data_17905 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17905 _Entry.Title ; 1H, 13C and 15N resonance assignment of the Anticodon Binding Domain of Human Lysyl Aminoacyl tRNA Synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-31 _Entry.Accession_date 2011-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Sheng Liu . . . 17905 2 Pearl Tsang . . . 17905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 490 17905 '15N chemical shifts' 111 17905 '1H chemical shifts' 761 17905 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 . . 2013-01-17 2011-08-31 update BMRB 'update entry citation' 17905 1 . . 2011-12-12 2011-08-31 original author 'original release' 17905 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17905 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22105307 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of the anticodon binding domain of human lysyl aminoacyl tRNA synthetase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _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 173 _Citation.Page_last 176 _Citation.Year 2012 _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 Sheng Liu . . . 17905 1 2 Michael Howell . . . 17905 1 3 Joel Melby . . . 17905 1 4 Pearl Tsang . . . 17905 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'anticodon binding domain' 17905 1 HIV-1 17905 1 LysRS 17905 1 tRNALys,3 17905 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17905 _Assembly.ID 1 _Assembly.Name GED_rrACBcs _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 14210.3 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GED_rrACBcs 1 $GED_rrACBcs A . yes native no no . . . 17905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GED_rrACBcs _Entity.Sf_category entity _Entity.Sf_framecode GED_rrACBcs _Entity.Entry_ID 17905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GED_rrACBcs _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 ; GEDPYPHKFHVDISLTDFIQ KYSHLQPGDHLTDITLKVAG RIHAKRASGGKLIFYDLRGE GVKLQVMANSRNYKSEEEFI HINNKLRRGDIIGVQGNPGK TKKGELSIIPYEITLLSPSL HMLPHL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is a N-terminally truncated (21 residues) form of human LysRS anticodon binding domain' _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Anticodon binding domain of human LysRS' _Entity.Mutation C209S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14210.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 PDB 3BJU . "Crystal Structure Of Tetrameric Form Of Human Lysyl-Trna Synthetase" . . . . . 100.00 521 99.21 99.21 9.44e-81 . . . . 17905 1 2 no PDB 4DPG . "Crystal Structure Of Human Lysrs: P38/aimp2 Complex I" . . . . . 100.00 513 99.21 99.21 5.29e-81 . . . . 17905 1 3 no PDB 4YCU . "Crystal Structure Of Cladosporin In Complex With Human Lysyl-trna Synthetase" . . . . . 100.00 513 99.21 99.21 5.29e-81 . . . . 17905 1 4 no PDB 4YCW . "Crystal Structure Of Cladosporin In Complex With Plasmodium Like Human Lysyl-trna Synthetase Mutant" . . . . . 100.00 513 99.21 99.21 4.27e-81 . . . . 17905 1 5 no DBJ BAA06688 . "KIAA0070 [Homo sapiens]" . . . . . 100.00 597 99.21 99.21 5.86e-81 . . . . 17905 1 6 no DBJ BAA22084 . "Lysyl tRNA Synthetase [Homo sapiens]" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 7 no DBJ BAG09591 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 100.00 597 99.21 99.21 5.86e-81 . . . . 17905 1 8 no EMBL CAH89490 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 625 99.21 99.21 1.52e-80 . . . . 17905 1 9 no GB AAG30114 . "lysyl-tRNA synthetase [Homo sapiens]" . . . . . 100.00 625 99.21 99.21 1.21e-80 . . . . 17905 1 10 no GB AAH04132 . "Lysyl-tRNA synthetase [Homo sapiens]" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 11 no GB ABM83227 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 12 no GB ABM86426 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 13 no GB AIC54646 . "KARS, partial [synthetic construct]" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 14 no REF NP_001123561 . "lysine--tRNA ligase isoform 1 [Homo sapiens]" . . . . . 100.00 625 99.21 99.21 1.45e-80 . . . . 17905 1 15 no REF NP_001127155 . "lysine--tRNA ligase [Pongo abelii]" . . . . . 100.00 625 99.21 99.21 1.52e-80 . . . . 17905 1 16 no REF NP_001244522 . "lysine--tRNA ligase [Macaca mulatta]" . . . . . 100.00 625 98.41 99.21 7.71e-80 . . . . 17905 1 17 no REF NP_005539 . "lysine--tRNA ligase isoform 2 [Homo sapiens]" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 18 no REF XP_002761205 . "PREDICTED: lysine--tRNA ligase isoform X1 [Callithrix jacchus]" . . . . . 100.00 625 97.62 99.21 1.22e-79 . . . . 17905 1 19 no SP Q15046 . "RecName: Full=Lysine--tRNA ligase; AltName: Full=Lysyl-tRNA synthetase; Short=LysRS" . . . . . 100.00 597 99.21 99.21 5.73e-81 . . . . 17905 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID "Specifically binds to the anticodon 'UUU' of lysyl-tRNA" 17905 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 91 GLY . 17905 1 2 92 GLU . 17905 1 3 93 ASP . 17905 1 4 94 PRO . 17905 1 5 95 TYR . 17905 1 6 96 PRO . 17905 1 7 97 HIS . 17905 1 8 98 LYS . 17905 1 9 99 PHE . 17905 1 10 100 HIS . 17905 1 11 101 VAL . 17905 1 12 102 ASP . 17905 1 13 103 ILE . 17905 1 14 104 SER . 17905 1 15 105 LEU . 17905 1 16 106 THR . 17905 1 17 107 ASP . 17905 1 18 108 PHE . 17905 1 19 109 ILE . 17905 1 20 110 GLN . 17905 1 21 111 LYS . 17905 1 22 112 TYR . 17905 1 23 113 SER . 17905 1 24 114 HIS . 17905 1 25 115 LEU . 17905 1 26 116 GLN . 17905 1 27 117 PRO . 17905 1 28 118 GLY . 17905 1 29 119 ASP . 17905 1 30 120 HIS . 17905 1 31 121 LEU . 17905 1 32 122 THR . 17905 1 33 123 ASP . 17905 1 34 124 ILE . 17905 1 35 125 THR . 17905 1 36 126 LEU . 17905 1 37 127 LYS . 17905 1 38 128 VAL . 17905 1 39 129 ALA . 17905 1 40 130 GLY . 17905 1 41 131 ARG . 17905 1 42 132 ILE . 17905 1 43 133 HIS . 17905 1 44 134 ALA . 17905 1 45 135 LYS . 17905 1 46 136 ARG . 17905 1 47 137 ALA . 17905 1 48 138 SER . 17905 1 49 139 GLY . 17905 1 50 140 GLY . 17905 1 51 141 LYS . 17905 1 52 142 LEU . 17905 1 53 143 ILE . 17905 1 54 144 PHE . 17905 1 55 145 TYR . 17905 1 56 146 ASP . 17905 1 57 147 LEU . 17905 1 58 148 ARG . 17905 1 59 149 GLY . 17905 1 60 150 GLU . 17905 1 61 151 GLY . 17905 1 62 152 VAL . 17905 1 63 153 LYS . 17905 1 64 154 LEU . 17905 1 65 155 GLN . 17905 1 66 156 VAL . 17905 1 67 157 MET . 17905 1 68 158 ALA . 17905 1 69 159 ASN . 17905 1 70 160 SER . 17905 1 71 161 ARG . 17905 1 72 162 ASN . 17905 1 73 163 TYR . 17905 1 74 164 LYS . 17905 1 75 165 SER . 17905 1 76 166 GLU . 17905 1 77 167 GLU . 17905 1 78 168 GLU . 17905 1 79 169 PHE . 17905 1 80 170 ILE . 17905 1 81 171 HIS . 17905 1 82 172 ILE . 17905 1 83 173 ASN . 17905 1 84 174 ASN . 17905 1 85 175 LYS . 17905 1 86 176 LEU . 17905 1 87 177 ARG . 17905 1 88 178 ARG . 17905 1 89 179 GLY . 17905 1 90 180 ASP . 17905 1 91 181 ILE . 17905 1 92 182 ILE . 17905 1 93 183 GLY . 17905 1 94 184 VAL . 17905 1 95 185 GLN . 17905 1 96 186 GLY . 17905 1 97 187 ASN . 17905 1 98 188 PRO . 17905 1 99 189 GLY . 17905 1 100 190 LYS . 17905 1 101 191 THR . 17905 1 102 192 LYS . 17905 1 103 193 LYS . 17905 1 104 194 GLY . 17905 1 105 195 GLU . 17905 1 106 196 LEU . 17905 1 107 197 SER . 17905 1 108 198 ILE . 17905 1 109 199 ILE . 17905 1 110 200 PRO . 17905 1 111 201 TYR . 17905 1 112 202 GLU . 