . 110 LYS N . 16689 1 1437 . 1 1 111 111 LYS H H 1 7.304 0.020 . 1 . . . . 111 LYS H . 16689 1 1438 . 1 1 111 111 LYS HA H 1 3.978 0.020 . 1 . . . . 111 LYS HA . 16689 1 1439 . 1 1 111 111 LYS HB2 H 1 1.847 0.020 . 2 . . . . 111 LYS HB2 . 16689 1 1440 . 1 1 111 111 LYS HB3 H 1 1.783 0.020 . 2 . . . . 111 LYS HB3 . 16689 1 1441 . 1 1 111 111 LYS HD2 H 1 1.583 0.020 . 2 . . . . 111 LYS HD2 . 16689 1 1442 . 1 1 111 111 LYS HD3 H 1 1.497 0.020 . 2 . . . . 111 LYS HD3 . 16689 1 1443 . 1 1 111 111 LYS HE2 H 1 2.851 0.020 . 2 . . . . 111 LYS HE2 . 16689 1 1444 . 1 1 111 111 LYS HE3 H 1 2.784 0.020 . 2 . . . . 111 LYS HE3 . 16689 1 1445 . 1 1 111 111 LYS HG2 H 1 1.441 0.020 . 2 . . . . 111 LYS HG2 . 16689 1 1446 . 1 1 111 111 LYS HG3 H 1 1.354 0.020 . 2 . . . . 111 LYS HG3 . 16689 1 1447 . 1 1 111 111 LYS C C 13 177.181 0.3 . 1 . . . . 111 LYS C . 16689 1 1448 . 1 1 111 111 LYS CA C 13 58.930 0.3 . 1 . . . . 111 LYS CA . 16689 1 1449 . 1 1 111 111 LYS CB C 13 31.886 0.3 . 1 . . . . 111 LYS CB . 16689 1 1450 . 1 1 111 111 LYS CD C 13 28.843 0.3 . 1 . . . . 111 LYS CD . 16689 1 1451 . 1 1 111 111 LYS CE C 13 41.756 0.3 . 1 . . . . 111 LYS CE . 16689 1 1452 . 1 1 111 111 LYS CG C 13 24.311 0.3 . 1 . . . . 111 LYS CG . 16689 1 1453 . 1 1 111 111 LYS N N 15 119.650 0.3 . 1 . . . . 111 LYS N . 16689 1 1454 . 1 1 112 112 LEU H H 1 7.061 0.020 . 1 . . . . 112 LEU H . 16689 1 1455 . 1 1 112 112 LEU HA H 1 3.906 0.020 . 1 . . . . 112 LEU HA . 16689 1 1456 . 1 1 112 112 LEU HB2 H 1 1.738 0.020 . 2 . . . . 112 LEU HB2 . 16689 1 1457 . 1 1 112 112 LEU HB3 H 1 1.519 0.020 . 2 . . . . 112 LEU HB3 . 16689 1 1458 . 1 1 112 112 LEU HD11 H 1 0.736 0.020 . 2 . . . . 112 LEU HD1 . 16689 1 1459 . 1 1 112 112 LEU HD12 H 1 0.736 0.020 . 2 . . . . 112 LEU HD1 . 16689 1 1460 . 1 1 112 112 LEU HD13 H 1 0.736 0.020 . 2 . . . . 112 LEU HD1 . 16689 1 1461 . 1 1 112 112 LEU HD21 H 1 0.567 0.020 . 2 . . . . 112 LEU HD2 . 16689 1 1462 . 1 1 112 112 LEU HD22 H 1 0.567 0.020 . 2 . . . . 112 LEU HD2 . 16689 1 1463 . 1 1 112 112 LEU HD23 H 1 0.567 0.020 . 2 . . . . 112 LEU HD2 . 16689 1 1464 . 1 1 112 112 LEU HG H 1 1.346 0.020 . 1 . . . . 112 LEU HG . 16689 1 1465 . 1 1 112 112 LEU C C 13 179.360 0.3 . 1 . . . . 112 LEU C . 16689 1 1466 . 1 1 112 112 LEU CA C 13 58.162 0.3 . 1 . . . . 112 LEU CA . 16689 1 1467 . 1 1 112 112 LEU CB C 13 41.172 0.3 . 1 . . . . 112 LEU CB . 16689 1 1468 . 1 1 112 112 LEU CD1 C 13 25.581 0.3 . 2 . . . . 112 LEU CD1 . 16689 1 1469 . 1 1 112 112 LEU CD2 C 13 25.791 0.3 . 2 . . . . 112 LEU CD2 . 16689 1 1470 . 1 1 112 112 LEU CG C 13 27.268 0.3 . 1 . . . . 112 LEU CG . 16689 1 1471 . 1 1 112 112 LEU N N 15 119.566 0.3 . 1 . . . . 112 LEU N . 16689 1 1472 . 1 1 113 113 LEU H H 1 7.832 0.020 . 1 . . . . 113 LEU H . 16689 1 1473 . 1 1 113 113 LEU HA H 1 3.606 0.020 . 1 . . . . 113 LEU HA . 16689 1 1474 . 1 1 113 113 LEU HB2 H 1 1.640 0.020 . 2 . . . . 113 LEU HB2 . 16689 1 1475 . 1 1 113 113 LEU HB3 H 1 1.565 0.020 . 2 . . . . 113 LEU HB3 . 16689 1 1476 . 1 1 113 113 LEU HD11 H 1 0.478 0.020 . 2 . . . . 113 LEU HD1 . 16689 1 1477 . 1 1 113 113 LEU HD12 H 1 0.478 0.020 . 2 . . . . 113 LEU HD1 . 16689 1 1478 . 1 1 113 113 LEU HD13 H 1 0.478 0.020 . 2 . . . . 113 LEU HD1 . 16689 1 1479 . 1 1 113 113 LEU HD21 H 1 0.690 0.020 . 2 . . . . 113 LEU HD2 . 16689 1 1480 . 1 1 113 113 LEU HD22 H 1 0.690 0.020 . 2 . . . . 113 LEU HD2 . 16689 1 1481 . 1 1 113 113 LEU HD23 H 1 0.690 0.020 . 2 . . . . 113 LEU HD2 . 16689 1 1482 . 1 1 113 113 LEU HG H 1 1.503 0.020 . 1 . . . . 113 LEU HG . 16689 1 1483 . 1 1 113 113 LEU C C 13 178.045 0.3 . 1 . . . . 113 LEU C . 16689 1 1484 . 1 1 113 113 LEU CA C 13 59.534 0.3 . 1 . . . . 113 LEU CA . 16689 1 1485 . 1 1 113 113 LEU CB C 13 39.529 0.3 . 1 . . . . 113 LEU CB . 16689 1 1486 . 1 1 113 113 LEU CD1 C 13 25.062 0.3 . 2 . . . . 113 LEU CD1 . 16689 1 1487 . 1 1 113 113 LEU CD2 C 13 23.857 0.3 . 2 . . . . 113 LEU CD2 . 16689 1 1488 . 1 1 113 113 LEU CG C 13 29.237 0.3 . 1 . . . . 113 LEU CG . 16689 1 1489 . 1 1 113 113 LEU N N 15 120.725 0.3 . 1 . . . . 113 LEU N . 16689 1 1490 . 1 1 114 114 ASP H H 1 8.129 0.020 . 1 . . . . 114 ASP H . 16689 1 1491 . 1 1 114 114 ASP HA H 1 4.164 0.020 . 1 . . . . 114 ASP HA . 16689 1 1492 . 1 1 114 114 ASP HB2 H 1 2.676 0.020 . 2 . . . . 114 ASP HB2 . 16689 1 1493 . 1 1 114 114 ASP HB3 H 1 2.650 0.020 . 2 . . . . 114 ASP HB3 . 16689 1 1494 . 1 1 114 114 ASP C C 13 180.578 0.3 . 1 . . . . 114 ASP C . 16689 1 1495 . 1 1 114 114 ASP CA C 13 57.478 0.3 . 1 . . . . 114 ASP CA . 16689 1 1496 . 1 1 114 114 ASP CB C 13 42.603 0.3 . 1 . . . . 114 ASP CB . 16689 1 1497 . 1 1 114 114 ASP N N 15 121.765 0.3 . 1 . . . . 114 ASP N . 16689 1 1498 . 1 1 115 115 ILE H H 1 7.921 0.020 . 1 . . . . 115 ILE H . 16689 1 1499 . 1 1 115 115 ILE HA H 1 3.904 0.020 . 1 . . . . 115 ILE HA . 16689 1 1500 . 1 1 115 115 ILE HB H 1 1.888 0.020 . 1 . . . . 115 ILE HB . 16689 1 1501 . 1 1 115 115 ILE HD11 H 1 0.753 0.020 . 1 . . . . 115 ILE HD1 . 16689 1 1502 . 1 1 115 115 ILE HD12 H 1 0.753 0.020 . 1 . . . . 115 ILE HD1 . 16689 1 1503 . 1 1 115 115 ILE HD13 H 1 0.753 0.020 . 1 . . . . 115 ILE HD1 . 16689 1 1504 . 1 1 115 115 ILE HG12 H 1 1.487 0.020 . 2 . . . . 115 ILE HG12 . 16689 1 1505 . 1 1 115 115 ILE HG13 H 1 1.291 0.020 . 2 . . . . 115 ILE HG13 . 16689 1 1506 . 1 1 115 115 ILE HG21 H 1 0.856 0.020 . 1 . . . . 115 ILE HG2 . 16689 1 1507 . 1 1 115 115 ILE HG22 H 1 0.856 0.020 . 1 . . . . 115 ILE HG2 . 16689 1 1508 . 1 1 115 115 ILE HG23 H 1 0.856 0.020 . 1 . . . . 115 ILE HG2 . 16689 1 1509 . 1 1 115 115 ILE C C 13 176.536 0.3 . 1 . . . . 115 ILE C . 16689 1 1510 . 1 1 115 115 ILE CA C 13 63.416 0.3 . 1 . . . . 115 ILE CA . 16689 1 1511 . 1 1 115 115 ILE CB C 13 37.680 0.3 . 1 . . . . 115 ILE CB . 16689 1 1512 . 1 1 115 115 ILE CD1 C 13 13.478 0.3 . 1 . . . . 115 ILE CD1 . 16689 1 1513 . 1 1 115 115 ILE CG1 C 13 27.800 0.3 . 1 . . . . 115 ILE CG1 . 16689 1 1514 . 1 1 115 115 ILE CG2 C 13 17.037 0.3 . 1 . . . . 115 ILE CG2 . 16689 1 1515 . 1 1 115 115 ILE N N 15 117.121 0.3 . 1 . . . . 115 ILE N . 16689 1 1516 . 1 1 116 116 ASN H H 1 7.167 0.020 . 1 . . . . 116 ASN H . 16689 1 1517 . 1 1 116 116 ASN HA H 1 4.698 0.020 . 1 . . . . 116 ASN HA . 16689 1 1518 . 1 1 116 116 ASN HB2 H 1 2.847 0.020 . 2 . . . . 116 ASN HB2 . 16689 1 1519 . 1 1 116 116 ASN HB3 H 1 2.302 0.020 . 2 . . . . 116 ASN HB3 . 16689 1 1520 . 1 1 116 116 ASN HD21 H 1 7.217 0.020 . 2 . . . . 116 ASN HD21 . 16689 1 1521 . 1 1 116 116 ASN HD22 H 1 7.892 0.020 . 2 . . . . 116 ASN HD22 . 16689 1 1522 . 1 1 116 116 ASN C C 13 173.704 0.3 . 1 . . . . 116 ASN C . 16689 1 1523 . 1 1 116 116 ASN CA C 13 53.948 0.3 . 1 . . . . 116 ASN CA . 16689 1 1524 . 1 1 116 116 ASN CB C 13 40.750 0.3 . 1 . . . . 116 ASN CB . 16689 1 1525 . 1 1 116 116 ASN N N 15 117.142 0.3 . 1 . . . . 116 ASN N . 16689 1 1526 . 1 1 116 116 ASN ND2 N 15 116.117 0.3 . 1 . . . . 116 ASN ND2 . 16689 1 1527 . 1 1 117 117 GLY H H 1 7.425 0.020 . 1 . . . . 117 GLY H . 16689 1 1528 . 1 1 117 117 GLY HA2 H 1 3.650 0.020 . 2 . . . . 117 GLY HA2 . 16689 1 1529 . 1 1 117 117 GLY HA3 H 1 4.220 0.020 . 2 . . . . 117 GLY HA3 . 16689 1 1530 . 1 1 117 117 GLY C C 13 174.157 0.3 . 1 . . . . 117 GLY C . 16689 1 1531 . 1 1 117 117 GLY CA C 13 45.961 0.3 . 1 . . . . 117 GLY CA . 16689 1 1532 . 1 1 117 117 GLY N N 15 104.525 0.3 . 1 . . . . 117 GLY N . 16689 1 1533 . 1 1 118 118 ILE H H 1 8.137 0.020 . 1 . . . . 118 ILE H . 16689 1 1534 . 1 1 118 118 ILE HA H 1 4.053 0.020 . 1 . . . . 118 ILE HA . 16689 1 1535 . 1 1 118 118 ILE HB H 1 1.487 0.020 . 1 . . . . 118 ILE HB . 16689 1 1536 . 1 1 118 118 ILE HD11 H 1 0.595 0.020 . 1 . . . . 118 ILE HD1 . 16689 1 1537 . 1 1 118 118 ILE HD12 H 1 0.595 0.020 . 1 . . . . 118 ILE HD1 . 16689 1 1538 . 1 1 118 118 ILE HD13 H 1 0.595 0.020 . 1 . . . . 118 ILE HD1 . 16689 1 1539 . 1 1 118 118 ILE HG12 H 1 1.201 0.020 . 2 . . . . 118 ILE HG12 . 16689 1 1540 . 1 1 118 118 ILE HG13 H 1 0.676 0.020 . 2 . . . . 118 ILE HG13 . 16689 1 1541 . 1 1 118 118 ILE HG21 H 1 0.519 0.020 . 1 . . . . 118 ILE HG2 . 16689 1 1542 . 1 1 118 118 ILE HG22 H 1 0.519 0.020 . 1 . . . . 118 ILE HG2 . 16689 1 1543 . 1 1 118 118 ILE HG23 H 1 0.519 0.020 . 1 . . . . 118 ILE HG2 . 16689 1 1544 . 1 1 118 118 ILE C C 13 173.429 0.3 . 1 . . . . 118 ILE C . 16689 1 1545 . 1 1 118 118 ILE CA C 13 59.765 0.3 . 1 . . . . 118 ILE CA . 16689 1 1546 . 1 1 118 118 ILE CB C 13 37.655 0.3 . 1 . . . . 118 ILE CB . 16689 1 1547 . 1 1 118 118 ILE CD1 C 13 13.537 0.3 . 1 . . . . 118 ILE CD1 . 16689 1 1548 . 1 1 118 118 ILE CG1 C 13 26.464 0.3 . 1 . . . . 118 ILE CG1 . 16689 1 1549 . 1 1 118 118 ILE CG2 C 13 16.232 0.3 . 1 . . . . 118 ILE CG2 . 16689 1 1550 . 1 1 118 118 ILE N N 15 123.558 0.3 . 1 . . . . 118 ILE N . 16689 1 1551 . 1 1 119 119 SER H H 1 8.365 0.020 . 1 . . . . 119 SER H . 16689 1 1552 . 1 1 119 119 SER HA H 1 4.439 0.020 . 1 . . . . 119 SER HA . 16689 1 1553 . 1 1 119 119 SER HB2 H 1 4.184 0.020 . 2 . . . . 119 SER HB2 . 16689 1 1554 . 1 1 119 119 SER HB3 H 1 3.921 0.020 . 2 . . . . 119 SER HB3 . 16689 1 1555 . 1 1 119 119 SER C C 13 174.748 0.3 . 1 . . . . 119 SER C . 16689 1 1556 . 1 1 119 119 SER CA C 13 57.966 0.3 . 1 . . . . 119 SER CA . 16689 1 1557 . 1 1 119 119 SER CB C 13 64.711 0.3 . 1 . . . . 119 SER CB . 16689 1 1558 . 1 1 119 119 SER N N 15 121.349 0.3 . 1 . . . . 119 SER N . 16689 1 1559 . 1 1 120 120 SER H H 1 8.755 0.020 . 1 . . . . 120 SER H . 16689 1 1560 . 1 1 120 120 SER HA H 1 4.231 0.020 . 1 . . . . 120 SER HA . 16689 1 1561 . 1 1 120 120 SER HB2 H 1 3.806 0.020 . 2 . . . . 120 SER HB2 . 16689 1 1562 . 1 1 120 120 SER HB3 H 1 3.771 0.020 . 2 . . . . 120 SER HB3 . 16689 1 1563 . 1 1 120 120 SER CA C 13 61.733 0.3 . 1 . . . . 120 SER CA . 16689 1 1564 . 1 1 120 120 SER CB C 13 62.775 0.3 . 1 . . . . 120 SER CB . 16689 1 1565 . 1 1 120 120 SER N N 15 117.995 0.3 . 1 . . . . 120 SER N . 16689 1 1566 . 1 1 121 121 ASP H H 1 8.223 0.020 . 1 . . . . 121 ASP H . 16689 1 1567 . 1 1 121 121 ASP HA H 1 4.319 0.020 . 1 . . . . 121 ASP HA . 16689 1 1568 . 1 1 121 121 ASP HB2 H 1 2.544 0.020 . 2 . . . . 121 ASP HB2 . 16689 1 1569 . 1 1 121 121 ASP HB3 H 1 2.456 0.020 . 2 . . . . 121 ASP HB3 . 16689 1 1570 . 1 1 121 121 ASP C C 13 178.415 0.3 . 1 . . . . 121 ASP C . 16689 1 1571 . 1 1 121 121 ASP CA C 13 56.820 0.3 . 1 . . . . 121 ASP CA . 16689 1 1572 . 1 1 121 121 ASP CB C 13 40.066 0.3 . 1 . . . . 121 ASP CB . 16689 1 1573 . 1 1 121 121 ASP N N 15 117.985 0.3 . 1 . . . . 121 ASP N . 16689 1 1574 . 1 1 122 122 THR H H 1 7.559 0.020 . 1 . . . . 122 THR H . 16689 1 1575 . 1 1 122 122 THR HA H 1 3.725 0.020 . 1 . . . . 122 THR HA . 16689 1 1576 . 1 1 122 122 THR HB H 1 4.176 0.020 . 1 . . . . 122 THR HB . 16689 1 1577 . 1 1 122 122 THR HG21 H 1 0.909 0.020 . 1 . . . . 122 THR HG2 . 16689 1 1578 . 1 1 122 122 THR HG22 H 1 0.909 0.020 . 1 . . . . 122 THR HG2 . 16689 1 1579 . 1 1 122 122 THR HG23 H 1 0.909 0.020 . 1 . . . . 122 THR HG2 . 16689 1 1580 . 1 1 122 122 THR C C 13 174.930 0.3 . 1 . . . . 122 THR C . 16689 1 1581 . 1 1 122 122 THR CA C 13 66.415 0.3 . 1 . . . . 122 THR CA . 16689 1 1582 . 1 1 122 122 THR CB C 13 68.019 0.3 . 1 . . . . 122 THR CB . 16689 1 1583 . 1 1 122 122 THR CG2 C 13 22.136 0.3 . 1 . . . . 122 THR CG2 . 16689 1 1584 . 1 1 122 122 THR N N 15 119.254 0.3 . 1 . . . . 122 THR N . 16689 1 1585 . 1 1 123 123 PHE H H 1 8.423 0.020 . 1 . . . . 123 PHE H . 16689 1 1586 . 1 1 123 123 PHE HA H 1 3.803 0.020 . 1 . . . . 123 PHE HA . 16689 1 1587 . 1 1 123 123 PHE HB2 H 1 3.193 0.020 . 2 . . . . 123 PHE HB2 . 16689 1 1588 . 1 1 123 123 PHE HB3 H 1 2.822 0.020 . 2 . . . . 123 PHE HB3 . 16689 1 1589 . 1 1 123 123 PHE HD1 H 1 7.080 0.020 . 1 . . . . 123 PHE HD1 . 16689 1 1590 . 1 1 123 123 PHE HD2 H 1 7.080 0.020 . 1 . . . . 123 PHE HD2 . 16689 1 1591 . 1 1 123 123 PHE HE1 H 1 6.939 0.020 . 1 . . . . 123 PHE HE1 . 16689 1 1592 . 1 1 123 123 PHE HE2 H 1 6.939 0.020 . 1 . . . . 123 PHE HE2 . 16689 1 1593 . 1 1 123 123 PHE HZ H 1 6.916 0.020 . 1 . . . . 123 PHE HZ . 16689 1 1594 . 1 1 123 123 PHE C C 13 175.898 0.3 . 1 . . . . 123 PHE C . 16689 1 1595 . 1 1 123 123 PHE CA C 13 62.582 0.3 . 1 . . . . 123 PHE CA . 16689 1 1596 . 1 1 123 123 PHE CB C 13 39.269 0.3 . 1 . . . . 123 PHE CB . 16689 1 1597 . 1 1 123 123 PHE CD1 C 13 132.171 0.3 . 1 . . . . 123 PHE CD1 . 16689 1 1598 . 1 1 123 123 PHE CD2 C 13 132.171 0.3 . 1 . . . . 123 PHE CD2 . 16689 1 1599 . 1 1 123 123 PHE CE1 C 13 130.279 0.3 . 1 . . . . 123 PHE CE1 . 16689 1 1600 . 1 1 123 123 PHE CE2 C 13 130.279 0.3 . 1 . . . . 123 PHE CE2 . 16689 1 1601 . 1 1 123 123 PHE CZ C 13 128.774 0.3 . 1 . . . . 123 PHE CZ . 16689 1 1602 . 1 1 123 123 PHE N N 15 121.506 0.3 . 1 . . . . 123 PHE N . 16689 1 1603 . 1 1 124 124 ASP H H 1 8.376 0.020 . 1 . . . . 124 ASP H . 16689 1 1604 . 1 1 124 124 ASP HA H 1 4.137 0.020 . 1 . . . . 124 ASP HA . 16689 1 1605 . 1 1 124 124 ASP HB2 H 1 2.718 0.020 . 2 . . . . 124 ASP HB2 . 16689 1 1606 . 1 1 124 124 ASP HB3 H 1 2.481 0.020 . 2 . . . . 124 ASP HB3 . 16689 1 1607 . 1 1 124 124 ASP C C 13 179.007 0.3 . 1 . . . . 124 ASP C . 16689 1 1608 . 1 1 124 124 ASP CA C 13 57.060 0.3 . 1 . . . . 124 ASP CA . 16689 1 1609 . 1 1 124 124 ASP CB C 13 39.911 0.3 . 1 . . . . 124 ASP CB . 16689 1 1610 . 1 1 124 124 ASP N N 15 117.172 0.3 . 1 . . . . 124 ASP N . 16689 1 1611 . 1 1 125 125 GLN H H 1 7.749 0.020 . 1 . . . . 125 GLN H . 16689 1 1612 . 1 1 125 125 GLN HA H 1 3.968 0.020 . 1 . . . . 125 GLN HA . 16689 1 1613 . 1 1 125 125 GLN HB2 H 1 2.079 0.020 . 2 . . . . 125 GLN HB2 . 16689 1 1614 . 1 1 125 125 GLN HB3 H 1 2.059 0.020 . 2 . . . . 125 GLN HB3 . 16689 1 1615 . 1 1 125 125 GLN HE21 H 1 6.711 0.020 . 2 . . . . 125 GLN HE21 . 16689 1 1616 . 1 1 125 125 GLN HE22 H 1 7.385 0.020 . 2 . . . . 125 GLN HE22 . 16689 1 1617 . 1 1 125 125 GLN HG2 H 1 2.447 0.020 . 2 . . . . 125 GLN HG2 . 16689 1 1618 . 1 1 125 125 GLN HG3 H 1 2.338 0.020 . 2 . . . . 125 GLN HG3 . 16689 1 1619 . 1 1 125 125 GLN C C 13 178.937 0.3 . 1 . . . . 125 GLN C . 16689 1 1620 . 1 1 125 125 GLN CA C 13 58.121 0.3 . 1 . . . . 125 GLN CA . 16689 1 1621 . 1 1 125 125 GLN CB C 13 28.705 0.3 . 1 . . . . 125 GLN CB . 16689 1 1622 . 1 1 125 125 GLN CD C 13 180.533 0.3 . 1 . . . . 125 GLN CD . 16689 1 1623 . 1 1 125 125 GLN CG C 13 33.900 0.3 . 1 . . . . 125 GLN CG . 16689 1 1624 . 1 1 125 125 GLN N N 15 117.969 0.3 . 1 . . . . 125 GLN N . 16689 1 1625 . 1 1 125 125 GLN NE2 N 15 111.674 0.3 . 1 . . . . 125 GLN NE2 . 16689 1 1626 . 1 1 126 126 ASP H H 1 8.763 0.020 . 1 . . . . 126 ASP H . 16689 1 1627 . 1 1 126 126 ASP HA H 1 4.348 0.020 . 1 . . . . 126 ASP HA . 16689 1 1628 . 1 1 126 126 ASP HB2 H 1 2.752 0.020 . 2 . . . . 126 ASP HB2 . 16689 1 1629 . 1 1 126 126 ASP HB3 H 1 2.222 0.020 . 2 . . . . 126 ASP HB3 . 16689 1 1630 . 1 1 126 126 ASP C C 13 181.272 0.3 . 1 . . . . 126 ASP C . 16689 1 1631 . 1 1 126 126 ASP CA C 13 57.752 0.3 . 1 . . . . 126 ASP CA . 16689 1 1632 . 1 1 126 126 ASP CB C 13 40.580 0.3 . 1 . . . . 126 ASP CB . 16689 1 1633 . 1 1 126 126 ASP N N 15 121.023 0.3 . 1 . . . . 126 ASP N . 16689 1 1634 . 1 1 127 127 ILE H H 1 8.500 0.020 . 1 . . . . 127 ILE H . 16689 1 1635 . 1 1 127 127 ILE HA H 1 3.825 0.020 . 1 . . . . 127 ILE HA . 16689 1 1636 . 1 1 127 127 ILE HB H 1 1.707 0.020 . 1 . . . . 127 ILE HB . 16689 1 1637 . 1 1 127 127 ILE HD11 H 1 0.548 0.020 . 1 . . . . 127 ILE HD1 . 16689 1 1638 . 1 1 127 127 ILE HD12 H 1 0.548 0.020 . 1 . . . . 127 ILE HD1 . 16689 1 1639 . 1 1 127 127 ILE HD13 H 1 0.548 0.020 . 1 . . . . 127 ILE HD1 . 16689 1 1640 . 1 1 127 127 ILE HG12 H 1 1.148 0.020 . 2 . . . . 127 ILE HG12 . 16689 1 1641 . 1 1 127 127 ILE HG13 H 1 0.984 0.020 . 2 . . . . 127 ILE HG13 . 16689 1 1642 . 1 1 127 127 ILE HG21 H 1 0.196 0.020 . 1 . . . . 127 ILE HG2 . 16689 1 1643 . 1 1 127 127 ILE HG22 H 1 0.196 0.020 . 1 . . . . 127 ILE HG2 . 16689 1 1644 . 1 1 127 127 ILE HG23 H 1 0.196 0.020 . 1 . . . . 127 ILE HG2 . 16689 1 1645 . 1 1 127 127 ILE C C 13 173.962 0.3 . 1 . . . . 127 ILE C . 16689 1 1646 . 1 1 127 127 ILE CA C 13 64.590 0.3 . 1 . . . . 127 ILE CA . 16689 1 1647 . 1 1 127 127 ILE CB C 13 36.825 0.3 . 1 . . . . 127 ILE CB . 16689 1 1648 . 1 1 127 127 ILE CD1 C 13 14.282 0.3 . 1 . . . . 127 ILE CD1 . 16689 1 1649 . 1 1 127 127 ILE CG1 C 13 25.515 0.3 . 1 . . . . 127 ILE CG1 . 16689 1 1650 . 1 1 127 127 ILE CG2 C 13 18.522 0.3 . 1 . . . . 127 ILE CG2 . 16689 1 1651 . 1 1 127 127 ILE N N 15 115.943 0.3 . 1 . . . . 127 ILE N . 16689 1 1652 . 1 1 128 128 ALA H H 1 6.551 0.020 . 1 . . . . 128 ALA H . 16689 1 1653 . 1 1 128 128 ALA HA H 1 4.440 0.020 . 1 . . . . 128 ALA HA . 16689 1 1654 . 1 1 128 128 ALA HB1 H 1 1.345 0.020 . 1 . . . . 128 ALA HB . 16689 1 1655 . 1 1 128 128 ALA HB2 H 1 1.345 0.020 . 1 . . . . 128 ALA HB . 16689 1 1656 . 1 1 128 128 ALA HB3 H 1 1.345 0.020 . 1 . . . . 128 ALA HB . 16689 1 1657 . 1 1 128 128 ALA C C 13 176.971 0.3 . 1 . . . . 128 ALA C . 16689 1 1658 . 1 1 128 128 ALA CA C 13 50.677 0.3 . 1 . . . . 128 ALA CA . 16689 1 1659 . 1 1 128 128 ALA CB C 13 19.078 0.3 . 1 . . . . 128 ALA CB . 16689 1 1660 . 1 1 128 128 ALA N N 15 119.362 0.3 . 1 . . . . 128 ALA N . 16689 1 1661 . 1 1 129 129 SER H H 1 7.777 0.020 . 1 . . . . 129 SER H . 16689 1 1662 . 1 1 129 129 SER HA H 1 4.463 0.020 . 1 . . . . 129 SER HA . 16689 1 1663 . 1 1 129 129 SER HB2 H 1 4.180 0.020 . 2 . . . . 129 SER HB2 . 16689 1 1664 . 1 1 129 129 SER HB3 H 1 4.062 0.020 . 2 . . . . 129 SER HB3 . 16689 1 1665 . 1 1 129 129 SER C C 13 173.537 0.3 . 1 . . . . 129 SER C . 16689 1 1666 . 1 1 129 129 SER CA C 13 57.211 0.3 . 1 . . . . 129 SER CA . 16689 1 1667 . 1 1 129 129 SER CB C 13 65.396 0.3 . 1 . . . . 129 SER CB . 16689 1 1668 . 1 1 129 129 SER N N 15 117.545 0.3 . 1 . . . . 129 SER N . 16689 1 1669 . 1 1 130 130 MET H H 1 9.063 0.020 . 1 . . . . 130 MET H . 16689 1 1670 . 1 1 130 130 MET HA H 1 4.366 0.020 . 1 . . . . 130 MET HA . 16689 1 1671 . 1 1 130 130 MET HB2 H 1 2.147 0.020 . 2 . . . . 130 MET HB2 . 16689 1 1672 . 1 1 130 130 MET HB3 H 1 2.077 0.020 . 2 . . . . 130 MET HB3 . 16689 1 1673 . 1 1 130 130 MET HE1 H 1 2.039 0.020 . 1 . . . . 130 MET HE . 16689 1 1674 . 1 1 130 130 MET HE2 H 1 2.039 0.020 . 1 . . . . 130 MET HE . 16689 1 1675 . 1 1 130 130 MET HE3 H 1 2.039 0.020 . 1 . . . . 130 MET HE . 16689 1 1676 . 1 1 130 130 MET HG2 H 1 2.699 0.020 . 2 . . . . 130 MET HG2 . 16689 1 1677 . 1 1 130 130 MET HG3 H 1 2.592 0.020 . 2 . . . . 130 MET HG3 . 16689 1 1678 . 1 1 130 130 MET C C 13 175.612 0.3 . 1 . . . . 130 MET C . 16689 1 1679 . 1 1 130 130 MET CA C 13 58.889 0.3 . 1 . . . . 130 MET CA . 16689 1 1680 . 1 1 130 130 MET CB C 13 29.424 0.3 . 1 . . . . 130 MET CB . 16689 1 1681 . 1 1 130 130 MET CE C 13 16.682 0.3 . 1 . . . . 130 MET CE . 16689 1 1682 . 1 1 130 130 MET CG C 13 32.019 0.3 . 1 . . . . 130 MET CG . 16689 1 1683 . 1 1 130 130 MET N N 15 123.634 0.3 . 1 . . . . 130 MET N . 16689 1 1684 . 1 1 131 131 PRO HA H 1 4.282 0.020 . 1 . . . . 131 PRO HA . 16689 1 1685 . 1 1 131 131 PRO HB2 H 1 2.319 0.020 . 2 . . . . 131 PRO HB2 . 16689 1 1686 . 1 1 131 131 PRO HB3 H 1 1.669 0.020 . 2 . . . . 131 PRO HB3 . 16689 1 1687 . 1 1 131 131 PRO HD2 H 1 3.803 0.020 . 2 . . . . 131 PRO HD2 . 16689 1 1688 . 1 1 131 131 PRO HD3 H 1 3.530 0.020 . 2 . . . . 131 PRO HD3 . 16689 1 1689 . 1 1 131 131 PRO HG2 H 1 2.047 0.020 . 2 . . . . 131 PRO HG2 . 16689 1 1690 . 1 1 131 131 PRO HG3 H 1 1.898 0.020 . 2 . . . . 131 PRO HG3 . 16689 1 1691 . 1 1 131 131 PRO C C 13 180.058 0.3 . 1 . . . . 131 PRO C . 16689 1 1692 . 