17905 1 113 203 ILE . 17905 1 114 204 THR . 17905 1 115 205 LEU . 17905 1 116 206 LEU . 17905 1 117 207 SER . 17905 1 118 208 PRO . 17905 1 119 209 SER . 17905 1 120 210 LEU . 17905 1 121 211 HIS . 17905 1 122 212 MET . 17905 1 123 213 LEU . 17905 1 124 214 PRO . 17905 1 125 215 HIS . 17905 1 126 216 LEU . 17905 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17905 1 . GLU 2 2 17905 1 . ASP 3 3 17905 1 . PRO 4 4 17905 1 . TYR 5 5 17905 1 . PRO 6 6 17905 1 . HIS 7 7 17905 1 . LYS 8 8 17905 1 . PHE 9 9 17905 1 . HIS 10 10 17905 1 . VAL 11 11 17905 1 . ASP 12 12 17905 1 . ILE 13 13 17905 1 . SER 14 14 17905 1 . LEU 15 15 17905 1 . THR 16 16 17905 1 . ASP 17 17 17905 1 . PHE 18 18 17905 1 . ILE 19 19 17905 1 . GLN 20 20 17905 1 . LYS 21 21 17905 1 . TYR 22 22 17905 1 . SER 23 23 17905 1 . HIS 24 24 17905 1 . LEU 25 25 17905 1 . GLN 26 26 17905 1 . PRO 27 27 17905 1 . GLY 28 28 17905 1 . ASP 29 29 17905 1 . HIS 30 30 17905 1 . LEU 31 31 17905 1 . THR 32 32 17905 1 . ASP 33 33 17905 1 . ILE 34 34 17905 1 . THR 35 35 17905 1 . LEU 36 36 17905 1 . LYS 37 37 17905 1 . VAL 38 38 17905 1 . ALA 39 39 17905 1 . GLY 40 40 17905 1 . ARG 41 41 17905 1 . ILE 42 42 17905 1 . HIS 43 43 17905 1 . ALA 44 44 17905 1 . LYS 45 45 17905 1 . ARG 46 46 17905 1 . ALA 47 47 17905 1 . SER 48 48 17905 1 . GLY 49 49 17905 1 . GLY 50 50 17905 1 . LYS 51 51 17905 1 . LEU 52 52 17905 1 . ILE 53 53 17905 1 . PHE 54 54 17905 1 . TYR 55 55 17905 1 . ASP 56 56 17905 1 . LEU 57 57 17905 1 . ARG 58 58 17905 1 . GLY 59 59 17905 1 . GLU 60 60 17905 1 . GLY 61 61 17905 1 . VAL 62 62 17905 1 . LYS 63 63 17905 1 . LEU 64 64 17905 1 . GLN 65 65 17905 1 . VAL 66 66 17905 1 . MET 67 67 17905 1 . ALA 68 68 17905 1 . ASN 69 69 17905 1 . SER 70 70 17905 1 . ARG 71 71 17905 1 . ASN 72 72 17905 1 . TYR 73 73 17905 1 . LYS 74 74 17905 1 . SER 75 75 17905 1 . GLU 76 76 17905 1 . GLU 77 77 17905 1 . GLU 78 78 17905 1 . PHE 79 79 17905 1 . ILE 80 80 17905 1 . HIS 81 81 17905 1 . ILE 82 82 17905 1 . ASN 83 83 17905 1 . ASN 84 84 17905 1 . LYS 85 85 17905 1 . LEU 86 86 17905 1 . ARG 87 87 17905 1 . ARG 88 88 17905 1 . GLY 89 89 17905 1 . ASP 90 90 17905 1 . ILE 91 91 17905 1 . ILE 92 92 17905 1 . GLY 93 93 17905 1 . VAL 94 94 17905 1 . GLN 95 95 17905 1 . GLY 96 96 17905 1 . ASN 97 97 17905 1 . PRO 98 98 17905 1 . GLY 99 99 17905 1 . LYS 100 100 17905 1 . THR 101 101 17905 1 . LYS 102 102 17905 1 . LYS 103 103 17905 1 . GLY 104 104 17905 1 . GLU 105 105 17905 1 . LEU 106 106 17905 1 . SER 107 107 17905 1 . ILE 108 108 17905 1 . ILE 109 109 17905 1 . PRO 110 110 17905 1 . TYR 111 111 17905 1 . GLU 112 112 17905 1 . ILE 113 113 17905 1 . THR 114 114 17905 1 . LEU 115 115 17905 1 . LEU 116 116 17905 1 . SER 117 117 17905 1 . PRO 118 118 17905 1 . SER 119 119 17905 1 . LEU 120 120 17905 1 . HIS 121 121 17905 1 . MET 122 122 17905 1 . LEU 123 123 17905 1 . PRO 124 124 17905 1 . HIS 125 125 17905 1 . LEU 126 126 17905 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 17905 _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 $GED_rrACBcs . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . LysRS . 'Anticodon binding domain of human LysRS' . . 17905 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 17905 _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 $GED_rrACBcs . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 pLysS' . . . . . . . . . . . . . . . pET-30 . . . . . . 17905 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17905 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 20 mM NaCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.8, 298.15 K.' _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 GED_rrACBcs '[U-100% 13C; U-100% 15N]' . . 1 $GED_rrACBcs . . 1.3 . . mM . . . . 17905 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17905 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 20 mM NaCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.8, 298.15 K.' 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' 40 . mM 17905 1 pH 6.8 . pH 17905 1 pressure 1 . atm 17905 1 temperature 298.15 . K 17905 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17905 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' . 17905 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17905 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17905 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17905 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17905 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17905 _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 Varian INOVA . 600 . . . 17905 1 2 spectrometer_2 Varian INOVA . 800 . . . 17905 1 3 spectrometer_3 Bruker DMX . 500 . . . 17905 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 17905 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 2 '3D HN(CA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 6 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 8 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 9 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 10 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17905 1 11 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17905 1 12 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17905 1 13 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17905 1 14 '2D (HB)CB(CGCD)HD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17905 1 15 '2D (HB)CB(CGCDCE)HE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17905 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17905 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17905 _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 . . . . . . . . . 17905 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17905 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17905 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 17905 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Error values are based on spectral quality.' _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' . . . 17905 1 2 '3D HN(CA)CB' . . . 17905 1 3 '3D CBCA(CO)NH' . . . 17905 1 4 '3D HNCA' . . . 17905 1 5 '3D HNCO' . . . 17905 1 6 '3D C(CO)NH' . . . 17905 1 7 '3D H(CCO)NH' . . . 17905 1 9 '2D 1H-13C HSQC aromatic' . . . 17905 1 10 '3D HCCH-TOCSY' . . . 17905 1 11 '3D 1H-15N TOCSY' . . . 17905 1 13 '3D 1H-13C NOESY aromatic' . . . 17905 1 14 '2D (HB)CB(CGCD)HD' . . . 17905 1 15 '2D (HB)CB(CGCDCE)HE' . . . 17905 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 2 2 GLU HA H 1 4.344 0.02 . 1 . . . . 92 GLU HA . 17905 1 2 . 1 1 2 2 GLU HB2 H 1 2.029 0.02 . 2 . . . . 92 GLU HB2 . 17905 1 3 . 1 1 2 2 GLU HB3 H 1 1.871 0.02 . 2 . . . . 92 GLU HB3 . 17905 1 4 . 1 1 2 2 GLU HG2 H 1 2.236 0.02 . 2 . . . . 92 GLU HG2 . 17905 1 5 . 1 1 2 2 GLU C C 13 176.029 0.2 . 1 . . . . 92 GLU C . 17905 1 6 . 1 1 2 2 GLU CA C 13 56.062 0.2 . 1 . . . . 92 GLU CA . 17905 1 7 . 1 1 2 2 GLU CB C 13 30.642 0.2 . 1 . . . . 92 GLU CB . 17905 1 8 . 1 1 2 2 GLU CG C 13 36.218 0.2 . 1 . . . . 92 GLU CG . 17905 1 9 . 1 1 3 3 ASP H H 1 8.527 0.02 . 1 . . . . 93 ASP H . 17905 1 10 . 1 1 3 3 ASP HA H 1 4.809 0.02 . 1 . . . . 93 ASP HA . 17905 1 11 . 1 1 3 3 ASP HB2 H 1 2.685 0.02 . 2 . . . . 93 ASP HB2 . 17905 1 12 . 1 1 3 3 ASP HB3 H 1 2.489 0.02 . 2 . . . . 93 ASP HB3 . 17905 1 13 . 1 1 3 3 ASP CA C 13 52.486 0.2 . 1 . . . . 93 ASP CA . 17905 1 14 . 1 1 3 3 ASP CB C 13 41.034 0.2 . 1 . . . . 93 ASP CB . 17905 1 15 . 1 1 3 3 ASP N N 15 124.476 0.2 . 1 . . . . 93 ASP N . 17905 1 16 . 1 1 4 4 PRO HA H 1 4.331 0.02 . 1 . . . . 94 PRO HA . 17905 1 17 . 1 1 4 4 PRO HB2 H 1 2.119 0.02 . 2 . . . . 94 PRO HB2 . 17905 1 18 . 1 1 4 4 PRO HB3 H 1 1.633 0.02 . 2 . . . . 94 PRO HB3 . 17905 1 19 . 1 1 4 4 PRO HG2 H 1 1.939 0.02 . 2 . . . . 94 PRO HG2 . 17905 1 20 . 1 1 4 4 PRO HG3 H 1 1.792 0.02 . 2 . . . . 94 PRO HG3 . 17905 1 21 . 1 1 4 4 PRO HD2 H 1 3.792 0.02 . 2 . . . . 94 PRO HD2 . 17905 1 22 . 1 1 4 4 PRO HD3 H 1 3.701 0.02 . 2 . . . . 94 PRO HD3 . 17905 1 23 . 1 1 4 4 PRO C C 13 176.353 0.2 . 1 . . . . 94 PRO C . 17905 1 24 . 1 1 4 4 PRO CA C 13 63.253 0.2 . 1 . . . . 94 PRO CA . 17905 1 25 . 1 1 4 4 PRO CB C 13 31.918 0.2 . 1 . . . . 94 PRO CB . 17905 1 26 . 1 1 4 4 PRO CG C 13 26.910 0.2 . 1 . . . . 94 PRO CG . 17905 1 27 . 1 1 4 4 PRO CD C 13 50.619 0.2 . 1 . . . . 94 PRO CD . 17905 1 28 . 1 1 5 5 TYR H H 1 8.133 0.02 . 1 . . . . 95 TYR H . 17905 1 29 . 1 1 5 5 TYR HA H 1 4.804 0.02 . 1 . . . . 95 TYR HA . 17905 1 30 . 1 1 5 5 TYR HB2 H 1 2.998 0.02 . 2 . . . . 95 TYR HB2 . 17905 1 31 . 1 1 5 5 TYR HB3 H 1 2.872 0.02 . 2 . . . . 95 TYR HB3 . 17905 1 32 . 1 1 5 5 TYR HD1 H 1 7.116 0.02 . 3 . . . . 95 TYR HD1 . 17905 1 33 . 1 1 5 5 TYR HE1 H 1 6.808 0.02 . 3 . . . . 95 TYR HE1 . 17905 1 34 . 1 1 5 5 TYR CA C 13 55.678 0.2 . 1 . . . . 95 TYR CA . 17905 1 35 . 1 1 5 5 TYR CB C 13 38.361 0.2 . 1 . . . . 95 TYR CB . 17905 1 36 . 1 1 5 5 TYR CD1 C 13 133.470 0.2 . 3 . . . . 95 TYR CD1 . 17905 1 37 . 1 1 5 5 TYR CE1 C 13 118.182 0.2 . 3 . . . . 95 TYR CE1 . 17905 1 38 . 1 1 5 5 TYR N N 15 121.226 0.2 . 1 . . . . 95 TYR N . 17905 1 39 . 1 1 8 8 LYS HA H 1 4.261 0.02 . 1 . . . . 98 LYS HA . 17905 1 40 . 1 1 8 8 LYS HB2 H 1 1.649 0.02 . 2 . . . . 98 LYS HB2 . 17905 1 41 . 1 1 8 8 LYS HB3 H 1 1.582 0.02 . 2 . . . . 98 LYS HB3 . 17905 1 42 . 1 1 8 8 LYS HG2 H 1 1.131 0.02 . 2 . . . . 98 LYS HG2 . 17905 1 43 . 1 1 8 8 LYS HE2 H 1 2.892 0.02 . 2 . . . . 98 LYS HE2 . 17905 1 44 . 1 1 8 8 LYS C C 13 175.228 0.2 . 1 . . . . 98 LYS C . 17905 1 45 . 1 1 8 8 LYS CA C 13 55.942 0.2 . 1 . . . . 98 LYS CA . 17905 1 46 . 1 1 8 8 LYS CB C 13 33.608 0.2 . 1 . . . . 98 LYS CB . 17905 1 47 . 1 1 8 8 LYS CG C 13 24.759 0.2 . 1 . . . . 98 LYS CG . 17905 1 48 . 1 1 9 9 PHE H H 1 8.719 0.02 . 1 . . . . 99 PHE H . 17905 1 49 . 1 1 9 9 PHE HA H 1 4.301 0.02 . 1 . . . . 99 PHE HA . 17905 1 50 . 1 1 9 9 PHE HB2 H 1 2.910 0.02 . 2 . . . . 99 PHE HB2 . 17905 1 51 . 1 1 9 9 PHE HB3 H 1 2.803 0.02 . 2 . . . . 99 PHE HB3 . 17905 1 52 . 1 1 9 9 PHE HD1 H 1 7.030 0.02 . 3 . . . . 99 PHE HD1 . 17905 1 53 . 1 1 9 9 PHE HE1 H 1 7.209 0.02 . 3 . . . . 99 PHE HE1 . 17905 1 54 . 1 1 9 9 PHE CA C 13 58.647 0.2 . 1 . . . . 99 PHE CA . 17905 1 55 . 1 1 9 9 PHE CB C 13 41.804 0.2 . 1 . . . . 99 PHE CB . 17905 1 56 . 1 1 9 9 PHE N N 15 126.736 0.2 . 1 . . . . 99 PHE N . 17905 1 57 . 1 1 10 10 HIS HA H 1 4.582 0.02 . 1 . . . . 100 HIS HA . 17905 1 58 . 1 1 10 10 HIS HB2 H 1 2.829 0.02 . 2 . . . . 100 HIS HB2 . 17905 1 59 . 1 1 10 10 HIS HB3 H 1 2.725 0.02 . 2 . . . . 100 HIS HB3 . 17905 1 60 . 1 1 10 10 HIS HD2 H 1 6.900 0.02 . 1 . . . . 100 HIS HD2 . 17905 1 61 . 1 1 10 10 HIS C C 13 174.092 0.2 . 1 . . . . 100 HIS C . 17905 1 62 . 1 1 10 10 HIS CA C 13 54.976 0.2 . 1 . . . . 100 HIS CA . 17905 1 63 . 1 1 10 10 HIS CB C 13 30.846 0.2 . 1 . . . . 100 HIS CB . 17905 1 64 . 1 1 10 10 HIS CD2 C 13 120.402 0.2 . 1 . . . . 100 HIS CD2 . 17905 1 65 . 1 1 11 11 VAL H H 1 7.898 0.02 . 1 . . . . 101 VAL H . 17905 1 66 . 1 1 11 11 VAL HA H 1 3.785 0.02 . 1 . . . . 101 VAL HA . 17905 1 67 . 1 1 11 11 VAL HB H 1 2.432 0.02 . 1 . . . . 101 VAL HB . 17905 1 68 . 1 1 11 11 VAL HG11 H 1 1.106 0.02 . 2 . . . . 101 VAL HG1 . 17905 1 69 . 1 1 11 11 VAL HG12 H 1 1.106 0.02 . 2 . . . . 101 VAL HG1 . 17905 1 70 . 1 1 11 11 VAL HG13 H 1 1.106 0.02 . 2 . . . . 101 VAL HG1 . 17905 1 71 . 1 1 11 11 VAL HG21 H 1 0.855 0.02 . 2 . . . . 101 VAL HG2 . 17905 1 72 . 1 1 11 11 VAL HG22 H 1 0.855 0.02 . 2 . . . . 101 VAL HG2 . 17905 1 73 . 1 1 11 11 VAL HG23 H 1 0.855 0.02 . 2 . . . . 101 VAL HG2 . 17905 1 74 . 1 1 11 11 VAL C C 13 176.451 0.2 . 1 . . . . 101 VAL C . 17905 1 75 . 1 1 11 11 VAL CA C 13 61.504 0.2 . 1 . . . . 101 VAL CA . 17905 1 76 . 1 1 11 11 VAL CB C 13 32.609 0.2 . 1 . . . . 101 VAL CB . 17905 1 77 . 1 1 11 11 VAL CG1 C 13 22.982 0.2 . 2 . . . . 101 VAL CG1 . 17905 1 78 . 1 1 11 11 VAL CG2 C 13 18.854 0.2 . 2 . . . . 101 VAL CG2 . 17905 1 79 . 1 1 11 11 VAL N N 15 119.417 0.2 . 1 . . . . 101 VAL N . 17905 1 80 . 1 1 12 12 ASP H H 1 9.192 0.02 . 1 . . . . 102 ASP H . 17905 1 81 . 1 1 12 12 ASP HA H 1 4.778 0.02 . 1 . . . . 102 ASP HA . 17905 1 82 . 1 1 12 12 ASP HB2 H 1 2.883 0.02 . 2 . . . . 102 ASP HB2 . 17905 1 83 . 1 1 12 12 ASP HB3 H 1 2.764 0.02 . 2 . . . . 102 ASP HB3 . 17905 1 84 . 1 1 12 12 ASP C C 13 175.963 0.2 . 1 . . . . 102 ASP C . 17905 1 85 . 1 1 12 12 ASP CA C 13 55.710 0.2 . 1 . . . . 102 ASP CA . 17905 1 86 . 1 1 12 12 ASP CB C 13 44.253 0.2 . 1 . . . . 102 ASP CB . 17905 1 87 . 1 1 12 12 ASP N N 15 121.652 0.2 . 1 . . . . 102 ASP N . 17905 1 88 . 1 1 13 13 ILE H H 1 7.766 0.02 . 1 . . . . 103 ILE H . 17905 1 89 . 1 1 13 13 ILE HA H 1 4.661 0.02 . 1 . . . . 103 ILE HA . 17905 1 90 . 1 1 13 13 ILE HB H 1 2.016 0.02 . 1 . . . . 103 ILE HB . 17905 1 91 . 1 1 13 13 ILE HG12 H 1 1.942 0.02 . 2 . . . . 103 ILE HG12 . 17905 1 92 . 1 1 13 13 ILE HG21 H 1 1.108 0.02 . 1 . . . . 103 ILE HG2 . 17905 1 93 . 1 1 13 13 ILE HG22 H 1 1.108 0.02 . 1 . . . . 103 ILE HG2 . 17905 1 94 . 1 1 13 13 ILE HG23 H 1 1.108 0.02 . 1 . . . . 103 ILE HG2 . 17905 1 95 . 1 1 13 13 ILE HD11 H 1 0.951 0.02 . 1 . . . . 103 ILE HD1 . 17905 1 96 . 1 1 13 13 ILE HD12 H 1 0.951 0.02 . 1 . . . . 103 ILE HD1 . 17905 1 97 . 1 1 13 13 ILE HD13 H 1 0.951 0.02 . 1 . . . . 103 ILE HD1 . 17905 1 98 . 1 1 13 13 ILE C C 13 171.904 0.2 . 1 . . . . 103 ILE C . 17905 1 99 . 1 1 13 13 ILE CA C 13 59.646 0.2 . 1 . . . . 103 ILE CA . 17905 1 100 . 1 1 13 13 ILE CB C 13 41.472 0.2 . 1 . . . . 103 ILE CB . 17905 1 101 . 1 1 13 13 ILE CG1 C 13 28.839 0.2 . 1 . . . . 103 ILE CG1 . 17905 1 102 . 1 1 13 13 ILE CG2 C 13 17.479 0.2 . 1 . . . . 103 ILE CG2 . 17905 1 103 . 1 1 13 13 ILE CD1 C 13 14.467 0.2 . 1 . . . . 103 ILE CD1 . 17905 1 104 . 1 1 13 13 ILE N N 15 118.531 0.2 . 1 . . . . 103 ILE N . 17905 1 105 . 1 1 14 14 SER H H 1 8.830 0.02 . 1 . . . . 104 SER H . 17905 1 106 . 1 1 14 14 SER HA H 1 4.620 0.02 . 1 . . . . 104 SER HA . 17905 1 107 . 1 1 14 14 SER HB2 H 1 4.999 0.02 . 2 . . . . 104 SER HB2 . 17905 1 108 . 1 1 14 14 SER HB3 H 1 4.010 0.02 . 2 . . . . 104 SER HB3 . 17905 1 109 . 1 1 14 14 SER C C 13 175.351 0.2 . 1 . . . . 104 SER C . 17905 1 110 . 1 1 14 14 SER CA C 13 57.231 0.2 . 1 . . . . 104 SER CA . 17905 1 111 . 1 1 14 14 SER CB C 13 64.501 0.2 . 1 . . . . 104 SER CB . 17905 1 112 . 1 1 14 14 SER N N 15 122.262 0.2 . 1 . . . . 104 SER N . 17905 1 113 . 1 1 15 15 LEU H H 1 9.979 0.02 . 1 . . . . 105 LEU H . 17905 1 114 . 1 1 15 15 LEU HA H 1 3.980 0.02 . 1 . . . . 105 LEU HA . 17905 1 115 . 1 1 15 15 LEU HB2 H 1 1.577 0.02 . 2 . . . . 105 LEU HB2 . 17905 1 116 . 1 1 15 15 LEU HB3 H 1 1.103 0.02 . 2 . . . . 105 LEU HB3 . 17905 1 117 . 1 1 15 15 LEU HG H 1 1.898 0.02 . 