1 1 131 131 PRO CA C 13 65.826 0.3 . 1 . . . . 131 PRO CA . 16689 1 1693 . 1 1 131 131 PRO CB C 13 31.449 0.3 . 1 . . . . 131 PRO CB . 16689 1 1694 . 1 1 131 131 PRO CD C 13 50.327 0.3 . 1 . . . . 131 PRO CD . 16689 1 1695 . 1 1 131 131 PRO CG C 13 28.369 0.3 . 1 . . . . 131 PRO CG . 16689 1 1696 . 1 1 132 132 ILE H H 1 6.728 0.020 . 1 . . . . 132 ILE H . 16689 1 1697 . 1 1 132 132 ILE HA H 1 3.843 0.020 . 1 . . . . 132 ILE HA . 16689 1 1698 . 1 1 132 132 ILE HB H 1 2.219 0.020 . 1 . . . . 132 ILE HB . 16689 1 1699 . 1 1 132 132 ILE HD11 H 1 0.536 0.020 . 1 . . . . 132 ILE HD1 . 16689 1 1700 . 1 1 132 132 ILE HD12 H 1 0.536 0.020 . 1 . . . . 132 ILE HD1 . 16689 1 1701 . 1 1 132 132 ILE HD13 H 1 0.536 0.020 . 1 . . . . 132 ILE HD1 . 16689 1 1702 . 1 1 132 132 ILE HG12 H 1 1.269 0.020 . 2 . . . . 132 ILE HG12 . 16689 1 1703 . 1 1 132 132 ILE HG13 H 1 1.144 0.020 . 2 . . . . 132 ILE HG13 . 16689 1 1704 . 1 1 132 132 ILE HG21 H 1 0.693 0.020 . 1 . . . . 132 ILE HG2 . 16689 1 1705 . 1 1 132 132 ILE HG22 H 1 0.693 0.020 . 1 . . . . 132 ILE HG2 . 16689 1 1706 . 1 1 132 132 ILE HG23 H 1 0.693 0.020 . 1 . . . . 132 ILE HG2 . 16689 1 1707 . 1 1 132 132 ILE C C 13 176.770 0.3 . 1 . . . . 132 ILE C . 16689 1 1708 . 1 1 132 132 ILE CA C 13 61.936 0.3 . 1 . . . . 132 ILE CA . 16689 1 1709 . 1 1 132 132 ILE CB C 13 34.980 0.3 . 1 . . . . 132 ILE CB . 16689 1 1710 . 1 1 132 132 ILE CD1 C 13 9.570 0.3 . 1 . . . . 132 ILE CD1 . 16689 1 1711 . 1 1 132 132 ILE CG1 C 13 27.374 0.3 . 1 . . . . 132 ILE CG1 . 16689 1 1712 . 1 1 132 132 ILE CG2 C 13 17.371 0.3 . 1 . . . . 132 ILE CG2 . 16689 1 1713 . 1 1 132 132 ILE N N 15 118.006 0.3 . 1 . . . . 132 ILE N . 16689 1 1714 . 1 1 133 133 ILE H H 1 7.931 0.020 . 1 . . . . 133 ILE H . 16689 1 1715 . 1 1 133 133 ILE HA H 1 3.521 0.020 . 1 . . . . 133 ILE HA . 16689 1 1716 . 1 1 133 133 ILE HB H 1 1.711 0.020 . 1 . . . . 133 ILE HB . 16689 1 1717 . 1 1 133 133 ILE HD11 H 1 0.674 0.020 . 1 . . . . 133 ILE HD1 . 16689 1 1718 . 1 1 133 133 ILE HD12 H 1 0.674 0.020 . 1 . . . . 133 ILE HD1 . 16689 1 1719 . 1 1 133 133 ILE HD13 H 1 0.674 0.020 . 1 . . . . 133 ILE HD1 . 16689 1 1720 . 1 1 133 133 ILE HG12 H 1 1.678 0.020 . 2 . . . . 133 ILE HG12 . 16689 1 1721 . 1 1 133 133 ILE HG13 H 1 0.924 0.020 . 2 . . . . 133 ILE HG13 . 16689 1 1722 . 1 1 133 133 ILE HG21 H 1 0.835 0.020 . 1 . . . . 133 ILE HG2 . 16689 1 1723 . 1 1 133 133 ILE HG22 H 1 0.835 0.020 . 1 . . . . 133 ILE HG2 . 16689 1 1724 . 1 1 133 133 ILE HG23 H 1 0.835 0.020 . 1 . . . . 133 ILE HG2 . 16689 1 1725 . 1 1 133 133 ILE C C 13 180.239 0.3 . 1 . . . . 133 ILE C . 16689 1 1726 . 1 1 133 133 ILE CA C 13 65.574 0.3 . 1 . . . . 133 ILE CA . 16689 1 1727 . 1 1 133 133 ILE CB C 13 38.627 0.3 . 1 . . . . 133 ILE CB . 16689 1 1728 . 1 1 133 133 ILE CD1 C 13 13.714 0.3 . 1 . . . . 133 ILE CD1 . 16689 1 1729 . 1 1 133 133 ILE CG1 C 13 29.456 0.3 . 1 . . . . 133 ILE CG1 . 16689 1 1730 . 1 1 133 133 ILE CG2 C 13 16.454 0.3 . 1 . . . . 133 ILE CG2 . 16689 1 1731 . 1 1 133 133 ILE N N 15 121.465 0.3 . 1 . . . . 133 ILE N . 16689 1 1732 . 1 1 134 134 ALA H H 1 8.921 0.020 . 1 . . . . 134 ALA H . 16689 1 1733 . 1 1 134 134 ALA HA H 1 4.134 0.020 . 1 . . . . 134 ALA HA . 16689 1 1734 . 1 1 134 134 ALA HB1 H 1 1.377 0.020 . 1 . . . . 134 ALA HB . 16689 1 1735 . 1 1 134 134 ALA HB2 H 1 1.377 0.020 . 1 . . . . 134 ALA HB . 16689 1 1736 . 1 1 134 134 ALA HB3 H 1 1.377 0.020 . 1 . . . . 134 ALA HB . 16689 1 1737 . 1 1 134 134 ALA C C 13 180.570 0.3 . 1 . . . . 134 ALA C . 16689 1 1738 . 1 1 134 134 ALA CA C 13 54.517 0.3 . 1 . . . . 134 ALA CA . 16689 1 1739 . 1 1 134 134 ALA CB C 13 17.943 0.3 . 1 . . . . 134 ALA CB . 16689 1 1740 . 1 1 134 134 ALA N N 15 120.853 0.3 . 1 . . . . 134 ALA N . 16689 1 1741 . 1 1 135 135 ALA H H 1 7.658 0.020 . 1 . . . . 135 ALA H . 16689 1 1742 . 1 1 135 135 ALA HA H 1 4.246 0.020 . 1 . . . . 135 ALA HA . 16689 1 1743 . 1 1 135 135 ALA HB1 H 1 1.596 0.020 . 1 . . . . 135 ALA HB . 16689 1 1744 . 1 1 135 135 ALA HB2 H 1 1.596 0.020 . 1 . . . . 135 ALA HB . 16689 1 1745 . 1 1 135 135 ALA HB3 H 1 1.596 0.020 . 1 . . . . 135 ALA HB . 16689 1 1746 . 1 1 135 135 ALA C C 13 180.304 0.3 . 1 . . . . 135 ALA C . 16689 1 1747 . 1 1 135 135 ALA CA C 13 54.503 0.3 . 1 . . . . 135 ALA CA . 16689 1 1748 . 1 1 135 135 ALA CB C 13 18.892 0.3 . 1 . . . . 135 ALA CB . 16689 1 1749 . 1 1 135 135 ALA N N 15 122.009 0.3 . 1 . . . . 135 ALA N . 16689 1 1750 . 1 1 136 136 GLU H H 1 8.343 0.020 . 1 . . . . 136 GLU H . 16689 1 1751 . 1 1 136 136 GLU HA H 1 3.912 0.020 . 1 . . . . 136 GLU HA . 16689 1 1752 . 1 1 136 136 GLU HB2 H 1 2.357 0.020 . 2 . . . . 136 GLU HB2 . 16689 1 1753 . 1 1 136 136 GLU HB3 H 1 1.650 0.020 . 2 . . . . 136 GLU HB3 . 16689 1 1754 . 1 1 136 136 GLU HG2 H 1 2.423 0.020 . 2 . . . . 136 GLU HG2 . 16689 1 1755 . 1 1 136 136 GLU HG3 H 1 2.404 0.020 . 2 . . . . 136 GLU HG3 . 16689 1 1756 . 1 1 136 136 GLU C C 13 178.296 0.3 . 1 . . . . 136 GLU C . 16689 1 1757 . 1 1 136 136 GLU CA C 13 61.307 0.3 . 1 . . . . 136 GLU CA . 16689 1 1758 . 1 1 136 136 GLU CB C 13 28.194 0.3 . 1 . . . . 136 GLU CB . 16689 1 1759 . 1 1 136 136 GLU CG C 13 37.098 0.3 . 1 . . . . 136 GLU CG . 16689 1 1760 . 1 1 136 136 GLU N N 15 123.514 0.3 . 1 . . . . 136 GLU N . 16689 1 1761 . 1 1 137 137 GLN H H 1 8.088 0.020 . 1 . . . . 137 GLN H . 16689 1 1762 . 1 1 137 137 GLN HA H 1 3.725 0.020 . 1 . . . . 137 GLN HA . 16689 1 1763 . 1 1 137 137 GLN HB2 H 1 2.207 0.020 . 2 . . . . 137 GLN HB2 . 16689 1 1764 . 1 1 137 137 GLN HB3 H 1 2.034 0.020 . 2 . . . . 137 GLN HB3 . 16689 1 1765 . 1 1 137 137 GLN HE21 H 1 6.692 0.020 . 2 . . . . 137 GLN HE21 . 16689 1 1766 . 1 1 137 137 GLN HE22 H 1 7.687 0.020 . 2 . . . . 137 GLN HE22 . 16689 1 1767 . 1 1 137 137 GLN HG2 H 1 2.343 0.020 . 1 . . . . 137 GLN HG2 . 16689 1 1768 . 1 1 137 137 GLN HG3 H 1 2.343 0.020 . 1 . . . . 137 GLN HG3 . 16689 1 1769 . 1 1 137 137 GLN C C 13 178.265 0.3 . 1 . . . . 137 GLN C . 16689 1 1770 . 1 1 137 137 GLN CA C 13 58.247 0.3 . 1 . . . . 137 GLN CA . 16689 1 1771 . 1 1 137 137 GLN CB C 13 27.875 0.3 . 1 . . . . 137 GLN CB . 16689 1 1772 . 1 1 137 137 GLN CD C 13 179.864 0.3 . 1 . . . . 137 GLN CD . 16689 1 1773 . 1 1 137 137 GLN CG C 13 33.472 0.3 . 1 . . . . 137 GLN CG . 16689 1 1774 . 1 1 137 137 GLN N N 15 119.459 0.3 . 1 . . . . 137 GLN N . 16689 1 1775 . 1 1 137 137 GLN NE2 N 15 115.031 0.3 . 1 . . . . 137 GLN NE2 . 16689 1 1776 . 1 1 138 138 ALA H H 1 8.186 0.020 . 1 . . . . 138 ALA H . 16689 1 1777 . 1 1 138 138 ALA HA H 1 4.219 0.020 . 1 . . . . 138 ALA HA . 16689 1 1778 . 1 1 138 138 ALA HB1 H 1 1.489 0.020 . 1 . . . . 138 ALA HB . 16689 1 1779 . 1 1 138 138 ALA HB2 H 1 1.489 0.020 . 1 . . . . 138 ALA HB . 16689 1 1780 . 1 1 138 138 ALA HB3 H 1 1.489 0.020 . 1 . . . . 138 ALA HB . 16689 1 1781 . 1 1 138 138 ALA C C 13 180.512 0.3 . 1 . . . . 138 ALA C . 16689 1 1782 . 1 1 138 138 ALA CA C 13 54.789 0.3 . 1 . . . . 138 ALA CA . 16689 1 1783 . 1 1 138 138 ALA CB C 13 17.655 0.3 . 1 . . . . 138 ALA CB . 16689 1 1784 . 1 1 138 138 ALA N N 15 120.861 0.3 . 1 . . . . 138 ALA N . 16689 1 1785 . 1 1 139 139 MET H H 1 7.531 0.020 . 1 . . . . 139 MET H . 16689 1 1786 . 1 1 139 139 MET HA H 1 4.395 0.020 . 1 . . . . 139 MET HA . 16689 1 1787 . 1 1 139 139 MET HB2 H 1 2.548 0.020 . 2 . . . . 139 MET HB2 . 16689 1 1788 . 1 1 139 139 MET HB3 H 1 2.180 0.020 . 2 . . . . 139 MET HB3 . 16689 1 1789 . 1 1 139 139 MET HE1 H 1 2.395 0.020 . 1 . . . . 139 MET HE . 16689 1 1790 . 1 1 139 139 MET HE2 H 1 2.395 0.020 . 1 . . . . 139 MET HE . 16689 1 1791 . 1 1 139 139 MET HE3 H 1 2.395 0.020 . 1 . . . . 139 MET HE . 16689 1 1792 . 1 1 139 139 MET HG2 H 1 3.022 0.020 . 2 . . . . 139 MET HG2 . 16689 1 1793 . 1 1 139 139 MET HG3 H 1 2.536 0.020 . 2 . . . . 139 MET HG3 . 16689 1 1794 . 1 1 139 139 MET C C 13 179.495 0.3 . 1 . . . . 139 MET C . 16689 1 1795 . 1 1 139 139 MET CA C 13 59.660 0.3 . 1 . . . . 139 MET CA . 16689 1 1796 . 1 1 139 139 MET CB C 13 31.674 0.3 . 1 . . . . 139 MET CB . 16689 1 1797 . 1 1 139 139 MET CE C 13 17.439 0.3 . 1 . . . . 139 MET CE . 16689 1 1798 . 1 1 139 139 MET CG C 13 33.489 0.3 . 1 . . . . 139 MET CG . 16689 1 1799 . 1 1 139 139 MET N N 15 118.783 0.3 . 1 . . . . 139 MET N . 16689 1 1800 . 1 1 140 140 GLN H H 1 7.703 0.020 . 1 . . . . 140 GLN H . 16689 1 1801 . 1 1 140 140 GLN HA H 1 3.753 0.020 . 1 . . . . 140 GLN HA . 16689 1 1802 . 1 1 140 140 GLN HB2 H 1 2.065 0.020 . 1 . . . . 140 GLN HB2 . 16689 1 1803 . 1 1 140 140 GLN HB3 H 1 2.065 0.020 . 1 . . . . 140 GLN HB3 . 16689 1 1804 . 1 1 140 140 GLN HE21 H 1 6.551 0.020 . 2 . . . . 140 GLN HE21 . 16689 1 1805 . 1 1 140 140 GLN HE22 H 1 9.139 0.020 . 2 . . . . 140 GLN HE22 . 16689 1 1806 . 1 1 140 140 GLN HG2 H 1 2.477 0.020 . 2 . . . . 140 GLN HG2 . 16689 1 1807 . 1 1 140 140 GLN HG3 H 1 1.862 0.020 . 2 . . . . 140 GLN HG3 . 16689 1 1808 . 1 1 140 140 GLN C C 13 177.991 0.3 . 1 . . . . 140 GLN C . 16689 1 1809 . 1 1 140 140 GLN CA C 13 60.001 0.3 . 1 . . . . 140 GLN CA . 16689 1 1810 . 1 1 140 140 GLN CB C 13 28.898 0.3 . 1 . . . . 140 GLN CB . 16689 1 1811 . 1 1 140 140 GLN CD C 13 180.444 0.3 . 1 . . . . 140 GLN CD . 16689 1 1812 . 1 1 140 140 GLN CG C 13 34.797 0.3 . 1 . . . . 140 GLN CG . 16689 1 1813 . 1 1 140 140 GLN N N 15 120.442 0.3 . 1 . . . . 140 GLN N . 16689 1 1814 . 1 1 140 140 GLN NE2 N 15 118.274 0.3 . 1 . . . . 140 GLN NE2 . 16689 1 1815 . 1 1 141 141 ASP H H 1 9.016 0.020 . 1 . . . . 141 ASP H . 16689 1 1816 . 1 1 141 141 ASP HA H 1 4.314 0.020 . 1 . . . . 141 ASP HA . 16689 1 1817 . 1 1 141 141 ASP HB2 H 1 2.736 0.020 . 2 . . . . 141 ASP HB2 . 16689 1 1818 . 1 1 141 141 ASP HB3 H 1 2.610 0.020 . 2 . . . . 141 ASP HB3 . 16689 1 1819 . 1 1 141 141 ASP C C 13 179.575 0.3 . 1 . . . . 141 ASP C . 16689 1 1820 . 1 1 141 141 ASP CA C 13 57.283 0.3 . 1 . . . . 141 ASP CA . 16689 1 1821 . 1 1 141 141 ASP CB C 13 40.030 0.3 . 1 . . . . 141 ASP CB . 16689 1 1822 . 1 1 141 141 ASP N N 15 120.906 0.3 . 1 . . . . 141 ASP N . 16689 1 1823 . 1 1 142 142 LYS H H 1 8.282 0.020 . 1 . . . . 142 LYS H . 16689 1 1824 . 1 1 142 142 LYS HA H 1 3.986 0.020 . 1 . . . . 142 LYS HA . 16689 1 1825 . 1 1 142 142 LYS HB2 H 1 2.273 0.020 . 2 . . . . 142 LYS HB2 . 16689 1 1826 . 1 1 142 142 LYS HB3 H 1 1.998 0.020 . 2 . . . . 142 LYS HB3 . 16689 1 1827 . 1 1 142 142 LYS HD2 H 1 1.752 0.020 . 1 . . . . 142 LYS HD2 . 16689 1 1828 . 1 1 142 142 LYS HD3 H 1 1.752 0.020 . 1 . . . . 142 LYS HD3 . 16689 1 1829 . 1 1 142 142 LYS HE2 H 1 3.030 0.020 . 2 . . . . 142 LYS HE2 . 16689 1 1830 . 1 1 142 142 LYS HE3 H 1 2.925 0.020 . 2 . . . . 142 LYS HE3 . 16689 1 1831 . 1 1 142 142 LYS HG2 H 1 1.639 0.020 . 1 . . . . 142 LYS HG2 . 16689 1 1832 . 1 1 142 142 LYS HG3 H 1 1.639 0.020 . 1 . . . . 142 LYS HG3 . 16689 1 1833 . 1 1 142 142 LYS C C 13 178.142 0.3 . 1 . . . . 142 LYS C . 16689 1 1834 . 1 1 142 142 LYS CA C 13 60.488 0.3 . 1 . . . . 142 LYS CA . 16689 1 1835 . 1 1 142 142 LYS CB C 13 32.268 0.3 . 1 . . . . 142 LYS CB . 16689 1 1836 . 1 1 142 142 LYS CD C 13 29.629 0.3 . 1 . . . . 142 LYS CD . 16689 1 1837 . 1 1 142 142 LYS CE C 13 42.291 0.3 . 1 . . . . 142 LYS CE . 16689 1 1838 . 1 1 142 142 LYS CG C 13 26.958 0.3 . 1 . . . . 142 LYS CG . 16689 1 1839 . 1 1 142 142 LYS N N 15 121.936 0.3 . 1 . . . . 142 LYS N . 16689 1 1840 . 1 1 143 143 GLN H H 1 7.796 0.020 . 1 . . . . 143 GLN H . 16689 1 1841 . 1 1 143 143 GLN HA H 1 3.686 0.020 . 1 . . . . 143 GLN HA . 16689 1 1842 . 1 1 143 143 GLN HB2 H 1 2.366 0.020 . 2 . . . . 143 GLN HB2 . 16689 1 1843 . 1 1 143 143 GLN HB3 H 1 2.174 0.020 . 2 . . . . 143 GLN HB3 . 16689 1 1844 . 1 1 143 143 GLN HE21 H 1 7.663 0.020 . 2 . . . . 143 GLN HE21 . 16689 1 1845 . 1 1 143 143 GLN HE22 H 1 7.405 0.020 . 2 . . . . 143 GLN HE22 . 16689 1 1846 . 1 1 143 143 GLN HG2 H 1 2.154 0.020 . 2 . . . . 143 GLN HG2 . 16689 1 1847 . 1 1 143 143 GLN HG3 H 1 1.744 0.020 . 2 . . . . 143 GLN HG3 . 16689 1 1848 . 1 1 143 143 GLN C C 13 177.786 0.3 . 1 . . . . 143 GLN C . 16689 1 1849 . 1 1 143 143 GLN CA C 13 58.567 0.3 . 1 . . . . 143 GLN CA . 16689 1 1850 . 1 1 143 143 GLN CB C 13 29.567 0.3 . 1 . . . . 143 GLN CB . 16689 1 1851 . 1 1 143 143 GLN CD C 13 179.975 0.3 . 1 . . . . 143 GLN CD . 16689 1 1852 . 1 1 143 143 GLN CG C 13 33.624 0.3 . 1 . . . . 143 GLN CG . 16689 1 1853 . 1 1 143 143 GLN N N 15 118.973 0.3 . 1 . . . . 143 GLN N . 16689 1 1854 . 1 1 143 143 GLN NE2 N 15 112.316 0.3 . 1 . . . . 143 GLN NE2 . 16689 1 1855 . 1 1 144 144 ASN H H 1 8.684 0.020 . 1 . . . . 144 ASN H . 16689 1 1856 . 1 1 144 144 ASN HA H 1 4.488 0.020 . 1 . . . . 144 ASN HA . 16689 1 1857 . 1 1 144 144 ASN HB2 H 1 2.843 0.020 . 2 . . . . 144 ASN HB2 . 16689 1 1858 . 1 1 144 144 ASN HB3 H 1 2.753 0.020 . 2 . . . . 144 ASN HB3 . 16689 1 1859 . 1 1 144 144 ASN HD21 H 1 7.374 0.020 . 2 . . . . 144 ASN HD21 . 16689 1 1860 . 1 1 144 144 ASN HD22 H 1 7.656 0.020 . 2 . . . . 144 ASN HD22 . 16689 1 1861 . 1 1 144 144 ASN C C 13 177.423 0.3 . 1 . . . . 144 ASN C . 16689 1 1862 . 1 1 144 144 ASN CA C 13 55.756 0.3 . 1 . . . . 144 ASN CA . 16689 1 1863 . 1 1 144 144 ASN CB C 13 37.614 0.3 . 1 . . . . 144 ASN CB . 16689 1 1864 . 1 1 144 144 ASN CG C 13 176.139 0.3 . 1 . . . . 144 ASN CG . 16689 1 1865 . 1 1 144 144 ASN N N 15 117.887 0.3 . 1 . . . . 144 ASN N . 16689 1 1866 . 1 1 144 144 ASN ND2 N 15 114.420 0.3 . 1 . . . . 144 ASN ND2 . 16689 1 1867 . 1 1 145 145 LYS H H 1 8.194 0.020 . 1 . . . . 145 LYS H . 16689 1 1868 . 1 1 145 145 LYS HA H 1 3.896 0.020 . 1 . . . . 145 LYS HA . 16689 1 1869 . 1 1 145 145 LYS HB2 H 1 1.766 0.020 . 2 . . . . 145 LYS HB2 . 16689 1 1870 . 1 1 145 145 LYS HB3 H 1 1.720 0.020 . 2 . . . . 145 LYS HB3 . 16689 1 1871 . 1 1 145 145 LYS HD2 H 1 1.406 0.020 . 1 . . . . 145 LYS HD2 . 16689 1 1872 . 1 1 145 145 LYS HD3 H 1 1.406 0.020 . 1 . . . . 145 LYS HD3 . 16689 1 1873 . 1 1 145 145 LYS HE2 H 1 2.629 0.020 . 1 . . . . 145 LYS HE2 . 16689 1 1874 . 1 1 145 145 LYS HE3 H 1 2.629 0.020 . 1 . . . . 145 LYS HE3 . 16689 1 1875 . 1 1 145 145 LYS HG2 H 1 1.143 0.020 . 2 . . . . 145 LYS HG2 . 16689 1 1876 . 1 1 145 145 LYS HG3 H 1 0.755 0.020 . 2 . . . . 145 LYS HG3 . 16689 1 1877 . 1 1 145 145 LYS C C 13 178.867 0.3 . 1 . . . . 145 LYS C . 16689 1 1878 . 1 1 145 145 LYS CA C 13 59.205 0.3 . 1 . . . . 145 LYS CA . 16689 1 1879 . 1 1 145 145 LYS CB C 13 31.969 0.3 . 1 . . . . 145 LYS CB . 16689 1 1880 . 1 1 145 145 LYS CD C 13 29.259 0.3 . 1 . . . . 145 LYS CD . 16689 1 1881 . 1 1 145 145 LYS CE C 13 41.431 0.3 . 1 . . . . 145 LYS CE . 16689 1 1882 . 1 1 145 145 LYS CG C 13 23.889 0.3 . 1 . . . . 145 LYS CG . 16689 1 1883 . 1 1 145 145 LYS N N 15 123.119 0.3 . 1 . . . . 145 LYS N . 16689 1 1884 . 1 1 146 146 TYR H H 1 7.976 0.020 . 1 . . . . 146 TYR H . 16689 1 1885 . 1 1 146 146 TYR HA H 1 3.946 0.020 . 1 . . . . 146 TYR HA . 16689 1 1886 . 1 1 146 146 TYR HB2 H 1 2.451 0.020 . 2 . . . . 146 TYR HB2 . 16689 1 1887 . 1 1 146 146 TYR HB3 H 1 2.386 0.020 . 2 . . . . 146 TYR HB3 . 16689 1 1888 . 1 1 146 146 TYR HD1 H 1 6.877 0.020 . 1 . . . . 146 TYR HD1 . 16689 1 1889 . 1 1 146 146 TYR HD2 H 1 6.877 0.020 . 1 . . . . 146 TYR HD2 . 16689 1 1890 . 1 1 146 146 TYR HE1 H 1 6.626 0.020 . 1 . . . . 146 TYR HE1 . 16689 1 1891 . 1 1 146 146 TYR HE2 H 1 6.626 0.020 . 1 . . . . 146 TYR HE2 . 16689 1 1892 . 1 1 146 146 TYR C C 13 179.104 0.3 . 1 . . . . 146 TYR C . 16689 1 1893 . 1 1 146 146 TYR CA C 13 62.660 0.3 . 1 . . . . 146 TYR CA . 16689 1 1894 . 1 1 146 146 TYR CB C 13 38.400 0.3 . 1 . . . . 146 TYR CB . 16689 1 1895 . 1 1 146 146 TYR CD1 C 13 131.787 0.3 . 1 . . . . 146 TYR CD1 . 16689 1 1896 . 1 1 146 146 TYR CD2 C 13 131.787 0.3 . 1 . . . . 146 TYR CD2 . 16689 1 1897 . 1 1 146 146 TYR CE1 C 13 117.301 0.3 . 1 . . . . 146 TYR CE1 . 16689 1 1898 . 1 1 146 146 TYR CE2 C 13 117.301 0.3 . 1 . . . . 146 TYR CE2 . 16689 1 1899 . 1 1 146 146 TYR N N 15 114.825 0.3 . 1 . . . . 146 TYR N . 16689 1 1900 . 1 1 147 147 SER H H 1 8.708 0.020 . 1 . . . . 147 SER H . 16689 1 1901 . 1 1 147 147 SER HA H 1 4.411 0.020 . 1 . . . . 147 SER HA . 16689 1 1902 . 1 1 147 147 SER HB2 H 1 3.978 0.020 . 2 . . . . 147 SER HB2 . 16689 1 1903 . 1 1 147 147 SER HB3 H 1 3.924 0.020 . 2 . . . . 147 SER HB3 . 16689 1 1904 . 1 1 147 147 SER C C 13 178.474 0.3 . 1 . . . . 147 SER C . 16689 1 1905 . 1 1 147 147 SER CA C 13 61.472 0.3 . 1 . . . . 147 SER CA . 16689 1 1906 . 1 1 147 147 SER CB C 13 62.470 0.3 . 1 . . . . 147 SER CB . 16689 1 1907 . 1 1 147 147 SER N N 15 119.330 0.3 . 1 . . . . 147 SER N . 16689 1 1908 . 1 1 148 148 LYS H H 1 8.067 0.020 . 1 . . . . 148 LYS H . 16689 1 1909 . 1 1 148 148 LYS HA H 1 3.982 0.020 . 1 . . . . 148 LYS HA . 16689 1 1910 . 1 1 148 148 LYS HB2 H 1 1.850 0.020 . 1 . . . . 148 LYS HB2 . 16689 1 1911 . 1 1 148 148 LYS HB3 H 1 1.850 0.020 . 1 . . . . 148 LYS HB3 . 16689 1 1912 . 1 1 148 148 LYS HD2 H 1 1.637 0.020 . 2 . . . . 148 LYS HD2 . 16689 1 1913 . 1 1 148 148 LYS HD3 H 1 1.568 0.020 . 2 . . . . 148 LYS HD3 . 16689 1 1914 . 1 1 148 148 LYS HE2 H 1 2.851 0.020 . 2 . . . . 148 LYS HE2 . 16689 1 1915 . 1 1 148 148 LYS HE3 H 1 2.782 0.020 . 2 . . . . 148 LYS HE3 . 16689 1 1916 . 1 1 148 148 LYS HG2 H 1 1.487 0.020 . 2 . . . . 148 LYS HG2 . 16689 1 1917 . 1 1 148 148 LYS HG3 H 1 1.386 0.020 . 2 . . . . 148 LYS HG3 . 16689 1 1918 . 1 1 148 148 LYS C C 13 178.587 0.3 . 1 . . . . 148 LYS C . 16689 1 1919 . 1 1 148 148 LYS CA C 13 59.090 0.3 . 1 . . . . 148 LYS CA . 16689 1 1920 . 1 1 148 148 LYS CB C 13 31.682 0.3 . 1 . . . . 148 LYS CB . 16689 1 1921 . 1 1 148 148 LYS CD C 13 28.845 0.3 . 1 . . . . 148 LYS CD . 16689 1 1922 . 1 1 148 148 LYS CE C 13 41.991 0.3 . 1 . . . . 148 LYS CE . 16689 1 1923 . 1 1 148 148 LYS CG C 13 25.038 0.3 . 1 . . . . 148 LYS CG . 16689 1 1924 . 1 1 148 148 LYS N N 15 124.005 0.3 . 1 . . . . 148 LYS N . 16689 1 1925 . 1 1 149 149 LEU H H 1 7.231 0.020 . 1 . . . . 149 LEU H . 16689 1 1926 . 1 1 149 149 LEU HA H 1 4.179 0.020 . 1 . . . . 149 LEU HA . 16689 1 1927 . 1 1 149 149 LEU HB2 H 1 1.578 0.020 . 2 . . . . 149 LEU HB2 . 16689 1 1928 . 1 1 149 149 LEU HB3 H 1 1.535 0.020 . 2 . . . . 149 LEU HB3 . 16689 1 1929 . 1 1 149 149 LEU HD11 H 1 0.417 0.020 . 2 . . . . 149 LEU HD1 . 16689 1 1930 . 1 1 149 149 LEU HD12 H 1 0.417 0.020 . 2 . . . . 149 LEU HD1 . 16689 1 1931 . 1 1 149 149 LEU HD13 H 1 0.417 0.020 . 2 . . . . 149 LEU HD1 . 16689 1 1932 . 1 1 149 149 LEU HD21 H 1 0.778 0.020 . 2 . . . . 149 LEU HD2 . 16689 1 1933 . 1 1 149 149 LEU HD22 H 1 0.778 0.020 . 2 . . . . 149 LEU HD2 . 16689 1 1934 . 1 1 149 149 LEU HD23 H 1 0.778 0.020 . 2 . . . . 149 LEU HD2 . 16689 1 1935 . 1 1 149 149 LEU HG H 1 1.637 0.020 . 1 . . . . 149 LEU HG . 16689 1 1936 . 1 1 149 149 LEU C C 13 177.419 0.3 . 1 . . . . 149 LEU C . 16689 1 1937 . 1 1 149 149 LEU CA C 13 55.416 0.3 . 1 . . . . 149 LEU CA . 16689 1 1938 . 1 1 149 149 LEU CB C 13 43.164 0.3 . 1 . . . . 149 LEU CB . 16689 1 1939 . 1 1 149 149 LEU CD1 C 13 25.482 0.3 . 2 . . . . 149 LEU CD1 . 16689 1 1940 . 1 1 149 149 LEU CD2 C 13 22.374 0.3 . 2 . . . . 149 LEU CD2 . 16689 1 1941 . 1 1 149 149 LEU CG C 13 26.608 0.3 . 1 . . . . 149 LEU CG . 16689 1 1942 . 1 1 149 149 LEU N N 15 115.842 0.3 . 1 . . . . 149 LEU N . 16689 1 1943 . 1 1 150 150 GLY H H 1 7.649 0.020 . 1 . . . . 150 GLY H . 16689 1 1944 . 1 1 150 150 GLY HA2 H 1 3.645 0.020 . 2 . . . . 150 GLY HA2 . 16689 1 1945 . 1 1 150 150 GLY HA3 H 1 4.080 0.020 . 2 . . . . 150 GLY HA3 . 16689 1 1946 . 1 1 150 150 GLY C C 13 173.350 0.3 . 1 . . . . 150 GLY C . 16689 1 1947 . 1 1 150 150 GLY CA C 13 44.890 0.3 . 