1 . . . . 105 LEU HG . 17905 1 118 . 1 1 15 15 LEU HD11 H 1 0.693 0.02 . 2 . . . . 105 LEU HD1 . 17905 1 119 . 1 1 15 15 LEU HD12 H 1 0.693 0.02 . 2 . . . . 105 LEU HD1 . 17905 1 120 . 1 1 15 15 LEU HD13 H 1 0.693 0.02 . 2 . . . . 105 LEU HD1 . 17905 1 121 . 1 1 15 15 LEU HD21 H 1 0.552 0.02 . 2 . . . . 105 LEU HD2 . 17905 1 122 . 1 1 15 15 LEU HD22 H 1 0.552 0.02 . 2 . . . . 105 LEU HD2 . 17905 1 123 . 1 1 15 15 LEU HD23 H 1 0.552 0.02 . 2 . . . . 105 LEU HD2 . 17905 1 124 . 1 1 15 15 LEU C C 13 179.640 0.2 . 1 . . . . 105 LEU C . 17905 1 125 . 1 1 15 15 LEU CA C 13 58.717 0.2 . 1 . . . . 105 LEU CA . 17905 1 126 . 1 1 15 15 LEU CB C 13 41.917 0.2 . 1 . . . . 105 LEU CB . 17905 1 127 . 1 1 15 15 LEU CG C 13 26.937 0.2 . 1 . . . . 105 LEU CG . 17905 1 128 . 1 1 15 15 LEU CD1 C 13 25.269 0.2 . 2 . . . . 105 LEU CD1 . 17905 1 129 . 1 1 15 15 LEU CD2 C 13 22.901 0.2 . 2 . . . . 105 LEU CD2 . 17905 1 130 . 1 1 15 15 LEU N N 15 123.913 0.2 . 1 . . . . 105 LEU N . 17905 1 131 . 1 1 16 16 THR H H 1 8.769 0.02 . 1 . . . . 106 THR H . 17905 1 132 . 1 1 16 16 THR HA H 1 3.786 0.02 . 1 . . . . 106 THR HA . 17905 1 133 . 1 1 16 16 THR HB H 1 4.122 0.02 . 1 . . . . 106 THR HB . 17905 1 134 . 1 1 16 16 THR HG21 H 1 1.289 0.02 . 1 . . . . 106 THR HG2 . 17905 1 135 . 1 1 16 16 THR HG22 H 1 1.289 0.02 . 1 . . . . 106 THR HG2 . 17905 1 136 . 1 1 16 16 THR HG23 H 1 1.289 0.02 . 1 . . . . 106 THR HG2 . 17905 1 137 . 1 1 16 16 THR C C 13 177.272 0.2 . 1 . . . . 106 THR C . 17905 1 138 . 1 1 16 16 THR CA C 13 67.442 0.2 . 1 . . . . 106 THR CA . 17905 1 139 . 1 1 16 16 THR CB C 13 69.161 0.2 . 1 . . . . 106 THR CB . 17905 1 140 . 1 1 16 16 THR CG2 C 13 21.364 0.2 . 1 . . . . 106 THR CG2 . 17905 1 141 . 1 1 16 16 THR N N 15 113.799 0.2 . 1 . . . . 106 THR N . 17905 1 142 . 1 1 17 17 ASP H H 1 8.226 0.02 . 1 . . . . 107 ASP H . 17905 1 143 . 1 1 17 17 ASP HA H 1 4.534 0.02 . 1 . . . . 107 ASP HA . 17905 1 144 . 1 1 17 17 ASP HB2 H 1 2.926 0.02 . 2 . . . . 107 ASP HB2 . 17905 1 145 . 1 1 17 17 ASP HB3 H 1 2.590 0.02 . 2 . . . . 107 ASP HB3 . 17905 1 146 . 1 1 17 17 ASP C C 13 178.317 0.2 . 1 . . . . 107 ASP C . 17905 1 147 . 1 1 17 17 ASP CA C 13 57.172 0.2 . 1 . . . . 107 ASP CA . 17905 1 148 . 1 1 17 17 ASP CB C 13 39.546 0.2 . 1 . . . . 107 ASP CB . 17905 1 149 . 1 1 17 17 ASP N N 15 123.495 0.2 . 1 . . . . 107 ASP N . 17905 1 150 . 1 1 18 18 PHE H H 1 8.822 0.02 . 1 . . . . 108 PHE H . 17905 1 151 . 1 1 18 18 PHE HA H 1 4.001 0.02 . 1 . . . . 108 PHE HA . 17905 1 152 . 1 1 18 18 PHE HB2 H 1 3.669 0.02 . 2 . . . . 108 PHE HB2 . 17905 1 153 . 1 1 18 18 PHE HB3 H 1 3.146 0.02 . 2 . . . . 108 PHE HB3 . 17905 1 154 . 1 1 18 18 PHE HD1 H 1 7.107 0.02 . 3 . . . . 108 PHE HD1 . 17905 1 155 . 1 1 18 18 PHE HE1 H 1 7.026 0.02 . 3 . . . . 108 PHE HE1 . 17905 1 156 . 1 1 18 18 PHE C C 13 177.195 0.2 . 1 . . . . 108 PHE C . 17905 1 157 . 1 1 18 18 PHE CA C 13 62.321 0.2 . 1 . . . . 108 PHE CA . 17905 1 158 . 1 1 18 18 PHE CB C 13 39.393 0.2 . 1 . . . . 108 PHE CB . 17905 1 159 . 1 1 18 18 PHE CD1 C 13 132.390 0.2 . 3 . . . . 108 PHE CD1 . 17905 1 160 . 1 1 18 18 PHE N N 15 125.082 0.2 . 1 . . . . 108 PHE N . 17905 1 161 . 1 1 19 19 ILE H H 1 8.325 0.02 . 1 . . . . 109 ILE H . 17905 1 162 . 1 1 19 19 ILE HA H 1 3.793 0.02 . 1 . . . . 109 ILE HA . 17905 1 163 . 1 1 19 19 ILE HB H 1 2.027 0.02 . 1 . . . . 109 ILE HB . 17905 1 164 . 1 1 19 19 ILE HG12 H 1 1.414 0.02 . 2 . . . . 109 ILE HG12 . 17905 1 165 . 1 1 19 19 ILE HG21 H 1 1.038 0.02 . 1 . . . . 109 ILE HG2 . 17905 1 166 . 1 1 19 19 ILE HG22 H 1 1.038 0.02 . 1 . . . . 109 ILE HG2 . 17905 1 167 . 1 1 19 19 ILE HG23 H 1 1.038 0.02 . 1 . . . . 109 ILE HG2 . 17905 1 168 . 1 1 19 19 ILE HD11 H 1 1.056 0.02 . 1 . . . . 109 ILE HD1 . 17905 1 169 . 1 1 19 19 ILE HD12 H 1 1.056 0.02 . 1 . . . . 109 ILE HD1 . 17905 1 170 . 1 1 19 19 ILE HD13 H 1 1.056 0.02 . 1 . . . . 109 ILE HD1 . 17905 1 171 . 1 1 19 19 ILE C C 13 179.039 0.2 . 1 . . . . 109 ILE C . 17905 1 172 . 1 1 19 19 ILE CA C 13 64.943 0.2 . 1 . . . . 109 ILE CA . 17905 1 173 . 1 1 19 19 ILE CB C 13 38.727 0.2 . 1 . . . . 109 ILE CB . 17905 1 174 . 1 1 19 19 ILE CG1 C 13 29.676 0.2 . 1 . . . . 109 ILE CG1 . 17905 1 175 . 1 1 19 19 ILE CG2 C 13 17.426 0.2 . 1 . . . . 109 ILE CG2 . 17905 1 176 . 1 1 19 19 ILE CD1 C 13 14.383 0.2 . 1 . . . . 109 ILE CD1 . 17905 1 177 . 1 1 19 19 ILE N N 15 118.609 0.2 . 1 . . . . 109 ILE N . 17905 1 178 . 1 1 20 20 GLN H H 1 7.673 0.02 . 1 . . . . 110 GLN H . 17905 1 179 . 1 1 20 20 GLN HA H 1 4.117 0.02 . 1 . . . . 110 GLN HA . 17905 1 180 . 1 1 20 20 GLN HB2 H 1 2.214 0.02 . 2 . . . . 110 GLN HB2 . 17905 1 181 . 1 1 20 20 GLN HG2 H 1 2.553 0.02 . 2 . . . . 110 GLN HG2 . 17905 1 182 . 1 1 20 20 GLN HG3 H 1 2.466 0.02 . 2 . . . . 110 GLN HG3 . 17905 1 183 . 1 1 20 20 GLN HE21 H 1 7.484 0.02 . 2 . . . . 110 GLN HE21 . 17905 1 184 . 1 1 20 20 GLN HE22 H 1 6.864 0.02 . 2 . . . . 110 GLN HE22 . 17905 1 185 . 1 1 20 20 GLN C C 13 178.731 0.2 . 1 . . . . 110 GLN C . 17905 1 186 . 1 1 20 20 GLN CA C 13 58.894 0.2 . 1 . . . . 110 GLN CA . 17905 1 187 . 1 1 20 20 GLN CB C 13 28.834 0.2 . 1 . . . . 110 GLN CB . 17905 1 188 . 1 1 20 20 GLN CG C 13 33.886 0.2 . 1 . . . . 110 GLN CG . 17905 1 189 . 1 1 20 20 GLN CD C 13 180.078 0.2 . 1 . . . . 110 GLN CD . 17905 1 190 . 1 1 20 20 GLN N N 15 119.360 0.2 . 1 . . . . 110 GLN N . 17905 1 191 . 1 1 20 20 GLN NE2 N 15 112.839 0.2 . 1 . . . . 110 GLN NE2 . 17905 1 192 . 1 1 21 21 LYS H H 1 8.470 0.02 . 1 . . . . 111 LYS H . 17905 1 193 . 1 1 21 21 LYS HA H 1 3.851 0.02 . 1 . . . . 111 LYS HA . 17905 1 194 . 1 1 21 21 LYS HB2 H 1 1.496 0.02 . 2 . . . . 111 LYS HB2 . 17905 1 195 . 1 1 21 21 LYS HB3 H 1 1.003 0.02 . 2 . . . . 111 LYS HB3 . 17905 1 196 . 1 1 21 21 LYS HG2 H 1 1.086 0.02 . 2 . . . . 111 LYS HG2 . 17905 1 197 . 1 1 21 21 LYS HG3 H 1 0.637 0.02 . 2 . . . . 111 LYS HG3 . 17905 1 198 . 1 1 21 21 LYS HD2 H 1 1.375 0.02 . 2 . . . . 111 LYS HD2 . 17905 1 199 . 1 1 21 21 LYS HE2 H 1 2.854 0.02 . 2 . . . . 111 LYS HE2 . 17905 1 200 . 1 1 21 21 LYS C C 13 178.131 0.2 . 1 . . . . 111 LYS C . 17905 1 201 . 1 1 21 21 LYS CA C 13 58.995 0.2 . 1 . . . . 111 LYS CA . 17905 1 202 . 1 1 21 21 LYS CB C 13 33.184 0.2 . 1 . . . . 111 LYS CB . 17905 1 203 . 1 1 21 21 LYS CG C 13 25.492 0.2 . 1 . . . . 111 LYS CG . 17905 1 204 . 1 1 21 21 LYS CD C 13 29.380 0.2 . 1 . . . . 111 LYS CD . 17905 1 205 . 1 1 21 21 LYS CE C 13 41.983 0.2 . 1 . . . . 111 LYS CE . 17905 1 206 . 1 1 21 21 LYS N N 15 119.476 0.2 . 1 . . . . 111 LYS N . 17905 1 207 . 1 1 22 22 TYR H H 1 7.642 0.02 . 1 . . . . 112 TYR H . 17905 1 208 . 1 1 22 22 TYR HA H 1 4.804 0.02 . 1 . . . . 112 TYR HA . 17905 1 209 . 1 1 22 22 TYR HB2 H 1 3.201 0.02 . 2 . . . . 112 TYR HB2 . 17905 1 210 . 1 1 22 22 TYR HB3 H 1 2.196 0.02 . 2 . . . . 112 TYR HB3 . 17905 1 211 . 1 1 22 22 TYR HD1 H 1 6.418 0.02 . 3 . . . . 112 TYR HD1 . 17905 1 212 . 1 1 22 22 TYR HE1 H 1 6.418 0.02 . 3 . . . . 112 TYR HE1 . 17905 1 213 . 1 1 22 22 TYR C C 13 175.551 0.2 . 1 . . . . 112 TYR C . 17905 1 214 . 1 1 22 22 TYR CA C 13 59.061 0.2 . 1 . . . . 112 TYR CA . 17905 1 215 . 1 1 22 22 TYR CB C 13 38.076 0.2 . 1 . . . . 112 TYR CB . 17905 1 216 . 1 1 22 22 TYR CD1 C 13 132.892 0.2 . 3 . . . . 112 TYR CD1 . 17905 1 217 . 1 1 22 22 TYR CE1 C 13 117.365 0.2 . 3 . . . . 112 TYR CE1 . 17905 1 218 . 1 1 22 22 TYR N N 15 111.826 0.2 . 1 . . . . 112 TYR N . 17905 1 219 . 1 1 23 23 SER H H 1 7.621 0.02 . 1 . . . . 113 SER H . 17905 1 220 . 1 1 23 23 SER HA H 1 4.234 0.02 . 1 . . . . 113 SER HA . 17905 1 221 . 1 1 23 23 SER HB2 H 1 4.165 0.02 . 2 . . . . 113 SER HB2 . 17905 1 222 . 1 1 23 23 SER HB3 H 1 4.078 0.02 . 2 . . . . 113 SER HB3 . 17905 1 223 . 1 1 23 23 SER CA C 13 62.856 0.2 . 1 . . . . 113 SER CA . 17905 1 224 . 1 1 23 23 SER CB C 13 63.645 0.2 . 1 . . . . 113 SER CB . 17905 1 225 . 1 1 23 23 SER N N 15 116.302 0.2 . 1 . . . . 113 SER N . 17905 1 226 . 1 1 24 24 HIS HA H 1 4.498 0.02 . 1 . . . . 114 HIS HA . 17905 1 227 . 1 1 24 24 HIS HB2 H 1 3.252 0.02 . 2 . . . . 114 HIS HB2 . 17905 1 228 . 1 1 24 24 HIS HB3 H 1 2.960 0.02 . 2 . . . . 114 HIS HB3 . 17905 1 229 . 1 1 24 24 HIS HD2 H 1 6.998 0.02 . 1 . . . . 114 HIS HD2 . 17905 1 230 . 1 1 24 24 HIS C C 13 175.822 0.2 . 1 . . . . 114 HIS C . 17905 1 231 . 1 1 24 24 HIS CA C 13 57.337 0.2 . 1 . . . . 114 HIS CA . 17905 1 232 . 1 1 24 24 HIS CB C 13 29.918 0.2 . 1 . . . . 114 HIS CB . 17905 1 233 . 1 1 25 25 LEU H H 1 6.915 0.02 . 1 . . . . 115 LEU H . 17905 1 234 . 1 1 25 25 LEU HA H 1 3.986 0.02 . 1 . . . . 115 LEU HA . 17905 1 235 . 1 1 25 25 LEU HB2 H 1 1.652 0.02 . 2 . . . . 115 LEU HB2 . 17905 1 236 . 1 1 25 25 LEU HB3 H 1 1.401 0.02 . 2 . . . . 115 LEU HB3 . 17905 1 237 . 1 1 25 25 LEU HG H 1 1.967 0.02 . 1 . . . . 115 LEU HG . 17905 1 238 . 1 1 25 25 LEU HD11 H 1 0.851 0.02 . 2 . . . . 115 LEU HD1 . 17905 1 239 . 1 1 25 25 LEU HD12 H 1 0.851 0.02 . 2 . . . . 115 LEU HD1 . 17905 1 240 . 1 1 25 25 LEU HD13 H 1 0.851 0.02 . 2 . . . . 115 LEU HD1 . 17905 1 241 . 1 1 25 25 LEU HD21 H 1 0.718 0.02 . 2 . . . . 115 LEU HD2 . 17905 1 242 . 1 1 25 25 LEU HD22 H 1 0.718 0.02 . 2 . . . . 115 LEU HD2 . 17905 1 243 . 1 1 25 25 LEU HD23 H 1 0.718 0.02 . 2 . . . . 115 LEU HD2 . 17905 1 244 . 1 1 25 25 LEU C C 13 176.428 0.2 . 1 . . . . 115 LEU C . 17905 1 245 . 1 1 25 25 LEU CA C 13 55.533 0.2 . 1 . . . . 115 LEU CA . 17905 1 246 . 1 1 25 25 LEU CB C 13 42.082 0.2 . 1 . . . . 115 LEU CB . 17905 1 247 . 1 1 25 25 LEU CG C 13 27.322 0.2 . 1 . . . . 115 LEU CG . 17905 1 248 . 1 1 25 25 LEU CD1 C 13 22.379 0.2 . 2 . . . . 115 LEU CD1 . 17905 1 249 . 1 1 25 25 LEU CD2 C 13 24.502 0.2 . 2 . . . . 115 LEU CD2 . 17905 1 250 . 1 1 25 25 LEU N N 15 121.245 0.2 . 1 . . . . 115 LEU N . 17905 1 251 . 1 1 26 26 GLN H H 1 9.169 0.02 . 1 . . . . 116 GLN H . 17905 1 252 . 1 1 26 26 GLN HA H 1 4.614 0.02 . 1 . . . . 116 GLN HA . 17905 1 253 . 1 1 26 26 GLN HB2 H 1 2.078 0.02 . 2 . . . . 116 GLN HB2 . 17905 1 254 . 1 1 26 26 GLN HB3 H 1 1.935 0.02 . 2 . . . . 116 GLN HB3 . 17905 1 255 . 1 1 26 26 GLN HG2 H 1 2.533 0.02 . 2 . . . . 116 GLN HG2 . 17905 1 256 . 1 1 26 26 GLN HG3 H 1 2.463 0.02 . 2 . . . . 116 GLN HG3 . 17905 1 257 . 1 1 26 26 GLN HE21 H 1 7.595 0.02 . 2 . . . . 116 GLN HE21 . 17905 1 258 . 1 1 26 26 GLN HE22 H 1 6.885 0.02 . 2 . . . . 116 GLN HE22 . 17905 1 259 . 1 1 26 26 GLN CA C 13 53.265 0.2 . 1 . . . . 116 GLN CA . 17905 1 260 . 1 1 26 26 GLN CB C 13 28.030 0.2 . 1 . . . . 116 GLN CB . 17905 1 261 . 1 1 26 26 GLN CG C 13 33.887 0.2 . 1 . . . . 116 GLN CG . 17905 1 262 . 1 1 26 26 GLN CD C 13 180.714 0.2 . 1 . . . . 116 GLN CD . 17905 1 263 . 1 1 26 26 GLN N N 15 122.261 0.2 . 1 . . . . 116 GLN N . 17905 1 264 . 1 1 26 26 GLN NE2 N 15 114.346 0.2 . 1 . . . . 116 GLN NE2 . 17905 1 265 . 1 1 27 27 PRO HA H 1 3.868 0.02 . 1 . . . . 117 PRO HA . 17905 1 266 . 1 1 27 27 PRO HB2 H 1 2.308 0.02 . 2 . . . . 117 PRO HB2 . 17905 1 267 . 1 1 27 27 PRO HB3 H 1 1.909 0.02 . 2 . . . . 117 PRO HB3 . 17905 1 268 . 1 1 27 27 PRO HG2 H 1 2.250 0.02 . 2 . . . . 117 PRO HG2 . 17905 1 269 . 1 1 27 27 PRO HG3 H 1 1.807 0.02 . 2 . . . . 117 PRO HG3 . 17905 1 270 . 1 1 27 27 PRO HD2 H 1 3.655 0.02 . 2 . . . . 117 PRO HD2 . 17905 1 271 . 1 1 27 27 PRO C C 13 177.272 0.2 . 1 . . . . 117 PRO C . 17905 1 272 . 1 1 27 27 PRO CA C 13 64.888 0.2 . 1 . . . . 117 PRO CA . 17905 1 273 . 1 1 27 27 PRO CB C 13 31.707 0.2 . 1 . . . . 117 PRO CB . 17905 1 274 . 1 1 27 27 PRO CG C 13 28.428 0.2 . 1 . . . . 117 PRO CG . 17905 1 275 . 1 1 27 27 PRO CD C 13 50.545 0.2 . 1 . . . . 117 PRO CD . 17905 1 276 . 1 1 28 28 GLY H H 1 7.357 0.02 . 1 . . . . 118 GLY H . 17905 1 277 . 1 1 28 28 GLY HA2 H 1 4.351 0.02 . 2 . . . . 118 GLY HA2 . 17905 1 278 . 1 1 28 28 GLY HA3 H 1 3.602 0.02 . 2 . . . . 118 GLY HA3 . 17905 1 279 . 1 1 28 28 GLY C C 13 174.226 0.2 . 1 . . . . 118 GLY C . 17905 1 280 . 1 1 28 28 GLY CA C 13 45.217 0.2 . 1 . . . . 118 GLY CA . 17905 1 281 . 1 1 28 28 GLY N N 15 115.091 0.2 . 1 . . . . 118 GLY N . 17905 1 282 . 1 1 29 29 ASP H H 1 8.116 0.02 . 1 . . . . 119 ASP H . 17905 1 283 . 1 1 29 29 ASP HA H 1 4.612 0.02 . 1 . . . . 119 ASP HA . 17905 1 284 . 1 1 29 29 ASP HB2 H 1 2.860 0.02 . 2 . . . . 119 ASP HB2 . 17905 1 285 . 1 1 29 29 ASP HB3 H 1 2.446 0.02 . 2 . . . . 119 ASP HB3 . 17905 1 286 . 1 1 29 29 ASP C C 13 176.421 0.2 . 1 . . . . 119 ASP C . 17905 1 287 . 1 1 29 29 ASP CA C 13 55.556 0.2 . 1 . . . . 119 ASP CA . 17905 1 288 . 1 1 29 29 ASP CB C 13 42.454 0.2 . 1 . . . . 119 ASP CB . 17905 1 289 . 1 1 29 29 ASP N N 15 122.442 0.2 . 1 . . . . 119 ASP N . 17905 1 290 . 1 1 30 30 HIS H H 1 8.756 0.02 . 1 . . . . 120 HIS H . 17905 1 291 . 1 1 30 30 HIS HA H 1 4.926 0.02 . 1 . . . . 120 HIS HA . 17905 1 292 . 1 1 30 30 HIS HB2 H 1 3.125 0.02 . 2 . . . . 120 HIS HB2 . 17905 1 293 . 1 1 30 30 HIS HB3 H 1 2.971 0.02 . 2 . . . . 120 HIS HB3 . 17905 1 294 . 1 1 30 30 HIS HD2 H 1 6.484 0.02 . 1 . . . . 120 HIS HD2 . 17905 1 295 . 1 1 30 30 HIS C C 13 174.394 0.2 . 1 . . . . 120 HIS C . 17905 1 296 . 1 1 30 30 HIS CA C 13 54.618 0.2 . 1 . . . . 120 HIS CA . 17905 1 297 . 1 1 30 30 HIS CB C 13 33.455 0.2 . 1 . . . . 120 HIS CB . 17905 1 298 . 1 1 30 30 HIS CD2 C 13 114.318 0.2 . 1 . . . . 120 HIS CD2 . 17905 1 299 . 1 1 30 30 HIS N N 15 120.662 0.2 . 1 . . . . 120 HIS N . 17905 1 300 . 1 1 31 31 LEU H H 1 8.720 0.02 . 1 . . . . 121 LEU H . 17905 1 301 . 1 1 31 31 LEU HA H 1 4.781 0.02 . 1 . . . . 121 LEU HA . 17905 1 302 . 1 1 31 31 LEU HB2 H 1 1.838 0.02 . 2 . . . . 121 LEU HB2 . 17905 1 303 . 1 1 31 31 LEU HB3 H 1 1.628 0.02 . 2 . . . . 121 LEU HB3 . 17905 1 304 . 1 1 31 31 LEU HG H 1 1.599 0.02 . 1 . . . . 121 LEU HG . 17905 1 305 . 1 1 31 31 LEU HD11 H 1 1.030 0.02 . 2 . . . . 121 LEU HD1 . 17905 1 306 . 1 1 31 31 LEU HD12 H 1 1.030 0.02 . 2 . . . . 121 LEU HD1 . 17905 1 307 . 1 1 31 31 LEU HD13 H 1 1.030 0.02 . 2 . . . . 121 LEU HD1 . 17905 1 308 . 1 1 31 31 LEU HD21 H 1 0.951 0.02 . 2 . . . . 121 LEU HD2 . 17905 1 309 . 1 1 31 31 LEU HD22 H 1 0.951 0.02 . 2 . . . . 121 LEU HD2 . 17905 1 310 . 1 1 31 31 LEU HD23 H 1 0.951 0.02 . 2 . . . . 121 LEU HD2 . 17905 1 311 . 1 1 31 31 LEU C C 13 176.133 0.2 . 1 . . . . 121 LEU C . 17905 1 312 . 1 1 31 31 LEU CA C 13 53.657 0.2 . 1 . . . . 121 LEU CA . 17905 1 313 . 1 1 31 31 LEU CB C 13 39.207 0.2 . 1 . . . . 121 LEU CB . 17905 1 314 . 1 1 31 31 LEU CG C 13 27.003 0.2 . 1 . . . . 121 LEU CG . 17905 1 315 . 1 1 31 31 LEU CD1 C 13 26.558 0.2 . 2 . . . . 121 LEU CD1 . 17905 1 316 . 1 1 31 31 LEU CD2 C 13 22.884 0.2 . 2 . . . . 121 LEU CD2 . 17905 1 317 . 1 1 31 31 LEU N N 15 128.370 0.2 . 1 . . . . 121 LEU N . 17905 1 318 . 1 1 32 32 THR H H 1 7.489 0.02 . 1 . . . . 