1 . . . . 150 GLY CA . 16689 1 1948 . 1 1 150 150 GLY N N 15 106.985 0.3 . 1 . . . . 150 GLY N . 16689 1 1949 . 1 1 151 151 ALA H H 1 7.433 0.020 . 1 . . . . 151 ALA H . 16689 1 1950 . 1 1 151 151 ALA HA H 1 4.317 0.020 . 1 . . . . 151 ALA HA . 16689 1 1951 . 1 1 151 151 ALA HB1 H 1 1.345 0.020 . 1 . . . . 151 ALA HB . 16689 1 1952 . 1 1 151 151 ALA HB2 H 1 1.345 0.020 . 1 . . . . 151 ALA HB . 16689 1 1953 . 1 1 151 151 ALA HB3 H 1 1.345 0.020 . 1 . . . . 151 ALA HB . 16689 1 1954 . 1 1 151 151 ALA C C 13 175.348 0.3 . 1 . . . . 151 ALA C . 16689 1 1955 . 1 1 151 151 ALA CA C 13 52.168 0.3 . 1 . . . . 151 ALA CA . 16689 1 1956 . 1 1 151 151 ALA CB C 13 20.787 0.3 . 1 . . . . 151 ALA CB . 16689 1 1957 . 1 1 151 151 ALA N N 15 119.237 0.3 . 1 . . . . 151 ALA N . 16689 1 1958 . 1 1 152 152 LEU H H 1 6.994 0.020 . 1 . . . . 152 LEU H . 16689 1 1959 . 1 1 152 152 LEU HA H 1 4.663 0.020 . 1 . . . . 152 LEU HA . 16689 1 1960 . 1 1 152 152 LEU HB2 H 1 1.469 0.020 . 2 . . . . 152 LEU HB2 . 16689 1 1961 . 1 1 152 152 LEU HB3 H 1 0.524 0.020 . 2 . . . . 152 LEU HB3 . 16689 1 1962 . 1 1 152 152 LEU HD11 H 1 0.645 0.020 . 2 . . . . 152 LEU HD1 . 16689 1 1963 . 1 1 152 152 LEU HD12 H 1 0.645 0.020 . 2 . . . . 152 LEU HD1 . 16689 1 1964 . 1 1 152 152 LEU HD13 H 1 0.645 0.020 . 2 . . . . 152 LEU HD1 . 16689 1 1965 . 1 1 152 152 LEU HD21 H 1 0.519 0.020 . 2 . . . . 152 LEU HD2 . 16689 1 1966 . 1 1 152 152 LEU HD22 H 1 0.519 0.020 . 2 . . . . 152 LEU HD2 . 16689 1 1967 . 1 1 152 152 LEU HD23 H 1 0.519 0.020 . 2 . . . . 152 LEU HD2 . 16689 1 1968 . 1 1 152 152 LEU HG H 1 1.307 0.020 . 1 . . . . 152 LEU HG . 16689 1 1969 . 1 1 152 152 LEU C C 13 174.098 0.3 . 1 . . . . 152 LEU C . 16689 1 1970 . 1 1 152 152 LEU CA C 13 52.300 0.3 . 1 . . . . 152 LEU CA . 16689 1 1971 . 1 1 152 152 LEU CB C 13 43.506 0.3 . 1 . . . . 152 LEU CB . 16689 1 1972 . 1 1 152 152 LEU CD1 C 13 23.820 0.3 . 2 . . . . 152 LEU CD1 . 16689 1 1973 . 1 1 152 152 LEU CD2 C 13 26.642 0.3 . 2 . . . . 152 LEU CD2 . 16689 1 1974 . 1 1 152 152 LEU CG C 13 26.833 0.3 . 1 . . . . 152 LEU CG . 16689 1 1975 . 1 1 152 152 LEU N N 15 119.197 0.3 . 1 . . . . 152 LEU N . 16689 1 1976 . 1 1 153 153 THR HA H 1 4.125 0.020 . 1 . . . . 153 THR HA . 16689 1 1977 . 1 1 153 153 THR HB H 1 4.245 0.020 . 1 . . . . 153 THR HB . 16689 1 1978 . 1 1 153 153 THR HG21 H 1 0.901 0.020 . 1 . . . . 153 THR HG2 . 16689 1 1979 . 1 1 153 153 THR HG22 H 1 0.901 0.020 . 1 . . . . 153 THR HG2 . 16689 1 1980 . 1 1 153 153 THR HG23 H 1 0.901 0.020 . 1 . . . . 153 THR HG2 . 16689 1 1981 . 1 1 153 153 THR CA C 13 60.817 0.3 . 1 . . . . 153 THR CA . 16689 1 1982 . 1 1 153 153 THR CB C 13 68.835 0.3 . 1 . . . . 153 THR CB . 16689 1 1983 . 1 1 153 153 THR CG2 C 13 21.223 0.3 . 1 . . . . 153 THR CG2 . 16689 1 1984 . 1 1 154 154 GLY H H 1 7.557 0.020 . 1 . . . . 154 GLY H . 16689 1 1985 . 1 1 154 154 GLY HA2 H 1 4.041 0.020 . 2 . . . . 154 GLY HA2 . 16689 1 1986 . 1 1 154 154 GLY HA3 H 1 3.936 0.020 . 2 . . . . 154 GLY HA3 . 16689 1 1987 . 1 1 154 154 GLY C C 13 170.927 0.3 . 1 . . . . 154 GLY C . 16689 1 1988 . 1 1 154 154 GLY CA C 13 44.118 0.3 . 1 . . . . 154 GLY CA . 16689 1 1989 . 1 1 154 154 GLY N N 15 109.006 0.3 . 1 . . . . 154 GLY N . 16689 1 1990 . 1 1 155 155 VAL H H 1 8.446 0.020 . 1 . . . . 155 VAL H . 16689 1 1991 . 1 1 155 155 VAL HA H 1 4.474 0.020 . 1 . . . . 155 VAL HA . 16689 1 1992 . 1 1 155 155 VAL HB H 1 2.015 0.020 . 1 . . . . 155 VAL HB . 16689 1 1993 . 1 1 155 155 VAL HG11 H 1 0.608 0.020 . 2 . . . . 155 VAL HG1 . 16689 1 1994 . 1 1 155 155 VAL HG12 H 1 0.608 0.020 . 2 . . . . 155 VAL HG1 . 16689 1 1995 . 1 1 155 155 VAL HG13 H 1 0.608 0.020 . 2 . . . . 155 VAL HG1 . 16689 1 1996 . 1 1 155 155 VAL HG21 H 1 0.963 0.020 . 2 . . . . 155 VAL HG2 . 16689 1 1997 . 1 1 155 155 VAL HG22 H 1 0.963 0.020 . 2 . . . . 155 VAL HG2 . 16689 1 1998 . 1 1 155 155 VAL HG23 H 1 0.963 0.020 . 2 . . . . 155 VAL HG2 . 16689 1 1999 . 1 1 155 155 VAL C C 13 171.382 0.3 . 1 . . . . 155 VAL C . 16689 1 2000 . 1 1 155 155 VAL CA C 13 57.461 0.3 . 1 . . . . 155 VAL CA . 16689 1 2001 . 1 1 155 155 VAL CB C 13 34.706 0.3 . 1 . . . . 155 VAL CB . 16689 1 2002 . 1 1 155 155 VAL CG1 C 13 23.595 0.3 . 2 . . . . 155 VAL CG1 . 16689 1 2003 . 1 1 155 155 VAL CG2 C 13 17.727 0.3 . 2 . . . . 155 VAL CG2 . 16689 1 2004 . 1 1 155 155 VAL N N 15 110.966 0.3 . 1 . . . . 155 VAL N . 16689 1 2005 . 1 1 156 156 PRO HA H 1 4.999 0.020 . 1 . . . . 156 PRO HA . 16689 1 2006 . 1 1 156 156 PRO HB2 H 1 2.549 0.020 . 2 . . . . 156 PRO HB2 . 16689 1 2007 . 1 1 156 156 PRO HB3 H 1 1.509 0.020 . 2 . . . . 156 PRO HB3 . 16689 1 2008 . 1 1 156 156 PRO HD2 H 1 3.540 0.020 . 2 . . . . 156 PRO HD2 . 16689 1 2009 . 1 1 156 156 PRO HD3 H 1 3.286 0.020 . 2 . . . . 156 PRO HD3 . 16689 1 2010 . 1 1 156 156 PRO HG2 H 1 1.425 0.020 . 2 . . . . 156 PRO HG2 . 16689 1 2011 . 1 1 156 156 PRO HG3 H 1 1.377 0.020 . 2 . . . . 156 PRO HG3 . 16689 1 2012 . 1 1 156 156 PRO C C 13 176.725 0.3 . 1 . . . . 156 PRO C . 16689 1 2013 . 1 1 156 156 PRO CA C 13 61.967 0.3 . 1 . . . . 156 PRO CA . 16689 1 2014 . 1 1 156 156 PRO CB C 13 34.374 0.3 . 1 . . . . 156 PRO CB . 16689 1 2015 . 1 1 156 156 PRO CD C 13 49.705 0.3 . 1 . . . . 156 PRO CD . 16689 1 2016 . 1 1 156 156 PRO CG C 13 24.109 0.3 . 1 . . . . 156 PRO CG . 16689 1 2017 . 1 1 157 157 THR H H 1 8.349 0.020 . 1 . . . . 157 THR H . 16689 1 2018 . 1 1 157 157 THR HA H 1 4.715 0.020 . 1 . . . . 157 THR HA . 16689 1 2019 . 1 1 157 157 THR HB H 1 3.799 0.020 . 1 . . . . 157 THR HB . 16689 1 2020 . 1 1 157 157 THR HG21 H 1 1.161 0.020 . 1 . . . . 157 THR HG2 . 16689 1 2021 . 1 1 157 157 THR HG22 H 1 1.161 0.020 . 1 . . . . 157 THR HG2 . 16689 1 2022 . 1 1 157 157 THR HG23 H 1 1.161 0.020 . 1 . . . . 157 THR HG2 . 16689 1 2023 . 1 1 157 157 THR C C 13 172.113 0.3 . 1 . . . . 157 THR C . 16689 1 2024 . 1 1 157 157 THR CA C 13 62.159 0.3 . 1 . . . . 157 THR CA . 16689 1 2025 . 1 1 157 157 THR CB C 13 72.949 0.3 . 1 . . . . 157 THR CB . 16689 1 2026 . 1 1 157 157 THR CG2 C 13 20.976 0.3 . 1 . . . . 157 THR CG2 . 16689 1 2027 . 1 1 157 157 THR N N 15 117.072 0.3 . 1 . . . . 157 THR N . 16689 1 2028 . 1 1 158 158 PHE H H 1 10.344 0.020 . 1 . . . . 158 PHE H . 16689 1 2029 . 1 1 158 158 PHE HA H 1 5.396 0.020 . 1 . . . . 158 PHE HA . 16689 1 2030 . 1 1 158 158 PHE HB2 H 1 2.853 0.020 . 2 . . . . 158 PHE HB2 . 16689 1 2031 . 1 1 158 158 PHE HB3 H 1 2.432 0.020 . 2 . . . . 158 PHE HB3 . 16689 1 2032 . 1 1 158 158 PHE HD1 H 1 7.008 0.020 . 1 . . . . 158 PHE HD1 . 16689 1 2033 . 1 1 158 158 PHE HD2 H 1 7.008 0.020 . 1 . . . . 158 PHE HD2 . 16689 1 2034 . 1 1 158 158 PHE HE1 H 1 7.021 0.020 . 1 . . . . 158 PHE HE1 . 16689 1 2035 . 1 1 158 158 PHE HE2 H 1 7.021 0.020 . 1 . . . . 158 PHE HE2 . 16689 1 2036 . 1 1 158 158 PHE C C 13 173.923 0.3 . 1 . . . . 158 PHE C . 16689 1 2037 . 1 1 158 158 PHE CA C 13 56.591 0.3 . 1 . . . . 158 PHE CA . 16689 1 2038 . 1 1 158 158 PHE CB C 13 42.073 0.3 . 1 . . . . 158 PHE CB . 16689 1 2039 . 1 1 158 158 PHE CD1 C 13 131.187 0.3 . 1 . . . . 158 PHE CD1 . 16689 1 2040 . 1 1 158 158 PHE CD2 C 13 131.187 0.3 . 1 . . . . 158 PHE CD2 . 16689 1 2041 . 1 1 158 158 PHE CE1 C 13 128.375 0.3 . 1 . . . . 158 PHE CE1 . 16689 1 2042 . 1 1 158 158 PHE CE2 C 13 128.375 0.3 . 1 . . . . 158 PHE CE2 . 16689 1 2043 . 1 1 158 158 PHE N N 15 128.146 0.3 . 1 . . . . 158 PHE N . 16689 1 2044 . 1 1 159 159 ILE H H 1 8.884 0.020 . 1 . . . . 159 ILE H . 16689 1 2045 . 1 1 159 159 ILE HA H 1 4.957 0.020 . 1 . . . . 159 ILE HA . 16689 1 2046 . 1 1 159 159 ILE HB H 1 1.516 0.020 . 1 . . . . 159 ILE HB . 16689 1 2047 . 1 1 159 159 ILE HD11 H 1 0.025 0.020 . 1 . . . . 159 ILE HD1 . 16689 1 2048 . 1 1 159 159 ILE HD12 H 1 0.025 0.020 . 1 . . . . 159 ILE HD1 . 16689 1 2049 . 1 1 159 159 ILE HD13 H 1 0.025 0.020 . 1 . . . . 159 ILE HD1 . 16689 1 2050 . 1 1 159 159 ILE HG12 H 1 0.565 0.020 . 1 . . . . 159 ILE HG12 . 16689 1 2051 . 1 1 159 159 ILE HG13 H 1 0.565 0.020 . 1 . . . . 159 ILE HG13 . 16689 1 2052 . 1 1 159 159 ILE HG21 H 1 0.436 0.020 . 1 . . . . 159 ILE HG2 . 16689 1 2053 . 1 1 159 159 ILE HG22 H 1 0.436 0.020 . 1 . . . . 159 ILE HG2 . 16689 1 2054 . 1 1 159 159 ILE HG23 H 1 0.436 0.020 . 1 . . . . 159 ILE HG2 . 16689 1 2055 . 1 1 159 159 ILE C C 13 176.013 0.3 . 1 . . . . 159 ILE C . 16689 1 2056 . 1 1 159 159 ILE CA C 13 59.452 0.3 . 1 . . . . 159 ILE CA . 16689 1 2057 . 1 1 159 159 ILE CB C 13 40.764 0.3 . 1 . . . . 159 ILE CB . 16689 1 2058 . 1 1 159 159 ILE CD1 C 13 11.626 0.3 . 1 . . . . 159 ILE CD1 . 16689 1 2059 . 1 1 159 159 ILE CG1 C 13 28.062 0.3 . 1 . . . . 159 ILE CG1 . 16689 1 2060 . 1 1 159 159 ILE CG2 C 13 17.528 0.3 . 1 . . . . 159 ILE CG2 . 16689 1 2061 . 1 1 159 159 ILE N N 15 121.508 0.3 . 1 . . . . 159 ILE N . 16689 1 2062 . 1 1 160 160 VAL H H 1 10.164 0.020 . 1 . . . . 160 VAL H . 16689 1 2063 . 1 1 160 160 VAL HA H 1 4.466 0.020 . 1 . . . . 160 VAL HA . 16689 1 2064 . 1 1 160 160 VAL HB H 1 2.132 0.020 . 1 . . . . 160 VAL HB . 16689 1 2065 . 1 1 160 160 VAL HG11 H 1 0.959 0.020 . 2 . . . . 160 VAL HG1 . 16689 1 2066 . 1 1 160 160 VAL HG12 H 1 0.959 0.020 . 2 . . . . 160 VAL HG1 . 16689 1 2067 . 1 1 160 160 VAL HG13 H 1 0.959 0.020 . 2 . . . . 160 VAL HG1 . 16689 1 2068 . 1 1 160 160 VAL HG21 H 1 0.867 0.020 . 2 . . . . 160 VAL HG2 . 16689 1 2069 . 1 1 160 160 VAL HG22 H 1 0.867 0.020 . 2 . . . . 160 VAL HG2 . 16689 1 2070 . 1 1 160 160 VAL HG23 H 1 0.867 0.020 . 2 . . . . 160 VAL HG2 . 16689 1 2071 . 1 1 160 160 VAL C C 13 174.467 0.3 . 1 . . . . 160 VAL C . 16689 1 2072 . 1 1 160 160 VAL CA C 13 62.107 0.3 . 1 . . . . 160 VAL CA . 16689 1 2073 . 1 1 160 160 VAL CB C 13 33.095 0.3 . 1 . . . . 160 VAL CB . 16689 1 2074 . 1 1 160 160 VAL CG1 C 13 22.094 0.3 . 2 . . . . 160 VAL CG1 . 16689 1 2075 . 1 1 160 160 VAL CG2 C 13 20.810 0.3 . 2 . . . . 160 VAL CG2 . 16689 1 2076 . 1 1 160 160 VAL N N 15 132.659 0.3 . 1 . . . . 160 VAL N . 16689 1 2077 . 1 1 161 161 ASN H H 1 9.845 0.020 . 1 . . . . 161 ASN H . 16689 1 2078 . 1 1 161 161 ASN HA H 1 4.791 0.020 . 1 . . . . 161 ASN HA . 16689 1 2079 . 1 1 161 161 ASN HB2 H 1 3.330 0.020 . 2 . . . . 161 ASN HB2 . 16689 1 2080 . 1 1 161 161 ASN HB3 H 1 2.841 0.020 . 2 . . . . 161 ASN HB3 . 16689 1 2081 . 1 1 161 161 ASN HD21 H 1 6.265 0.020 . 2 . . . . 161 ASN HD21 . 16689 1 2082 . 1 1 161 161 ASN HD22 H 1 8.803 0.020 . 2 . . . . 161 ASN HD22 . 16689 1 2083 . 1 1 161 161 ASN C C 13 176.004 0.3 . 1 . . . . 161 ASN C . 16689 1 2084 . 1 1 161 161 ASN CA C 13 54.249 0.3 . 1 . . . . 161 ASN CA . 16689 1 2085 . 1 1 161 161 ASN CB C 13 36.026 0.3 . 1 . . . . 161 ASN CB . 16689 1 2086 . 1 1 161 161 ASN CG C 13 174.354 0.3 . 1 . . . . 161 ASN CG . 16689 1 2087 . 1 1 161 161 ASN N N 15 126.868 0.3 . 1 . . . . 161 ASN N . 16689 1 2088 . 1 1 161 161 ASN ND2 N 15 109.817 0.3 . 1 . . . . 161 ASN ND2 . 16689 1 2089 . 1 1 162 162 ASP H H 1 9.076 0.020 . 1 . . . . 162 ASP H . 16689 1 2090 . 1 1 162 162 ASP HA H 1 4.220 0.020 . 1 . . . . 162 ASP HA . 16689 1 2091 . 1 1 162 162 ASP HB2 H 1 3.361 0.020 . 2 . . . . 162 ASP HB2 . 16689 1 2092 . 1 1 162 162 ASP HB3 H 1 2.590 0.020 . 2 . . . . 162 ASP HB3 . 16689 1 2093 . 1 1 162 162 ASP C C 13 176.261 0.3 . 1 . . . . 162 ASP C . 16689 1 2094 . 1 1 162 162 ASP CA C 13 57.305 0.3 . 1 . . . . 162 ASP CA . 16689 1 2095 . 1 1 162 162 ASP CB C 13 40.074 0.3 . 1 . . . . 162 ASP CB . 16689 1 2096 . 1 1 162 162 ASP N N 15 112.133 0.3 . 1 . . . . 162 ASP N . 16689 1 2097 . 1 1 163 163 LYS H H 1 7.312 0.020 . 1 . . . . 163 LYS H . 16689 1 2098 . 1 1 163 163 LYS HA H 1 4.433 0.020 . 1 . . . . 163 LYS HA . 16689 1 2099 . 1 1 163 163 LYS HB2 H 1 1.438 0.020 . 2 . . . . 163 LYS HB2 . 16689 1 2100 . 1 1 163 163 LYS HB3 H 1 0.959 0.020 . 2 . . . . 163 LYS HB3 . 16689 1 2101 . 1 1 163 163 LYS HD2 H 1 1.537 0.020 . 2 . . . . 163 LYS HD2 . 16689 1 2102 . 1 1 163 163 LYS HD3 H 1 1.443 0.020 . 2 . . . . 163 LYS HD3 . 16689 1 2103 . 1 1 163 163 LYS HE2 H 1 2.985 0.020 . 2 . . . . 163 LYS HE2 . 16689 1 2104 . 1 1 163 163 LYS HE3 H 1 2.845 0.020 . 2 . . . . 163 LYS HE3 . 16689 1 2105 . 1 1 163 163 LYS HG2 H 1 1.061 0.020 . 2 . . . . 163 LYS HG2 . 16689 1 2106 . 1 1 163 163 LYS HG3 H 1 0.678 0.020 . 2 . . . . 163 LYS HG3 . 16689 1 2107 . 1 1 163 163 LYS C C 13 172.707 0.3 . 1 . . . . 163 LYS C . 16689 1 2108 . 1 1 163 163 LYS CA C 13 56.717 0.3 . 1 . . . . 163 LYS CA . 16689 1 2109 . 1 1 163 163 LYS CB C 13 36.421 0.3 . 1 . . . . 163 LYS CB . 16689 1 2110 . 1 1 163 163 LYS CD C 13 29.230 0.3 . 1 . . . . 163 LYS CD . 16689 1 2111 . 1 1 163 163 LYS CE C 13 42.156 0.3 . 1 . . . . 163 LYS CE . 16689 1 2112 . 1 1 163 163 LYS CG C 13 24.532 0.3 . 1 . . . . 163 LYS CG . 16689 1 2113 . 1 1 163 163 LYS N N 15 120.498 0.3 . 1 . . . . 163 LYS N . 16689 1 2114 . 1 1 164 164 TYR H H 1 7.850 0.020 . 1 . . . . 164 TYR H . 16689 1 2115 . 1 1 164 164 TYR HA H 1 5.568 0.020 . 1 . . . . 164 TYR HA . 16689 1 2116 . 1 1 164 164 TYR HB2 H 1 2.849 0.020 . 2 . . . . 164 TYR HB2 . 16689 1 2117 . 1 1 164 164 TYR HB3 H 1 2.757 0.020 . 2 . . . . 164 TYR HB3 . 16689 1 2118 . 1 1 164 164 TYR HD1 H 1 6.976 0.020 . 1 . . . . 164 TYR HD1 . 16689 1 2119 . 1 1 164 164 TYR HD2 H 1 6.976 0.020 . 1 . . . . 164 TYR HD2 . 16689 1 2120 . 1 1 164 164 TYR HE1 H 1 6.961 0.020 . 1 . . . . 164 TYR HE1 . 16689 1 2121 . 1 1 164 164 TYR HE2 H 1 6.961 0.020 . 1 . . . . 164 TYR HE2 . 16689 1 2122 . 1 1 164 164 TYR C C 13 174.576 0.3 . 1 . . . . 164 TYR C . 16689 1 2123 . 1 1 164 164 TYR CA C 13 55.867 0.3 . 1 . . . . 164 TYR CA . 16689 1 2124 . 1 1 164 164 TYR CB C 13 41.121 0.3 . 1 . . . . 164 TYR CB . 16689 1 2125 . 1 1 164 164 TYR CD1 C 13 133.064 0.3 . 1 . . . . 164 TYR CD1 . 16689 1 2126 . 1 1 164 164 TYR CD2 C 13 133.064 0.3 . 1 . . . . 164 TYR CD2 . 16689 1 2127 . 1 1 164 164 TYR CE1 C 13 118.432 0.3 . 1 . . . . 164 TYR CE1 . 16689 1 2128 . 1 1 164 164 TYR CE2 C 13 118.432 0.3 . 1 . . . . 164 TYR CE2 . 16689 1 2129 . 1 1 164 164 TYR N N 15 117.085 0.3 . 1 . . . . 164 TYR N . 16689 1 2130 . 1 1 165 165 LYS H H 1 9.084 0.020 . 1 . . . . 165 LYS H . 16689 1 2131 . 1 1 165 165 LYS HA H 1 4.729 0.020 . 1 . . . . 165 LYS HA . 16689 1 2132 . 1 1 165 165 LYS HB2 H 1 1.904 0.020 . 2 . . . . 165 LYS HB2 . 16689 1 2133 . 1 1 165 165 LYS HB3 H 1 1.386 0.020 . 2 . . . . 165 LYS HB3 . 16689 1 2134 . 1 1 165 165 LYS HD2 H 1 1.670 0.020 . 2 . . . . 165 LYS HD2 . 16689 1 2135 . 1 1 165 165 LYS HD3 H 1 1.482 0.020 . 2 . . . . 165 LYS HD3 . 16689 1 2136 . 1 1 165 165 LYS HE2 H 1 2.989 0.020 . 2 . . . . 165 LYS HE2 . 16689 1 2137 . 1 1 165 165 LYS HE3 H 1 2.936 0.020 . 2 . . . . 165 LYS HE3 . 16689 1 2138 . 1 1 165 165 LYS HG2 H 1 1.315 0.020 . 2 . . . . 165 LYS HG2 . 16689 1 2139 . 1 1 165 165 LYS HG3 H 1 1.192 0.020 . 2 . . . . 165 LYS HG3 . 16689 1 2140 . 1 1 165 165 LYS C C 13 175.622 0.3 . 1 . . . . 165 LYS C . 16689 1 2141 . 1 1 165 165 LYS CA C 13 55.183 0.3 . 1 . . . . 165 LYS CA . 16689 1 2142 . 1 1 165 165 LYS CB C 13 34.479 0.3 . 1 . . . . 165 LYS CB . 16689 1 2143 . 1 1 165 165 LYS CD C 13 29.996 0.3 . 1 . . . . 165 LYS CD . 16689 1 2144 . 1 1 165 165 LYS CE C 13 42.039 0.3 . 1 . . . . 165 LYS CE . 16689 1 2145 . 1 1 165 165 LYS CG C 13 24.628 0.3 . 1 . . . . 165 LYS CG . 16689 1 2146 . 1 1 165 165 LYS N N 15 127.542 0.3 . 1 . . . . 165 LYS N . 16689 1 2147 . 1 1 166 166 ILE H H 1 8.142 0.020 . 1 . . . . 166 ILE H . 16689 1 2148 . 1 1 166 166 ILE HA H 1 3.951 0.020 . 1 . . . . 166 ILE HA . 16689 1 2149 . 1 1 166 166 ILE HB H 1 1.695 0.020 . 1 . . . . 166 ILE HB . 16689 1 2150 . 1 1 166 166 ILE HD11 H 1 0.531 0.020 . 1 . . . . 166 ILE HD1 . 16689 1 2151 . 1 1 166 166 ILE HD12 H 1 0.531 0.020 . 1 . . . . 166 ILE HD1 . 16689 1 2152 . 1 1 166 166 ILE HD13 H 1 0.531 0.020 . 1 . . . . 166 ILE HD1 . 16689 1 2153 . 1 1 166 166 ILE HG12 H 1 1.561 0.020 . 2 . . . . 166 ILE HG12 . 16689 1 2154 . 1 1 166 166 ILE HG13 H 1 0.731 0.020 . 2 . . . . 166 ILE HG13 . 16689 1 2155 . 1 1 166 166 ILE HG21 H 1 0.615 0.020 . 1 . . . . 166 ILE HG2 . 16689 1 2156 . 1 1 166 166 ILE HG22 H 1 0.615 0.020 . 1 . . . . 166 ILE HG2 . 16689 1 2157 . 1 1 166 166 ILE HG23 H 1 0.615 0.020 . 1 . . . . 166 ILE HG2 . 16689 1 2158 . 1 1 166 166 ILE C C 13 174.727 0.3 . 1 . . . . 166 ILE C . 16689 1 2159 . 1 1 166 166 ILE CA C 13 62.454 0.3 . 1 . . . . 166 ILE CA . 16689 1 2160 . 1 1 166 166 ILE CB C 13 39.416 0.3 . 1 . . . . 166 ILE CB . 16689 1 2161 . 1 1 166 166 ILE CD1 C 13 13.210 0.3 . 1 . . . . 166 ILE CD1 . 16689 1 2162 . 1 1 166 166 ILE CG1 C 13 27.811 0.3 . 1 . . . . 166 ILE CG1 . 16689 1 2163 . 1 1 166 166 ILE CG2 C 13 15.969 0.3 . 1 . . . . 166 ILE CG2 . 16689 1 2164 . 1 1 166 166 ILE N N 15 126.494 0.3 . 1 . . . . 166 ILE N . 16689 1 2165 . 1 1 167 167 ASN H H 1 8.528 0.020 . 1 . . . . 167 ASN H . 16689 1 2166 . 1 1 167 167 ASN HA H 1 5.091 0.020 . 1 . . . . 167 ASN HA . 16689 1 2167 . 1 1 167 167 ASN HB2 H 1 2.814 0.020 . 2 . . . . 167 ASN HB2 . 16689 1 2168 . 1 1 167 167 ASN HB3 H 1 2.738 0.020 . 2 . . . . 167 ASN HB3 . 16689 1 2169 . 1 1 167 167 ASN HD21 H 1 6.616 0.020 . 2 . . . . 167 ASN HD21 . 16689 1 2170 . 1 1 167 167 ASN HD22 H 1 7.002 0.020 . 2 . . . . 167 ASN HD22 . 16689 1 2171 . 1 1 167 167 ASN C C 13 175.085 0.3 . 1 . . . . 167 ASN C . 16689 1 2172 . 1 1 167 167 ASN CA C 13 51.459 0.3 . 1 . . . . 167 ASN CA . 16689 1 2173 . 1 1 167 167 ASN CB C 13 36.859 0.3 . 1 . . . . 167 ASN CB . 16689 1 2174 . 1 1 167 167 ASN CG C 13 176.451 0.3 . 1 . . . . 167 ASN CG . 16689 1 2175 . 1 1 167 167 ASN N N 15 126.784 0.3 . 1 . . . . 167 ASN N . 16689 1 2176 . 1 1 167 167 ASN ND2 N 15 111.342 0.3 . 1 . . . . 167 ASN ND2 . 16689 1 2177 . 1 1 168 168 LEU H H 1 8.366 0.020 . 1 . . . . 168 LEU H . 16689 1 2178 . 1 1 168 168 LEU HA H 1 3.711 0.020 . 1 . . . . 168 LEU HA . 16689 1 2179 . 1 1 168 168 LEU HB2 H 1 1.659 0.020 . 2 . . . . 168 LEU HB2 . 16689 1 2180 . 1 1 168 168 LEU HB3 H 1 1.523 0.020 . 2 . . . . 168 LEU HB3 . 16689 1 2181 . 1 1 168 168 LEU HD11 H 1 0.608 0.020 . 2 . . . . 168 LEU HD1 . 16689 1 2182 . 1 1 168 168 LEU HD12 H 1 0.608 0.020 . 2 . . . . 168 LEU HD1 . 16689 1 2183 . 1 1 168 168 LEU HD13 H 1 0.608 0.020 . 2 . . . . 168 LEU HD1 . 16689 1 2184 . 1 1 168 168 LEU HD21 H 1 0.583 0.020 . 2 . . . . 168 LEU HD2 . 16689 1 2185 . 1 1 168 168 LEU HD22 H 1 0.583 0.020 . 2 . . . . 168 LEU HD2 . 16689 1 2186 . 1 1 168 168 LEU HD23 H 1 0.583 0.020 . 2 . . . . 168 LEU HD2 . 16689 1 2187 . 1 1 168 168 LEU HG H 1 1.699 0.020 . 1 . . . . 168 LEU HG . 16689 1 2188 . 1 1 168 168 LEU C C 13 177.602 0.3 . 1 . . . . 168 LEU C . 16689 1 2189 . 1 1 168 168 LEU CA C 13 57.783 0.3 . 1 . . . . 168 LEU CA . 16689 1 2190 . 1 1 168 168 LEU CB C 13 42.115 0.3 . 1 . . . . 168 LEU CB . 16689 1 2191 . 1 1 168 168 LEU CD1 C 13 24.342 0.3 . 2 . . . . 168 LEU CD1 . 16689 1 2192 . 1 1 168 168 LEU CD2 C 13 22.278 0.3 . 2 . . . . 168 LEU CD2 . 16689 1 2193 . 1 1 168 168 LEU CG C 13 26.428 0.3 . 1 . . . . 168 LEU CG . 16689 1 2194 . 1 1 168 168 LEU N N 15 126.135 0.3 . 1 . . . . 168 LEU N . 16689 1 2195 . 1 1 169 169 ASN H H 1 8.605 0.020 . 1 . . . . 169 ASN H . 16689 1 2196 . 1 1 169 169 ASN HA H 1 4.484 0.020 . 1 . . . . 169 ASN HA . 16689 1 2197 . 1 1 169 169 ASN HB2 H 1 2.806 0.020 . 2 . . . . 169 ASN HB2 . 16689 1 2198 . 1 1 169 169 ASN HB3 H 1 2.733 0.020 . 2 . . . . 169 ASN HB3 . 16689 1 2199 . 1 1 169 169 ASN HD21 H 1 6.918 0.020 . 2 . . . . 169 ASN HD21 . 16689 1 2200 . 1 1 169 169 ASN HD22 H 1 7.572 0.020 . 2 . . . . 169 ASN HD22 . 16689 1 2201 . 1 1 169 169 ASN C C 13 175.745 0.3 . 1 . . . . 169 ASN C . 16689 1 2202 . 