122 THR H . 17905 1 319 . 1 1 32 32 THR HA H 1 3.513 0.02 . 1 . . . . 122 THR HA . 17905 1 320 . 1 1 32 32 THR HB H 1 4.139 0.02 . 1 . . . . 122 THR HB . 17905 1 321 . 1 1 32 32 THR HG21 H 1 0.527 0.02 . 1 . . . . 122 THR HG2 . 17905 1 322 . 1 1 32 32 THR HG22 H 1 0.527 0.02 . 1 . . . . 122 THR HG2 . 17905 1 323 . 1 1 32 32 THR HG23 H 1 0.527 0.02 . 1 . . . . 122 THR HG2 . 17905 1 324 . 1 1 32 32 THR C C 13 174.918 0.2 . 1 . . . . 122 THR C . 17905 1 325 . 1 1 32 32 THR CA C 13 63.699 0.2 . 1 . . . . 122 THR CA . 17905 1 326 . 1 1 32 32 THR CB C 13 68.448 0.2 . 1 . . . . 122 THR CB . 17905 1 327 . 1 1 32 32 THR CG2 C 13 20.749 0.2 . 1 . . . . 122 THR CG2 . 17905 1 328 . 1 1 32 32 THR N N 15 114.489 0.2 . 1 . . . . 122 THR N . 17905 1 329 . 1 1 33 33 ASP H H 1 8.829 0.02 . 1 . . . . 123 ASP H . 17905 1 330 . 1 1 33 33 ASP HA H 1 4.549 0.02 . 1 . . . . 123 ASP HA . 17905 1 331 . 1 1 33 33 ASP HB2 H 1 2.706 0.02 . 2 . . . . 123 ASP HB2 . 17905 1 332 . 1 1 33 33 ASP HB3 H 1 2.666 0.02 . 2 . . . . 123 ASP HB3 . 17905 1 333 . 1 1 33 33 ASP C C 13 175.188 0.2 . 1 . . . . 123 ASP C . 17905 1 334 . 1 1 33 33 ASP CA C 13 53.906 0.2 . 1 . . . . 123 ASP CA . 17905 1 335 . 1 1 33 33 ASP CB C 13 40.273 0.2 . 1 . . . . 123 ASP CB . 17905 1 336 . 1 1 33 33 ASP N N 15 118.243 0.2 . 1 . . . . 123 ASP N . 17905 1 337 . 1 1 34 34 ILE H H 1 7.309 0.02 . 1 . . . . 124 ILE H . 17905 1 338 . 1 1 34 34 ILE HA H 1 4.423 0.02 . 1 . . . . 124 ILE HA . 17905 1 339 . 1 1 34 34 ILE HB H 1 1.867 0.02 . 1 . . . . 124 ILE HB . 17905 1 340 . 1 1 34 34 ILE HG12 H 1 1.443 0.02 . 2 . . . . 124 ILE HG12 . 17905 1 341 . 1 1 34 34 ILE HG13 H 1 1.337 0.02 . 2 . . . . 124 ILE HG13 . 17905 1 342 . 1 1 34 34 ILE HG21 H 1 0.875 0.02 . 1 . . . . 124 ILE HG2 . 17905 1 343 . 1 1 34 34 ILE HG22 H 1 0.875 0.02 . 1 . . . . 124 ILE HG2 . 17905 1 344 . 1 1 34 34 ILE HG23 H 1 0.875 0.02 . 1 . . . . 124 ILE HG2 . 17905 1 345 . 1 1 34 34 ILE HD11 H 1 0.896 0.02 . 1 . . . . 124 ILE HD1 . 17905 1 346 . 1 1 34 34 ILE HD12 H 1 0.896 0.02 . 1 . . . . 124 ILE HD1 . 17905 1 347 . 1 1 34 34 ILE HD13 H 1 0.896 0.02 . 1 . . . . 124 ILE HD1 . 17905 1 348 . 1 1 34 34 ILE C C 13 174.630 0.2 . 1 . . . . 124 ILE C . 17905 1 349 . 1 1 34 34 ILE CA C 13 59.253 0.2 . 1 . . . . 124 ILE CA . 17905 1 350 . 1 1 34 34 ILE CB C 13 38.915 0.2 . 1 . . . . 124 ILE CB . 17905 1 351 . 1 1 34 34 ILE CG1 C 13 26.864 0.2 . 1 . . . . 124 ILE CG1 . 17905 1 352 . 1 1 34 34 ILE CG2 C 13 16.901 0.2 . 1 . . . . 124 ILE CG2 . 17905 1 353 . 1 1 34 34 ILE CD1 C 13 11.723 0.2 . 1 . . . . 124 ILE CD1 . 17905 1 354 . 1 1 34 34 ILE N N 15 121.877 0.2 . 1 . . . . 124 ILE N . 17905 1 355 . 1 1 35 35 THR H H 1 8.537 0.02 . 1 . . . . 125 THR H . 17905 1 356 . 1 1 35 35 THR HA H 1 4.696 0.02 . 1 . . . . 125 THR HA . 17905 1 357 . 1 1 35 35 THR HB H 1 3.837 0.02 . 1 . . . . 125 THR HB . 17905 1 358 . 1 1 35 35 THR HG21 H 1 1.090 0.02 . 1 . . . . 125 THR HG2 . 17905 1 359 . 1 1 35 35 THR HG22 H 1 1.090 0.02 . 1 . . . . 125 THR HG2 . 17905 1 360 . 1 1 35 35 THR HG23 H 1 1.090 0.02 . 1 . . . . 125 THR HG2 . 17905 1 361 . 1 1 35 35 THR C C 13 173.461 0.2 . 1 . . . . 125 THR C . 17905 1 362 . 1 1 35 35 THR CA C 13 61.579 0.2 . 1 . . . . 125 THR CA . 17905 1 363 . 1 1 35 35 THR CB C 13 69.917 0.2 . 1 . . . . 125 THR CB . 17905 1 364 . 1 1 35 35 THR CG2 C 13 22.017 0.2 . 1 . . . . 125 THR CG2 . 17905 1 365 . 1 1 35 35 THR N N 15 125.071 0.2 . 1 . . . . 125 THR N . 17905 1 366 . 1 1 36 36 LEU H H 1 9.331 0.02 . 1 . . . . 126 LEU H . 17905 1 367 . 1 1 36 36 LEU HA H 1 5.048 0.02 . 1 . . . . 126 LEU HA . 17905 1 368 . 1 1 36 36 LEU HB2 H 1 1.736 0.02 . 2 . . . . 126 LEU HB2 . 17905 1 369 . 1 1 36 36 LEU HB3 H 1 1.657 0.02 . 2 . . . . 126 LEU HB3 . 17905 1 370 . 1 1 36 36 LEU HG H 1 1.665 0.02 . 1 . . . . 126 LEU HG . 17905 1 371 . 1 1 36 36 LEU HD11 H 1 1.062 0.02 . 2 . . . . 126 LEU HD1 . 17905 1 372 . 1 1 36 36 LEU HD12 H 1 1.062 0.02 . 2 . . . . 126 LEU HD1 . 17905 1 373 . 1 1 36 36 LEU HD13 H 1 1.062 0.02 . 2 . . . . 126 LEU HD1 . 17905 1 374 . 1 1 36 36 LEU HD21 H 1 1.051 0.02 . 2 . . . . 126 LEU HD2 . 17905 1 375 . 1 1 36 36 LEU HD22 H 1 1.051 0.02 . 2 . . . . 126 LEU HD2 . 17905 1 376 . 1 1 36 36 LEU HD23 H 1 1.051 0.02 . 2 . . . . 126 LEU HD2 . 17905 1 377 . 1 1 36 36 LEU C C 13 175.599 0.2 . 1 . . . . 126 LEU C . 17905 1 378 . 1 1 36 36 LEU CA C 13 53.499 0.2 . 1 . . . . 126 LEU CA . 17905 1 379 . 1 1 36 36 LEU CB C 13 47.679 0.2 . 1 . . . . 126 LEU CB . 17905 1 380 . 1 1 36 36 LEU CG C 13 27.145 0.2 . 1 . . . . 126 LEU CG . 17905 1 381 . 1 1 36 36 LEU CD1 C 13 24.341 0.2 . 2 . . . . 126 LEU CD1 . 17905 1 382 . 1 1 36 36 LEU CD2 C 13 27.148 0.2 . 2 . . . . 126 LEU CD2 . 17905 1 383 . 1 1 36 36 LEU N N 15 128.793 0.2 . 1 . . . . 126 LEU N . 17905 1 384 . 1 1 37 37 LYS H H 1 9.548 0.02 . 1 . . . . 127 LYS H . 17905 1 385 . 1 1 37 37 LYS HA H 1 5.920 0.02 . 1 . . . . 127 LYS HA . 17905 1 386 . 1 1 37 37 LYS HB2 H 1 1.759 0.02 . 2 . . . . 127 LYS HB2 . 17905 1 387 . 1 1 37 37 LYS HB3 H 1 1.693 0.02 . 2 . . . . 127 LYS HB3 . 17905 1 388 . 1 1 37 37 LYS HG2 H 1 1.565 0.02 . 2 . . . . 127 LYS HG2 . 17905 1 389 . 1 1 37 37 LYS HG3 H 1 1.280 0.02 . 2 . . . . 127 LYS HG3 . 17905 1 390 . 1 1 37 37 LYS HD2 H 1 1.426 0.02 . 2 . . . . 127 LYS HD2 . 17905 1 391 . 1 1 37 37 LYS HD3 H 1 1.267 0.02 . 2 . . . . 127 LYS HD3 . 17905 1 392 . 1 1 37 37 LYS HE2 H 1 2.788 0.02 . 2 . . . . 127 LYS HE2 . 17905 1 393 . 1 1 37 37 LYS C C 13 177.039 0.2 . 1 . . . . 127 LYS C . 17905 1 394 . 1 1 37 37 LYS CA C 13 55.413 0.2 . 1 . . . . 127 LYS CA . 17905 1 395 . 1 1 37 37 LYS CB C 13 34.557 0.2 . 1 . . . . 127 LYS CB . 17905 1 396 . 1 1 37 37 LYS CG C 13 25.725 0.2 . 1 . . . . 127 LYS CG . 17905 1 397 . 1 1 37 37 LYS CD C 13 28.805 0.2 . 1 . . . . 127 LYS CD . 17905 1 398 . 1 1 37 37 LYS CE C 13 41.652 0.2 . 1 . . . . 127 LYS CE . 17905 1 399 . 1 1 37 37 LYS N N 15 121.108 0.2 . 1 . . . . 127 LYS N . 17905 1 400 . 1 1 38 38 VAL H H 1 8.766 0.02 . 1 . . . . 128 VAL H . 17905 1 401 . 1 1 38 38 VAL HA H 1 5.080 0.02 . 1 . . . . 128 VAL HA . 17905 1 402 . 1 1 38 38 VAL HB H 1 2.201 0.02 . 1 . . . . 128 VAL HB . 17905 1 403 . 1 1 38 38 VAL HG11 H 1 0.687 0.02 . 2 . . . . 128 VAL HG1 . 17905 1 404 . 1 1 38 38 VAL HG12 H 1 0.687 0.02 . 2 . . . . 128 VAL HG1 . 17905 1 405 . 1 1 38 38 VAL HG13 H 1 0.687 0.02 . 2 . . . . 128 VAL HG1 . 17905 1 406 . 1 1 38 38 VAL HG21 H 1 0.347 0.02 . 2 . . . . 128 VAL HG2 . 17905 1 407 . 1 1 38 38 VAL HG22 H 1 0.347 0.02 . 2 . . . . 128 VAL HG2 . 17905 1 408 . 1 1 38 38 VAL HG23 H 1 0.347 0.02 . 2 . . . . 128 VAL HG2 . 17905 1 409 . 1 1 38 38 VAL C C 13 174.047 0.2 . 1 . . . . 128 VAL C . 17905 1 410 . 1 1 38 38 VAL CA C 13 58.785 0.2 . 1 . . . . 128 VAL CA . 17905 1 411 . 1 1 38 38 VAL CB C 13 35.444 0.2 . 1 . . . . 128 VAL CB . 17905 1 412 . 1 1 38 38 VAL CG1 C 13 21.248 0.2 . 2 . . . . 128 VAL CG1 . 17905 1 413 . 1 1 38 38 VAL CG2 C 13 18.097 0.2 . 2 . . . . 128 VAL CG2 . 17905 1 414 . 1 1 38 38 VAL N N 15 114.550 0.2 . 1 . . . . 128 VAL N . 17905 1 415 . 1 1 39 39 ALA H H 1 8.671 0.02 . 1 . . . . 129 ALA H . 17905 1 416 . 1 1 39 39 ALA HA H 1 5.455 0.02 . 1 . . . . 129 ALA HA . 17905 1 417 . 1 1 39 39 ALA HB1 H 1 1.163 0.02 . 1 . . . . 129 ALA HB . 17905 1 418 . 1 1 39 39 ALA HB2 H 1 1.163 0.02 . 1 . . . . 129 ALA HB . 17905 1 419 . 