1 1 169 169 ASN CA C 13 55.026 0.3 . 1 . . . . 169 ASN CA . 16689 1 2203 . 1 1 169 169 ASN CB C 13 37.032 0.3 . 1 . . . . 169 ASN CB . 16689 1 2204 . 1 1 169 169 ASN CG C 13 176.897 0.3 . 1 . . . . 169 ASN CG . 16689 1 2205 . 1 1 169 169 ASN N N 15 113.846 0.3 . 1 . . . . 169 ASN N . 16689 1 2206 . 1 1 169 169 ASN ND2 N 15 113.935 0.3 . 1 . . . . 169 ASN ND2 . 16689 1 2207 . 1 1 170 170 THR H H 1 7.488 0.020 . 1 . . . . 170 THR H . 16689 1 2208 . 1 1 170 170 THR HA H 1 4.315 0.020 . 1 . . . . 170 THR HA . 16689 1 2209 . 1 1 170 170 THR HB H 1 4.320 0.020 . 1 . . . . 170 THR HB . 16689 1 2210 . 1 1 170 170 THR HG21 H 1 1.118 0.020 . 1 . . . . 170 THR HG2 . 16689 1 2211 . 1 1 170 170 THR HG22 H 1 1.118 0.020 . 1 . . . . 170 THR HG2 . 16689 1 2212 . 1 1 170 170 THR HG23 H 1 1.118 0.020 . 1 . . . . 170 THR HG2 . 16689 1 2213 . 1 1 170 170 THR C C 13 174.193 0.3 . 1 . . . . 170 THR C . 16689 1 2214 . 1 1 170 170 THR CA C 13 62.221 0.3 . 1 . . . . 170 THR CA . 16689 1 2215 . 1 1 170 170 THR CB C 13 70.055 0.3 . 1 . . . . 170 THR CB . 16689 1 2216 . 1 1 170 170 THR CG2 C 13 21.609 0.3 . 1 . . . . 170 THR CG2 . 16689 1 2217 . 1 1 170 170 THR N N 15 108.220 0.3 . 1 . . . . 170 THR N . 16689 1 2218 . 1 1 171 171 ILE H H 1 7.091 0.020 . 1 . . . . 171 ILE H . 16689 1 2219 . 1 1 171 171 ILE HA H 1 4.285 0.020 . 1 . . . . 171 ILE HA . 16689 1 2220 . 1 1 171 171 ILE HB H 1 2.027 0.020 . 1 . . . . 171 ILE HB . 16689 1 2221 . 1 1 171 171 ILE HD11 H 1 0.641 0.020 . 1 . . . . 171 ILE HD1 . 16689 1 2222 . 1 1 171 171 ILE HD12 H 1 0.641 0.020 . 1 . . . . 171 ILE HD1 . 16689 1 2223 . 1 1 171 171 ILE HD13 H 1 0.641 0.020 . 1 . . . . 171 ILE HD1 . 16689 1 2224 . 1 1 171 171 ILE HG12 H 1 1.583 0.020 . 2 . . . . 171 ILE HG12 . 16689 1 2225 . 1 1 171 171 ILE HG13 H 1 1.139 0.020 . 2 . . . . 171 ILE HG13 . 16689 1 2226 . 1 1 171 171 ILE HG21 H 1 0.893 0.020 . 1 . . . . 171 ILE HG2 . 16689 1 2227 . 1 1 171 171 ILE HG22 H 1 0.893 0.020 . 1 . . . . 171 ILE HG2 . 16689 1 2228 . 1 1 171 171 ILE HG23 H 1 0.893 0.020 . 1 . . . . 171 ILE HG2 . 16689 1 2229 . 1 1 171 171 ILE C C 13 177.124 0.3 . 1 . . . . 171 ILE C . 16689 1 2230 . 1 1 171 171 ILE CA C 13 58.399 0.3 . 1 . . . . 171 ILE CA . 16689 1 2231 . 1 1 171 171 ILE CB C 13 37.062 0.3 . 1 . . . . 171 ILE CB . 16689 1 2232 . 1 1 171 171 ILE CD1 C 13 10.567 0.3 . 1 . . . . 171 ILE CD1 . 16689 1 2233 . 1 1 171 171 ILE CG1 C 13 26.351 0.3 . 1 . . . . 171 ILE CG1 . 16689 1 2234 . 1 1 171 171 ILE CG2 C 13 19.322 0.3 . 1 . . . . 171 ILE CG2 . 16689 1 2235 . 1 1 171 171 ILE N N 15 122.168 0.3 . 1 . . . . 171 ILE N . 16689 1 2236 . 1 1 172 172 LYS H H 1 9.109 0.020 . 1 . . . . 172 LYS H . 16689 1 2237 . 1 1 172 172 LYS HA H 1 4.364 0.020 . 1 . . . . 172 LYS HA . 16689 1 2238 . 1 1 172 172 LYS HB2 H 1 1.871 0.020 . 2 . . . . 172 LYS HB2 . 16689 1 2239 . 1 1 172 172 LYS HB3 H 1 1.784 0.020 . 2 . . . . 172 LYS HB3 . 16689 1 2240 . 1 1 172 172 LYS HD2 H 1 1.605 0.020 . 1 . . . . 172 LYS HD2 . 16689 1 2241 . 1 1 172 172 LYS HD3 H 1 1.605 0.020 . 1 . . . . 172 LYS HD3 . 16689 1 2242 . 1 1 172 172 LYS HE2 H 1 2.941 0.020 . 2 . . . . 172 LYS HE2 . 16689 1 2243 . 1 1 172 172 LYS HE3 H 1 2.851 0.020 . 2 . . . . 172 LYS HE3 . 16689 1 2244 . 1 1 172 172 LYS HG2 H 1 1.473 0.020 . 2 . . . . 172 LYS HG2 . 16689 1 2245 . 1 1 172 172 LYS HG3 H 1 1.386 0.020 . 2 . . . . 172 LYS HG3 . 16689 1 2246 . 1 1 172 172 LYS C C 13 176.125 0.3 . 1 . . . . 172 LYS C . 16689 1 2247 . 1 1 172 172 LYS CA C 13 56.648 0.3 . 1 . . . . 172 LYS CA . 16689 1 2248 . 1 1 172 172 LYS CB C 13 33.322 0.3 . 1 . . . . 172 LYS CB . 16689 1 2249 . 1 1 172 172 LYS CD C 13 28.296 0.3 . 1 . . . . 172 LYS CD . 16689 1 2250 . 1 1 172 172 LYS CE C 13 41.807 0.3 . 1 . . . . 172 LYS CE . 16689 1 2251 . 1 1 172 172 LYS CG C 13 24.511 0.3 . 1 . . . . 172 LYS CG . 16689 1 2252 . 1 1 172 172 LYS N N 15 124.917 0.3 . 1 . . . . 172 LYS N . 16689 1 2253 . 1 1 173 173 SER H H 1 7.358 0.020 . 1 . . . . 173 SER H . 16689 1 2254 . 1 1 173 173 SER HA H 1 4.629 0.020 . 1 . . . . 173 SER HA . 16689 1 2255 . 1 1 173 173 SER HB2 H 1 4.139 0.020 . 2 . . . . 173 SER HB2 . 16689 1 2256 . 1 1 173 173 SER HB3 H 1 3.923 0.020 . 2 . . . . 173 SER HB3 . 16689 1 2257 . 1 1 173 173 SER C C 13 173.641 0.3 . 1 . . . . 173 SER C . 16689 1 2258 . 1 1 173 173 SER CA C 13 56.861 0.3 . 1 . . . . 173 SER CA . 16689 1 2259 . 1 1 173 173 SER CB C 13 66.036 0.3 . 1 . . . . 173 SER CB . 16689 1 2260 . 1 1 173 173 SER N N 15 111.333 0.3 . 1 . . . . 173 SER N . 16689 1 2261 . 1 1 174 174 GLN H H 1 8.794 0.020 . 1 . . . . 174 GLN H . 16689 1 2262 . 1 1 174 174 GLN HA H 1 3.643 0.020 . 1 . . . . 174 GLN HA . 16689 1 2263 . 1 1 174 174 GLN HB2 H 1 2.096 0.020 . 2 . . . . 174 GLN HB2 . 16689 1 2264 . 1 1 174 174 GLN HB3 H 1 1.740 0.020 . 2 . . . . 174 GLN HB3 . 16689 1 2265 . 1 1 174 174 GLN HE21 H 1 8.244 0.020 . 2 . . . . 174 GLN HE21 . 16689 1 2266 . 1 1 174 174 GLN HE22 H 1 5.147 0.020 . 2 . . . . 174 GLN HE22 . 16689 1 2267 . 1 1 174 174 GLN HG2 H 1 2.268 0.020 . 2 . . . . 174 GLN HG2 . 16689 1 2268 . 1 1 174 174 GLN HG3 H 1 2.103 0.020 . 2 . . . . 174 GLN HG3 . 16689 1 2269 . 1 1 174 174 GLN C C 13 176.696 0.3 . 1 . . . . 174 GLN C . 16689 1 2270 . 1 1 174 174 GLN CA C 13 57.753 0.3 . 1 . . . . 174 GLN CA . 16689 1 2271 . 1 1 174 174 GLN CB C 13 27.723 0.3 . 1 . . . . 174 GLN CB . 16689 1 2272 . 1 1 174 174 GLN CD C 13 179.329 0.3 . 1 . . . . 174 GLN CD . 16689 1 2273 . 1 1 174 174 GLN CG C 13 32.352 0.3 . 1 . . . . 174 GLN CG . 16689 1 2274 . 1 1 174 174 GLN N N 15 119.432 0.3 . 1 . . . . 174 GLN N . 16689 1 2275 . 1 1 174 174 GLN NE2 N 15 113.778 0.3 . 1 . . . . 174 GLN NE2 . 16689 1 2276 . 1 1 175 175 GLU H H 1 8.684 0.020 . 1 . . . . 175 GLU H . 16689 1 2277 . 1 1 175 175 GLU HA H 1 4.057 0.020 . 1 . . . . 175 GLU HA . 16689 1 2278 . 1 1 175 175 GLU HB2 H 1 1.970 0.020 . 2 . . . . 175 GLU HB2 . 16689 1 2279 . 1 1 175 175 GLU HB3 H 1 1.851 0.020 . 2 . . . . 175 GLU HB3 . 16689 1 2280 . 1 1 175 175 GLU HG2 H 1 2.318 0.020 . 2 . . . . 175 GLU HG2 . 16689 1 2281 . 1 1 175 175 GLU HG3 H 1 2.215 0.020 . 2 . . . . 175 GLU HG3 . 16689 1 2282 . 1 1 175 175 GLU C C 13 179.288 0.3 . 1 . . . . 175 GLU C . 16689 1 2283 . 1 1 175 175 GLU CA C 13 60.054 0.3 . 1 . . . . 175 GLU CA . 16689 1 2284 . 1 1 175 175 GLU CB C 13 28.507 0.3 . 1 . . . . 175 GLU CB . 16689 1 2285 . 1 1 175 175 GLU CG C 13 36.689 0.3 . 1 . . . . 175 GLU CG . 16689 1 2286 . 1 1 175 175 GLU N N 15 118.214 0.3 . 1 . . . . 175 GLU N . 16689 1 2287 . 1 1 176 176 GLU H H 1 7.770 0.020 . 1 . . . . 176 GLU H . 16689 1 2288 . 1 1 176 176 GLU HA H 1 4.127 0.020 . 1 . . . . 176 GLU HA . 16689 1 2289 . 1 1 176 176 GLU HB2 H 1 2.140 0.020 . 2 . . . . 176 GLU HB2 . 16689 1 2290 . 1 1 176 176 GLU HB3 H 1 2.003 0.020 . 2 . . . . 176 GLU HB3 . 16689 1 2291 . 1 1 176 176 GLU HG2 H 1 2.377 0.020 . 2 . . . . 176 GLU HG2 . 16689 1 2292 . 1 1 176 176 GLU HG3 H 1 2.289 0.020 . 2 . . . . 176 GLU HG3 . 16689 1 2293 . 1 1 176 176 GLU C C 13 177.639 0.3 . 1 . . . . 176 GLU C . 16689 1 2294 . 1 1 176 176 GLU CA C 13 58.922 0.3 . 1 . . . . 176 GLU CA . 16689 1 2295 . 1 1 176 176 GLU CB C 13 30.240 0.3 . 1 . . . . 176 GLU CB . 16689 1 2296 . 1 1 176 176 GLU CG C 13 37.199 0.3 . 1 . . . . 176 GLU CG . 16689 1 2297 . 1 1 176 176 GLU N N 15 121.145 0.3 . 1 . . . . 176 GLU N . 16689 1 2298 . 1 1 177 177 LEU H H 1 7.682 0.020 . 1 . . . . 177 LEU H . 16689 1 2299 . 1 1 177 177 LEU HA H 1 3.816 0.020 . 1 . . . . 177 LEU HA . 16689 1 2300 . 1 1 177 177 LEU HB2 H 1 1.987 0.020 . 2 . . . . 177 LEU HB2 . 16689 1 2301 . 1 1 177 177 LEU HB3 H 1 1.334 0.020 . 2 . . . . 177 LEU HB3 . 16689 1 2302 . 1 1 177 177 LEU HD11 H 1 0.638 0.020 . 2 . . . . 177 LEU HD1 . 16689 1 2303 . 1 1 177 177 LEU HD12 H 1 0.638 0.020 . 2 . . . . 177 LEU HD1 . 16689 1 2304 . 1 1 177 177 LEU HD13 H 1 0.638 0.020 . 2 . . . . 177 LEU HD1 . 16689 1 2305 . 1 1 177 177 LEU HD21 H 1 0.553 0.020 . 2 . . . . 177 LEU HD2 . 16689 1 2306 . 1 1 177 177 LEU HD22 H 1 0.553 0.020 . 2 . . . . 177 LEU HD2 . 16689 1 2307 . 1 1 177 177 LEU HD23 H 1 0.553 0.020 . 2 . . . . 177 LEU HD2 . 16689 1 2308 . 1 1 177 177 LEU HG H 1 1.258 0.020 . 1 . . . . 177 LEU HG . 16689 1 2309 . 1 1 177 177 LEU C C 13 177.671 0.3 . 1 . . . . 177 LEU C . 16689 1 2310 . 1 1 177 177 LEU CA C 13 57.657 0.3 . 1 . . . . 177 LEU CA . 16689 1 2311 . 1 1 177 177 LEU CB C 13 40.712 0.3 . 1 . . . . 177 LEU CB . 16689 1 2312 . 1 1 177 177 LEU CD1 C 13 22.943 0.3 . 2 . . . . 177 LEU CD1 . 16689 1 2313 . 1 1 177 177 LEU CD2 C 13 26.317 0.3 . 2 . . . . 177 LEU CD2 . 16689 1 2314 . 1 1 177 177 LEU CG C 13 26.652 0.3 . 1 . . . . 177 LEU CG . 16689 1 2315 . 1 1 177 177 LEU N N 15 121.228 0.3 . 1 . . . . 177 LEU N . 16689 1 2316 . 1 1 178 178 ASP H H 1 8.797 0.020 . 1 . . . . 178 ASP H . 16689 1 2317 . 1 1 178 178 ASP HA H 1 4.188 0.020 . 1 . . . . 178 ASP HA . 16689 1 2318 . 1 1 178 178 ASP HB2 H 1 2.583 0.020 . 2 . . . . 178 ASP HB2 . 16689 1 2319 . 1 1 178 178 ASP HB3 H 1 2.510 0.020 . 2 . . . . 178 ASP HB3 . 16689 1 2320 . 1 1 178 178 ASP C C 13 179.687 0.3 . 1 . . . . 178 ASP C . 16689 1 2321 . 1 1 178 178 ASP CA C 13 57.628 0.3 . 1 . . . . 178 ASP CA . 16689 1 2322 . 1 1 178 178 ASP CB C 13 40.102 0.3 . 1 . . . . 178 ASP CB . 16689 1 2323 . 1 1 178 178 ASP N N 15 119.395 0.3 . 1 . . . . 178 ASP N . 16689 1 2324 . 1 1 179 179 GLU H H 1 7.933 0.020 . 1 . . . . 179 GLU H . 16689 1 2325 . 1 1 179 179 GLU HA H 1 3.985 0.020 . 1 . . . . 179 GLU HA . 16689 1 2326 . 1 1 179 179 GLU HB2 H 1 2.269 0.020 . 2 . . . . 179 GLU HB2 . 16689 1 2327 . 1 1 179 179 GLU HB3 H 1 2.224 0.020 . 2 . . . . 179 GLU HB3 . 16689 1 2328 . 1 1 179 179 GLU HG2 H 1 2.490 0.020 . 2 . . . . 179 GLU HG2 . 16689 1 2329 . 1 1 179 179 GLU HG3 H 1 2.266 0.020 . 2 . . . . 179 GLU HG3 . 16689 1 2330 . 1 1 179 179 GLU C C 13 179.033 0.3 . 1 . . . . 179 GLU C . 16689 1 2331 . 1 1 179 179 GLU CA C 13 59.286 0.3 . 1 . . . . 179 GLU CA . 16689 1 2332 . 1 1 179 179 GLU CB C 13 29.218 0.3 . 1 . . . . 179 GLU CB . 16689 1 2333 . 1 1 179 179 GLU CG C 13 36.387 0.3 . 1 . . . . 179 GLU CG . 16689 1 2334 . 1 1 179 179 GLU N N 15 121.839 0.3 . 1 . . . . 179 GLU N . 16689 1 2335 . 1 1 180 180 LEU H H 1 8.503 0.020 . 1 . . . . 180 LEU H . 16689 1 2336 . 1 1 180 180 LEU HA H 1 3.317 0.020 . 1 . . . . 180 LEU HA . 16689 1 2337 . 1 1 180 180 LEU HB2 H 1 1.777 0.020 . 2 . . . . 180 LEU HB2 . 16689 1 2338 . 1 1 180 180 LEU HB3 H 1 0.615 0.020 . 2 . . . . 180 LEU HB3 . 16689 1 2339 . 1 1 180 180 LEU HD11 H 1 0.959 0.020 . 2 . . . . 180 LEU HD1 . 16689 1 2340 . 1 1 180 180 LEU HD12 H 1 0.959 0.020 . 2 . . . . 180 LEU HD1 . 16689 1 2341 . 1 1 180 180 LEU HD13 H 1 0.959 0.020 . 2 . . . . 180 LEU HD1 . 16689 1 2342 . 1 1 180 180 LEU HD21 H 1 -0.136 0.020 . 2 . . . . 180 LEU HD2 . 16689 1 2343 . 1 1 180 180 LEU HD22 H 1 -0.136 0.020 . 2 . . . . 180 LEU HD2 . 16689 1 2344 . 1 1 180 180 LEU HD23 H 1 -0.136 0.020 . 2 . . . . 180 LEU HD2 . 16689 1 2345 . 1 1 180 180 LEU HG H 1 0.613 0.020 . 1 . . . . 180 LEU HG . 16689 1 2346 . 1 1 180 180 LEU C C 13 177.866 0.3 . 1 . . . . 180 LEU C . 16689 1 2347 . 1 1 180 180 LEU CA C 13 57.446 0.3 . 1 . . . . 180 LEU CA . 16689 1 2348 . 1 1 180 180 LEU CB C 13 39.929 0.3 . 1 . . . . 180 LEU CB . 16689 1 2349 . 1 1 180 180 LEU CD1 C 13 26.055 0.3 . 2 . . . . 180 LEU CD1 . 16689 1 2350 . 1 1 180 180 LEU CD2 C 13 21.502 0.3 . 2 . . . . 180 LEU CD2 . 16689 1 2351 . 1 1 180 180 LEU CG C 13 28.458 0.3 . 1 . . . . 180 LEU CG . 16689 1 2352 . 1 1 180 180 LEU N N 15 123.280 0.3 . 1 . . . . 180 LEU N . 16689 1 2353 . 1 1 181 181 VAL H H 1 8.684 0.020 . 1 . . . . 181 VAL H . 16689 1 2354 . 1 1 181 181 VAL HA H 1 3.132 0.020 . 1 . . . . 181 VAL HA . 16689 1 2355 . 1 1 181 181 VAL HB H 1 2.124 0.020 . 1 . . . . 181 VAL HB . 16689 1 2356 . 1 1 181 181 VAL HG11 H 1 0.770 0.020 . 2 . . . . 181 VAL HG1 . 16689 1 2357 . 1 1 181 181 VAL HG12 H 1 0.770 0.020 . 2 . . . . 181 VAL HG1 . 16689 1 2358 . 1 1 181 181 VAL HG13 H 1 0.770 0.020 . 2 . . . . 181 VAL HG1 . 16689 1 2359 . 1 1 181 181 VAL HG21 H 1 0.716 0.020 . 2 . . . . 181 VAL HG2 . 16689 1 2360 . 1 1 181 181 VAL HG22 H 1 0.716 0.020 . 2 . . . . 181 VAL HG2 . 16689 1 2361 . 1 1 181 181 VAL HG23 H 1 0.716 0.020 . 2 . . . . 181 VAL HG2 . 16689 1 2362 . 1 1 181 181 VAL C C 13 177.037 0.3 . 1 . . . . 181 VAL C . 16689 1 2363 . 1 1 181 181 VAL CA C 13 68.001 0.3 . 1 . . . . 181 VAL CA . 16689 1 2364 . 1 1 181 181 VAL CB C 13 31.140 0.3 . 1 . . . . 181 VAL CB . 16689 1 2365 . 1 1 181 181 VAL CG1 C 13 23.243 0.3 . 2 . . . . 181 VAL CG1 . 16689 1 2366 . 1 1 181 181 VAL CG2 C 13 21.847 0.3 . 2 . . . . 181 VAL CG2 . 16689 1 2367 . 1 1 181 181 VAL N N 15 119.930 0.3 . 1 . . . . 181 VAL N . 16689 1 2368 . 1 1 182 182 SER H H 1 7.805 0.020 . 1 . . . . 182 SER H . 16689 1 2369 . 1 1 182 182 SER HA H 1 3.902 0.020 . 1 . . . . 182 SER HA . 16689 1 2370 . 1 1 182 182 SER HB2 H 1 3.849 0.020 . 1 . . . . 182 SER HB2 . 16689 1 2371 . 1 1 182 182 SER HB3 H 1 3.849 0.020 . 1 . . . . 182 SER HB3 . 16689 1 2372 . 1 1 182 182 SER C C 13 177.290 0.3 . 1 . . . . 182 SER C . 16689 1 2373 . 1 1 182 182 SER CA C 13 62.611 0.3 . 1 . . . . 182 SER CA . 16689 1 2374 . 1 1 182 182 SER CB C 13 62.615 0.3 . 1 . . . . 182 SER CB . 16689 1 2375 . 1 1 182 182 SER N N 15 112.691 0.3 . 1 . . . . 182 SER N . 16689 1 2376 . 1 1 183 183 PHE H H 1 8.137 0.020 . 1 . . . . 183 PHE H . 16689 1 2377 . 1 1 183 183 PHE HA H 1 4.095 0.020 . 1 . . . . 183 PHE HA . 16689 1 2378 . 1 1 183 183 PHE HB2 H 1 3.290 0.020 . 2 . . . . 183 PHE HB2 . 16689 1 2379 . 1 1 183 183 PHE HB3 H 1 3.106 0.020 . 2 . . . . 183 PHE HB3 . 16689 1 2380 . 1 1 183 183 PHE HD1 H 1 6.904 0.020 . 1 . . . . 183 PHE HD1 . 16689 1 2381 . 1 1 183 183 PHE HD2 H 1 6.904 0.020 . 1 . . . . 183 PHE HD2 . 16689 1 2382 . 1 1 183 183 PHE HE1 H 1 7.117 0.020 . 1 . . . . 183 PHE HE1 . 16689 1 2383 . 1 1 183 183 PHE HE2 H 1 7.117 0.020 . 1 . . . . 183 PHE HE2 . 16689 1 2384 . 1 1 183 183 PHE HZ H 1 7.344 0.020 . 1 . . . . 183 PHE HZ . 16689 1 2385 . 1 1 183 183 PHE C C 13 177.290 0.3 . 1 . . . . 183 PHE C . 16689 1 2386 . 1 1 183 183 PHE CA C 13 60.647 0.3 . 1 . . . . 183 PHE CA . 16689 1 2387 . 1 1 183 183 PHE CB C 13 39.221 0.3 . 1 . . . . 183 PHE CB . 16689 1 2388 . 1 1 183 183 PHE CD1 C 13 131.602 0.3 . 1 . . . . 183 PHE CD1 . 16689 1 2389 . 1 1 183 183 PHE CD2 C 13 131.602 0.3 . 1 . . . . 183 PHE CD2 . 16689 1 2390 . 1 1 183 183 PHE CE1 C 13 131.374 0.3 . 1 . . . . 183 PHE CE1 . 16689 1 2391 . 1 1 183 183 PHE CE2 C 13 131.374 0.3 . 1 . . . . 183 PHE CE2 . 16689 1 2392 . 1 1 183 183 PHE CZ C 13 130.108 0.3 . 1 . . . . 183 PHE CZ . 16689 1 2393 . 1 1 183 183 PHE N N 15 123.267 0.3 . 1 . . . . 183 PHE N . 16689 1 2394 . 1 1 184 184 LEU H H 1 8.532 0.020 . 1 . . . . 184 LEU H . 16689 1 2395 . 1 1 184 184 LEU HA H 1 3.276 0.020 . 1 . . . . 184 LEU HA . 16689 1 2396 . 1 1 184 184 LEU HB2 H 1 1.664 0.020 . 2 . . . . 184 LEU HB2 . 16689 1 2397 . 1 1 184 184 LEU HB3 H 1 0.748 0.020 . 2 . . . . 184 LEU HB3 . 16689 1 2398 . 1 1 184 184 LEU HD11 H 1 0.376 0.020 . 2 . . . . 184 LEU HD1 . 16689 1 2399 . 1 1 184 184 LEU HD12 H 1 0.376 0.020 . 2 . . . . 184 LEU HD1 . 16689 1 2400 . 1 1 184 184 LEU HD13 H 1 0.376 0.020 . 2 . . . . 184 LEU HD1 . 16689 1 2401 . 1 1 184 184 LEU HD21 H 1 -0.557 0.020 . 2 . . . . 184 LEU HD2 . 16689 1 2402 . 1 1 184 184 LEU HD22 H 1 -0.557 0.020 . 2 . . . . 184 LEU HD2 . 16689 1 2403 . 1 1 184 184 LEU HD23 H 1 -0.557 0.020 . 2 . . . . 184 LEU HD2 . 16689 1 2404 . 1 1 184 184 LEU HG H 1 1.572 0.020 . 1 . . . . 184 LEU HG . 16689 1 2405 . 1 1 184 184 LEU C C 13 179.140 0.3 . 1 . . . . 184 LEU C . 16689 1 2406 . 1 1 184 184 LEU CA C 13 56.529 0.3 . 1 . . . . 184 LEU CA . 16689 1 2407 . 1 1 184 184 LEU CB C 13 41.568 0.3 . 1 . . . . 184 LEU CB . 16689 1 2408 . 1 1 184 184 LEU CD1 C 13 25.712 0.3 . 2 . . . . 184 LEU CD1 . 16689 1 2409 . 1 1 184 184 LEU CD2 C 13 20.220 0.3 . 2 . . . . 184 LEU CD2 . 16689 1 2410 . 1 1 184 184 LEU CG C 13 25.512 0.3 . 1 . . . . 184 LEU CG . 16689 1 2411 . 1 1 184 184 LEU N N 15 118.253 0.3 . 1 . . . . 184 LEU N . 16689 1 2412 . 1 1 185 185 LEU H H 1 8.253 0.020 . 1 . . . . 185 LEU H . 16689 1 2413 . 1 1 185 185 LEU HA H 1 3.824 0.020 . 1 . . . . 185 LEU HA . 16689 1 2414 . 1 1 185 185 LEU HB2 H 1 1.775 0.020 . 1 . . . . 185 LEU HB2 . 16689 1 2415 . 1 1 185 185 LEU HB3 H 1 1.260 0.020 . 1 . . . . 185 LEU HB3 . 16689 1 2416 . 1 1 185 185 LEU HD11 H 1 0.557 0.020 . 2 . . . . 185 LEU HD1 . 16689 1 2417 . 1 1 185 185 LEU HD12 H 1 0.557 0.020 . 2 . . . . 185 LEU HD1 . 16689 1 2418 . 1 1 185 185 LEU HD13 H 1 0.557 0.020 . 2 . . . . 185 LEU HD1 . 16689 1 2419 . 1 1 185 185 LEU HD21 H 1 0.679 0.020 . 2 . . . . 185 LEU HD2 . 16689 1 2420 . 1 1 185 185 LEU HD22 H 1 0.679 0.020 . 2 . . . . 185 LEU HD2 . 16689 1 2421 . 1 1 185 185 LEU HD23 H 1 0.679 0.020 . 2 . . . . 185 LEU HD2 . 16689 1 2422 . 1 1 185 185 LEU HG H 1 1.594 0.020 . 1 . . . . 185 LEU HG . 16689 1 2423 . 1 1 185 185 LEU C C 13 177.294 0.3 . 1 . . . . 185 LEU C . 16689 1 2424 . 1 1 185 185 LEU CA C 13 56.542 0.3 . 1 . . . . 185 LEU CA . 16689 1 2425 . 1 1 185 185 LEU CB C 13 42.339 0.3 . 1 . . . . 185 LEU CB . 16689 1 2426 . 1 1 185 185 LEU CD1 C 13 27.024 0.3 . 1 . . . . 185 LEU CD1 . 16689 1 2427 . 1 1 185 185 LEU CD2 C 13 23.921 0.3 . 1 . . . . 185 LEU CD2 . 16689 1 2428 . 1 1 185 185 LEU CG C 13 26.964 0.3 . 1 . . . . 185 LEU CG . 16689 1 2429 . 1 1 185 185 LEU N N 15 119.016 0.3 . 1 . . . . 185 LEU N . 16689 1 2430 . 1 1 186 186 ALA H H 1 6.800 0.020 . 1 . . . . 186 ALA H . 16689 1 2431 . 1 1 186 186 ALA HA H 1 4.210 0.020 . 1 . . . . 186 ALA HA . 16689 1 2432 . 1 1 186 186 ALA HB1 H 1 1.263 0.020 . 1 . . . . 186 ALA HB . 16689 1 2433 . 1 1 186 186 ALA HB2 H 1 1.263 0.020 . 1 . . . . 186 ALA HB . 16689 1 2434 . 1 1 186 186 ALA HB3 H 1 1.263 0.020 . 1 . . . . 186 ALA HB . 16689 1 2435 . 1 1 186 186 ALA C C 13 177.180 0.3 . 1 . . . . 186 ALA C . 16689 1 2436 . 1 1 186 186 ALA CA C 13 51.443 0.3 . 1 . . . . 186 ALA CA . 16689 1 2437 . 1 1 186 186 ALA CB C 13 19.177 0.3 . 1 . . . . 186 ALA CB . 16689 1 2438 . 1 1 186 186 ALA N N 15 118.634 0.3 . 1 . . . . 186 ALA N . 16689 1 2439 . 1 1 187 187 LEU H H 1 6.627 0.020 . 1 . . . . 187 LEU H . 16689 1 2440 . 1 1 187 187 LEU HA H 1 3.687 0.020 . 1 . . . . 187 LEU HA . 16689 1 2441 . 1 1 187 187 LEU HB2 H 1 1.254 0.020 . 2 . . . . 187 LEU HB2 . 16689 1 2442 . 1 1 187 187 LEU HB3 H 1 1.100 0.020 . 2 . . . . 187 LEU HB3 . 16689 1 2443 . 1 1 187 187 LEU HD11 H 1 -0.006 0.020 . 2 . . . . 187 LEU HD1 . 16689 1 2444 . 1 1 187 187 LEU HD12 H 1 -0.006 0.020 . 2 . . . . 187 LEU HD1 . 16689 1 2445 . 1 1 187 187 LEU HD13 H 1 -0.006 0.020 . 2 . . . . 187 LEU HD1 . 16689 1 2446 . 1 1 187 187 LEU HD21 H 1 0.212 0.020 . 2 . . . . 187 LEU HD2 . 16689 1 2447 . 1 1 187 187 LEU HD22 H 1 0.212 0.020 . 2 . . . . 187 LEU HD2 . 16689 1 2448 . 1 1 187 187 LEU HD23 H 1 0.212 0.020 . 2 . . . . 187 LEU HD2 . 16689 1 2449 . 1 1 187 187 LEU HG H 1 1.088 0.020 . 1 . . . . 187 LEU HG . 16689 1 2450 . 1 1 187 187 LEU C C 13 183.360 0.3 . 1 . . . . 187 LEU C . 16689 1 2451 . 1 1 187 187 LEU CA C 13 57.331 0.3 . 1 . . . . 187 LEU CA . 16689 1 2452 . 1 1 187 187 LEU CB C 13 41.740 0.3 . 1 . . . . 187 LEU CB . 16689 1 2453 . 1 1 187 187 LEU CD1 C 13 24.892 0.3 . 2 . . . . 187 LEU CD1 . 16689 1 2454 . 1 1 187 187 LEU CD2 C 13 22.482 0.3 . 2 . . . . 187 LEU CD2 . 16689 1 2455 . 1 1 187 187 LEU CG C 13 25.491 0.3 . 1 . . . . 187 LEU CG . 16689 1 2456 . 1 1 187 187 LEU N N 15 125.674 0.3 . 1 . . . . 187 LEU N . 16689 1 stop_ save_