1 1 39 39 ALA HB3 H 1 1.163 0.02 . 1 . . . . 129 ALA HB . 17905 1 420 . 1 1 39 39 ALA C C 13 175.921 0.2 . 1 . . . . 129 ALA C . 17905 1 421 . 1 1 39 39 ALA CA C 13 51.425 0.2 . 1 . . . . 129 ALA CA . 17905 1 422 . 1 1 39 39 ALA CB C 13 23.164 0.2 . 1 . . . . 129 ALA CB . 17905 1 423 . 1 1 39 39 ALA N N 15 121.358 0.2 . 1 . . . . 129 ALA N . 17905 1 424 . 1 1 40 40 GLY H H 1 8.238 0.02 . 1 . . . . 130 GLY H . 17905 1 425 . 1 1 40 40 GLY HA2 H 1 4.069 0.02 . 2 . . . . 130 GLY HA2 . 17905 1 426 . 1 1 40 40 GLY HA3 H 1 3.687 0.02 . 2 . . . . 130 GLY HA3 . 17905 1 427 . 1 1 40 40 GLY C C 13 169.560 0.2 . 1 . . . . 130 GLY C . 17905 1 428 . 1 1 40 40 GLY CA C 13 45.516 0.2 . 1 . . . . 130 GLY CA . 17905 1 429 . 1 1 40 40 GLY N N 15 103.128 0.2 . 1 . . . . 130 GLY N . 17905 1 430 . 1 1 41 41 ARG H H 1 8.754 0.02 . 1 . . . . 131 ARG H . 17905 1 431 . 1 1 41 41 ARG HA H 1 5.143 0.02 . 1 . . . . 131 ARG HA . 17905 1 432 . 1 1 41 41 ARG HB2 H 1 1.842 0.02 . 2 . . . . 131 ARG HB2 . 17905 1 433 . 1 1 41 41 ARG HB3 H 1 1.670 0.02 . 2 . . . . 131 ARG HB3 . 17905 1 434 . 1 1 41 41 ARG HG2 H 1 1.369 0.02 . 2 . . . . 131 ARG HG2 . 17905 1 435 . 1 1 41 41 ARG HD2 H 1 3.200 0.02 . 2 . . . . 131 ARG HD2 . 17905 1 436 . 1 1 41 41 ARG C C 13 177.087 0.2 . 1 . . . . 131 ARG C . 17905 1 437 . 1 1 41 41 ARG CA C 13 54.248 0.2 . 1 . . . . 131 ARG CA . 17905 1 438 . 1 1 41 41 ARG CB C 13 33.534 0.2 . 1 . . . . 131 ARG CB . 17905 1 439 . 1 1 41 41 ARG CG C 13 27.570 0.2 . 1 . . . . 131 ARG CG . 17905 1 440 . 1 1 41 41 ARG CD C 13 43.621 0.2 . 1 . . . . 131 ARG CD . 17905 1 441 . 1 1 41 41 ARG N N 15 120.222 0.2 . 1 . . . . 131 ARG N . 17905 1 442 . 1 1 42 42 ILE H H 1 9.322 0.02 . 1 . . . . 132 ILE H . 17905 1 443 . 1 1 42 42 ILE HA H 1 4.067 0.02 . 1 . . . . 132 ILE HA . 17905 1 444 . 1 1 42 42 ILE HB H 1 2.073 0.02 . 1 . . . . 132 ILE HB . 17905 1 445 . 1 1 42 42 ILE HG12 H 1 1.268 0.02 . 2 . . . . 132 ILE HG12 . 17905 1 446 . 1 1 42 42 ILE HG21 H 1 0.869 0.02 . 1 . . . . 132 ILE HG2 . 17905 1 447 . 1 1 42 42 ILE HG22 H 1 0.869 0.02 . 1 . . . . 132 ILE HG2 . 17905 1 448 . 1 1 42 42 ILE HG23 H 1 0.869 0.02 . 1 . . . . 132 ILE HG2 . 17905 1 449 . 1 1 42 42 ILE HD11 H 1 0.667 0.02 . 1 . . . . 132 ILE HD1 . 17905 1 450 . 1 1 42 42 ILE HD12 H 1 0.667 0.02 . 1 . . . . 132 ILE HD1 . 17905 1 451 . 1 1 42 42 ILE HD13 H 1 0.667 0.02 . 1 . . . . 132 ILE HD1 . 17905 1 452 . 1 1 42 42 ILE C C 13 176.338 0.2 . 1 . . . . 132 ILE C . 17905 1 453 . 1 1 42 42 ILE CA C 13 63.573 0.2 . 1 . . . . 132 ILE CA . 17905 1 454 . 1 1 42 42 ILE CB C 13 38.234 0.2 . 1 . . . . 132 ILE CB . 17905 1 455 . 1 1 42 42 ILE CG1 C 13 27.416 0.2 . 1 . . . . 132 ILE CG1 . 17905 1 456 . 1 1 42 42 ILE CG2 C 13 18.747 0.2 . 1 . . . . 132 ILE CG2 . 17905 1 457 . 1 1 42 42 ILE CD1 C 13 14.865 0.2 . 1 . . . . 132 ILE CD1 . 17905 1 458 . 1 1 42 42 ILE N N 15 125.819 0.2 . 1 . . . . 132 ILE N . 17905 1 459 . 1 1 43 43 HIS H H 1 10.148 0.02 . 1 . . . . 133 HIS H . 17905 1 460 . 1 1 43 43 HIS HA H 1 4.637 0.02 . 1 . . . . 133 HIS HA . 17905 1 461 . 1 1 43 43 HIS HB2 H 1 3.040 0.02 . 2 . . . . 133 HIS HB2 . 17905 1 462 . 1 1 43 43 HIS HB3 H 1 2.888 0.02 . 2 . . . . 133 HIS HB3 . 17905 1 463 . 1 1 43 43 HIS HD2 H 1 6.916 0.02 . 1 . . . . 133 HIS HD2 . 17905 1 464 . 1 1 43 43 HIS C C 13 174.705 0.2 . 1 . . . . 133 HIS C . 17905 1 465 . 1 1 43 43 HIS CA C 13 57.904 0.2 . 1 . . . . 133 HIS CA . 17905 1 466 . 1 1 43 43 HIS CB C 13 33.314 0.2 . 1 . . . . 133 HIS CB . 17905 1 467 . 1 1 43 43 HIS CD2 C 13 119.660 0.2 . 1 . . . . 133 HIS CD2 . 17905 1 468 . 1 1 43 43 HIS N N 15 133.203 0.2 . 1 . . . . 133 HIS N . 17905 1 469 . 1 1 44 44 ALA H H 1 7.636 0.02 . 1 . . . . 134 ALA H . 17905 1 470 . 1 1 44 44 ALA HA H 1 4.468 0.02 . 1 . . . . 134 ALA HA . 17905 1 471 . 1 1 44 44 ALA HB1 H 1 1.486 0.02 . 1 . . . . 134 ALA HB . 17905 1 472 . 1 1 44 44 ALA HB2 H 1 1.486 0.02 . 1 . . . . 134 ALA HB . 17905 1 473 . 1 1 44 44 ALA HB3 H 1 1.486 0.02 . 1 . . . . 134 ALA HB . 17905 1 474 . 1 1 44 44 ALA C C 13 174.098 0.2 . 1 . . . . 134 ALA C . 17905 1 475 . 1 1 44 44 ALA CA C 13 51.864 0.2 . 1 . . . . 134 ALA CA . 17905 1 476 . 1 1 44 44 ALA CB C 13 23.013 0.2 . 1 . . . . 134 ALA CB . 17905 1 477 . 1 1 44 44 ALA N N 15 117.891 0.2 . 1 . . . . 134 ALA N . 17905 1 478 . 1 1 45 45 LYS H H 1 8.727 0.02 . 1 . . . . 135 LYS H . 17905 1 479 . 1 1 45 45 LYS HA H 1 4.782 0.02 . 1 . . . . 135 LYS HA . 17905 1 480 . 1 1 45 45 LYS HB2 H 1 1.340 0.02 . 2 . . . . 135 LYS HB2 . 17905 1 481 . 1 1 45 45 LYS HG2 H 1 0.897 0.02 . 2 . . . . 135 LYS HG2 . 17905 1 482 . 1 1 45 45 LYS HG3 H 1 0.845 0.02 . 2 . . . . 135 LYS HG3 . 17905 1 483 . 1 1 45 45 LYS HD2 H 1 1.701 0.02 . 2 . . . . 135 LYS HD2 . 17905 1 484 . 1 1 45 45 LYS HD3 H 1 1.484 0.02 . 2 . . . . 135 LYS HD3 . 17905 1 485 . 1 1 45 45 LYS HE2 H 1 3.166 0.02 . 2 . . . . 135 LYS HE2 . 17905 1 486 . 1 1 45 45 LYS HE3 H 1 2.811 0.02 . 2 . . . . 135 LYS HE3 . 17905 1 487 . 1 1 45 45 LYS C C 13 174.397 0.2 . 1 . . . . 135 LYS C . 17905 1 488 . 1 1 45 45 LYS CA C 13 55.021 0.2 . 1 . . . . 135 LYS CA . 17905 1 489 . 1 1 45 45 LYS CB C 13 37.100 0.2 . 1 . . . . 135 LYS CB . 17905 1 490 . 1 1 45 45 LYS CG C 13 24.445 0.2 . 1 . . . . 135 LYS CG . 17905 1 491 . 1 1 45 45 LYS CD C 13 30.747 0.2 . 1 . . . . 135 LYS CD . 17905 1 492 . 1 1 45 45 LYS CE C 13 41.776 0.2 . 1 . . . . 135 LYS CE . 17905 1 493 . 1 1 45 45 LYS N N 15 123.765 0.2 . 1 . . . . 135 LYS N . 17905 1 494 . 1 1 46 46 ARG H H 1 9.004 0.02 . 1 . . . . 136 ARG H . 17905 1 495 . 1 1 46 46 ARG HA H 1 4.648 0.02 . 1 . . . . 136 ARG HA . 17905 1 496 . 1 1 46 46 ARG HB2 H 1 1.838 0.02 . 2 . . . . 136 ARG HB2 . 17905 1 497 . 1 1 46 46 ARG HB3 H 1 1.715 0.02 . 2 . . . . 136 ARG HB3 . 17905 1 498 . 1 1 46 46 ARG HG2 H 1 1.488 0.02 . 2 . . . . 136 ARG HG2 . 17905 1 499 . 1 1 46 46 ARG HD2 H 1 3.132 0.02 . 2 . . . . 136 ARG HD2 . 17905 1 500 . 1 1 46 46 ARG CA C 13 55.210 0.2 . 1 . . . . 136 ARG CA . 17905 1 501 . 1 1 46 46 ARG CB C 13 32.949 0.2 . 1 . . . . 136 ARG CB . 17905 1 502 . 1 1 46 46 ARG CG C 13 27.559 0.2 . 1 . . . . 136 ARG CG . 17905 1 503 . 1 1 46 46 ARG CD C 13 43.160 0.2 . 1 . . . . 136 ARG CD . 17905 1 504 . 1 1 46 46 ARG N N 15 127.735 0.2 . 1 . . . . 136 ARG N . 17905 1 505 . 1 1 47 47 ALA H H 1 8.932 0.02 . 1 . . . . 137 ALA H . 17905 1 506 . 1 1 47 47 ALA HA H 1 4.692 0.02 . 1 . . . . 137 ALA HA . 17905 1 507 . 1 1 47 47 ALA HB1 H 1 1.427 0.02 . 1 . . . . 137 ALA HB . 17905 1 508 . 1 1 47 47 ALA HB2 H 1 1.427 0.02 . 1 . . . . 137 ALA HB . 17905 1 509 . 1 1 47 47 ALA HB3 H 1 1.427 0.02 . 1 . . . . 137 ALA HB . 17905 1 510 . 1 1 47 47 ALA C C 13 177.204 0.2 . 1 . . . . 137 ALA C . 17905 1 511 . 1 1 47 47 ALA CA C 13 52.227 0.2 . 1 . . . . 137 ALA CA . 17905 1 512 . 1 1 47 47 ALA CB C 13 20.289 0.2 . 1 . . . . 137 ALA CB . 17905 1 513 . 1 1 47 47 ALA N N 15 129.039 0.2 . 1 . . . . 137 ALA N . 17905 1 514 . 1 1 48 48 SER H H 1 8.706 0.02 . 1 . . . . 138 SER H . 17905 1 515 . 1 1 48 48 SER HA H 1 3.745 0.02 . 1 . . . . 138 SER HA . 17905 1 516 . 1 1 48 48 SER CA C 13 57.336 0.2 . 1 . . . . 138 SER CA . 17905 1 517 . 1 1 48 48 SER CB C 13 63.768 0.2 . 1 . . . . 138 SER CB . 17905 1 518 . 1 1 48 48 SER N N 15 119.836 0.2 . 1 . . . . 138 SER N . 17905 1 519 . 1 1 51 51 LYS HA H 1 4.420 0.02 . 1 . . . . 141 LYS HA . 17905 1 520 . 1 1 51 51 LYS HB2 H 1 2.102 0.02 . 2 . . . . 141 LYS HB2 . 17905 1 521 . 1 1 51 51 LYS HB3 H 1 1.622 0.02 . 2 . . . . 141 LYS HB3 . 17905 1 522 . 1 1 51 51 LYS HG2 H 1 1.404 0.02 . 2 . . . . 141 LYS HG2 . 17905 1 523 . 1 1 51 51 LYS HG3 H 1 1.241 0.02 . 2 . . . . 141 LYS HG3 . 17905 1 524 . 1 1 51 51 LYS HD2 H 1 1.582 0.02 . 2 . . . . 141 LYS HD2 . 17905 1 525 . 1 1 51 51 LYS HE2 H 1 2.919 0.02 . 2 . . . . 141 LYS HE2 . 17905 1 526 . 1 1 51 51 LYS C C 13 174.297 0.2 . 1 . . . . 141 LYS C . 17905 1 527 . 1 1 51 51 LYS CA C 13 56.163 0.2 . 1 . . . . 141 LYS CA . 17905 1 528 . 1 1 51 51 LYS CB C 13 33.126 0.2 . 1 . . . . 141 LYS CB . 17905 1 529 . 1 1 51 51 LYS CG C 13 25.468 0.2 . 1 . . . . 141 LYS CG . 17905 1 530 . 1 1 51 51 LYS CD C 13 29.179 0.2 . 1 . . . . 141 LYS CD . 17905 1 531 . 1 1 51 51 LYS CE C 13 42.410 0.2 . 1 . . . . 141 LYS CE . 17905 1 532 . 1 1 52 52 LEU H H 1 6.969 0.02 . 1 . . . . 142 LEU H . 17905 1 533 . 1 1 52 52 LEU HA H 1 5.202 0.02 . 1 . . . . 142 LEU HA . 17905 1 534 . 1 1 52 52 LEU HB2 H 1 1.618 0.02 . 2 . . . . 142 LEU HB2 . 17905 1 535 . 1 1 52 52 LEU HB3 H 1 1.344 0.02 . 2 . . . . 142 LEU HB3 . 17905 1 536 . 1 1 52 52 LEU HG H 1 1.087 0.02 . 1 . . . . 142 LEU HG . 17905 1 537 . 1 1 52 52 LEU HD11 H 1 0.852 0.02 . 2 . . . . 142 LEU HD1 . 17905 1 538 . 1 1 52 52 LEU HD12 H 1 0.852 0.02 . 2 . . . . 142 LEU HD1 . 17905 1 539 . 1 1 52 52 LEU HD13 H 1 0.852 0.02 . 2 . . . . 142 LEU HD1 . 17905 1 540 . 1 1 52 52 LEU HD21 H 1 0.538 0.02 . 2 . . . . 142 LEU HD2 . 17905 1 541 . 1 1 52 52 LEU HD22 H 1 0.538 0.02 . 2 . . . . 142 LEU HD2 . 17905 1 542 . 1 1 52 52 LEU HD23 H 1 0.538 0.02 . 2 . . . . 142 LEU HD2 . 17905 1 543 . 1 1 52 52 LEU C C 13 173.978 0.2 . 1 . . . . 142 LEU C . 17905 1 544 . 1 1 52 52 LEU CA C 13 54.448 0.2 . 1 . . . . 142 LEU CA . 17905 1 545 . 1 1 52 52 LEU CB C 13 44.239 0.2 . 1 . . . . 142 LEU CB . 17905 1 546 . 1 1 52 52 LEU CG C 13 27.191 0.2 . 1 . . . . 142 LEU CG . 17905 1 547 . 1 1 52 52 LEU CD1 C 13 25.578 0.2 . 2 . . . . 142 LEU CD1 . 17905 1 548 . 1 1 52 52 LEU CD2 C 13 23.270 0.2 . 2 . . . . 142 LEU CD2 . 17905 1 549 . 1 1 52 52 LEU N N 15 121.402 0.2 . 1 . . . . 142 LEU N . 17905 1 550 . 1 1 53 53 ILE H H 1 8.877 0.02 . 1 . . . . 143 ILE H . 17905 1 551 . 1 1 53 53 ILE HA H 1 4.300 0.02 . 1 . . . . 143 ILE HA . 17905 1 552 . 1 1 53 53 ILE HB H 1 1.366 0.02 . 1 . . . . 143 ILE HB . 17905 1 553 . 1 1 53 53 ILE HG12 H 1 1.325 0.02 . 2 . . . . 143 ILE HG12 . 17905 1 554 . 1 1 53 53 ILE HG13 H 1 0.899 0.02 . 2 . . . . 143 ILE HG13 . 17905 1 555 . 1 1 53 53 ILE HG21 H 1 0.613 0.02 . 1 . . . . 143 ILE HG2 . 17905 1 556 . 1 1 53 53 ILE HG22 H 1 0.613 0.02 . 1 . . . . 143 ILE HG2 . 17905 1 557 . 1 1 53 53 ILE HG23 H 1 0.613 0.02 . 1 . . . . 143 ILE HG2 . 17905 1 558 . 1 1 53 53 ILE HD11 H 1 0.209 0.02 . 1 . . . . 143 ILE HD1 . 17905 1 559 . 1 1 53 53 ILE HD12 H 1 0.209 0.02 . 1 . . . . 143 ILE HD1 . 17905 1 560 . 1 1 53 53 ILE HD13 H 1 0.209 0.02 . 1 . . . . 143 ILE HD1 . 17905 1 561 . 1 1 53 53 ILE C C 13 172.823 0.2 . 1 . . . . 143 ILE C . 17905 1 562 . 1 1 53 53 ILE CA C 13 60.284 0.2 . 1 . . . . 143 ILE CA . 17905 1 563 . 1 1 53 53 ILE CB C 13 41.878 0.2 . 1 . . . . 143 ILE CB . 17905 1 564 . 1 1 53 53 ILE CG1 C 13 28.460 0.2 . 1 . . . . 143 ILE CG1 . 17905 1 565 . 1 1 53 53 ILE CD1 C 13 17.907 0.2 . 1 . . . . 143 ILE CD1 . 17905 1 566 . 1 1 53 53 ILE N N 15 127.485 0.2 . 1 . . . . 143 ILE N . 17905 1 567 . 1 1 54 54 PHE H H 1 8.608 0.02 . 1 . . . . 144 PHE H . 17905 1 568 . 1 1 54 54 PHE HA H 1 5.513 0.02 . 1 . . . . 144 PHE HA . 17905 1 569 . 1 1 54 54 PHE HB2 H 1 2.830 0.02 . 2 . . . . 144 PHE HB2 . 17905 1 570 . 1 1 54 54 PHE HD1 H 1 7.014 0.02 . 3 . . . . 144 PHE HD1 . 17905 1 571 . 1 1 54 54 PHE HE1 H 1 7.234 0.02 . 3 . . . . 144 PHE HE1 . 17905 1 572 . 1 1 54 54 PHE C C 13 176.136 0.2 . 1 . . . . 144 PHE C . 17905 1 573 . 1 1 54 54 PHE CA C 13 55.830 0.2 . 1 . . . . 144 PHE CA . 17905 1 574 . 1 1 54 54 PHE CB C 13 41.406 0.2 . 1 . . . . 144 PHE CB . 17905 1 575 . 1 1 54 54 PHE N N 15 123.185 0.2 . 1 . . . . 144 PHE N . 17905 1 576 . 1 1 55 55 TYR H H 1 9.126 0.02 . 1 . . . . 145 TYR H . 17905 1 577 . 1 1 55 55 TYR HA H 1 5.362 0.02 . 1 . . . . 145 TYR HA . 17905 1 578 . 1 1 55 55 TYR HB2 H 1 2.785 0.02 . 2 . . . . 145 TYR HB2 . 17905 1 579 . 1 1 55 55 TYR HB3 H 1 2.704 0.02 . 2 . . . . 145 TYR HB3 . 17905 1 580 . 1 1 55 55 TYR HD1 H 1 6.816 0.02 . 3 . . . . 145 TYR HD1 . 17905 1 581 . 1 1 55 55 TYR HE1 H 1 6.331 0.02 . 3 . . . . 145 TYR HE1 . 17905 1 582 . 1 1 55 55 TYR C C 13 174.491 0.2 . 1 . . . . 145 TYR C . 17905 1 583 . 1 1 55 55 TYR CA C 13 56.516 0.2 . 1 . . . . 145 TYR CA . 17905 1 584 . 1 1 55 55 TYR CB C 13 40.672 0.2 . 1 . . . . 145 TYR CB . 17905 1 585 . 1 1 55 55 TYR CD1 C 13 132.034 0.2 . 3 . . . . 145 TYR CD1 . 17905 1 586 . 1 1 55 55 TYR CE1 C 13 117.600 0.2 . 3 . . . . 145 TYR CE1 . 17905 1 587 . 1 1 55 55 TYR N N 15 119.490 0.2 . 1 . . . . 145 TYR N . 17905 1 588 . 1 1 56 56 ASP H H 1 8.379 0.02 . 1 . . . . 146 ASP H . 17905 1 589 . 1 1 56 56 ASP HA H 1 4.877 0.02 . 1 . . . . 146 ASP HA . 17905 1 590 . 1 1 56 56 ASP HB2 H 1 2.922 0.02 . 2 . . . . 146 ASP HB2 . 17905 1 591 . 1 1 56 56 ASP HB3 H 1 2.608 0.02 . 2 . . . . 146 ASP HB3 . 17905 1 592 . 1 1 56 56 ASP C C 13 173.904 0.2 . 1 . . . . 146 ASP C . 17905 1 593 . 1 1 56 56 ASP CA C 13 53.472 0.2 . 1 . . . . 146 ASP CA . 17905 1 594 . 1 1 56 56 ASP CB C 13 42.271 0.2 . 1 . . . . 146 ASP CB . 17905 1 595 . 1 1 56 56 ASP N N 15 125.070 0.2 . 1 . . . . 146 ASP N . 17905 1 596 . 1 1 57 57 LEU H H 1 8.715 0.02 . 1 . . . . 147 LEU H . 17905 1 597 . 1 1 57 57 LEU HA H 1 4.923 0.02 . 1 . . . . 147 LEU HA . 17905 1 598 . 1 1 57 57 LEU HB2 H 1 2.051 0.02 . 2 . . . . 147 LEU HB2 . 17905 1 599 . 1 1 57 57 LEU HB3 H 1 1.194 0.02 . 2 . . . . 147 LEU HB3 . 17905 1 600 . 1 1 57 57 LEU HG H 1 1.269 0.02 . 1 . . . . 147 LEU HG . 17905 1 601 . 1 1 57 57 LEU HD11 H 1 0.513 0.02 . 2 . . . . 147 LEU HD1 . 17905 1 602 . 1 1 57 57 LEU HD12 H 1 0.513 0.02 . 2 . . . . 147 LEU HD1 . 17905 1 603 . 1 1 57 57 LEU HD13 H 1 0.513 0.02 . 2 . . . . 147 LEU HD1 . 17905 1 604 . 1 1 57 57 LEU HD21 H 1 0.450 0.02 . 2 . . . . 147 LEU HD2 . 17905 1 605 . 1 1 57 57 LEU HD22 H 1 0.450 0.02 . 2 . . . . 147 LEU HD2 . 17905 1 606 . 1 1 57 57 LEU HD23 H 1 0.450 0.02 . 2 . . . . 147 LEU HD2 . 17905 1 607 . 1 1 57 57 LEU C C 13 175.725 0.2 . 1 . . . . 147 LEU C . 17905 1 608 . 1 1 57 57 LEU CA C 13 53.985 0.2 . 1 . . . . 147 LEU CA . 17905 1 609 . 1 1 57 57 LEU CB C 13 45.807 0.2 . 1 . . . . 147 LEU CB . 17905 1 610 . 1 1 57 57 LEU CG C 13 27.330 0.2 . 1 . . . . 147 LEU CG . 17905 1 611 . 1 1 57 57 LEU CD1 C 13 24.525 0.2 . 2 . . . . 147 LEU CD1 . 17905 1 612 . 1 1 57 57 LEU CD2 C 13 24.825 0.2 . 2 . . . . 147 LEU CD2 . 17905 1 613 . 1 1 57 57 LEU N N 15 130.583 0.2 . 1 . . . . 147 LEU N . 17905 1 614 . 1 1 58 58 ARG H H 1 9.181 0.02 . 1 . . . . 148 ARG H . 17905 1 615 . 1 1 58 58 ARG HA H 1 5.366 0.02 . 1 . . . . 148 ARG HA . 17905 1 616 . 1 1 58 58 ARG HB2 H 1 1.813 0.02 . 2 . . . . 148 ARG HB2 . 17905 1 617 . 1 1 58 58 ARG HB3 H 1 1.685 0.02 . 2 . . . . 148 ARG HB3 . 17905 1 618 . 1 1 58 58 ARG HG2 H 1 1.542 0.02 . 2 . . . . 148 ARG HG2 . 17905 1 619 . 1 1 58 58 ARG HD2 H 1 2.911 0.02 . 2 . . . . 148 ARG HD2 . 17905 1 620 . 1 1 58 58 ARG HD3 H 1 2.426 0.02 . 2 . . . . 148 ARG HD3 . 17905 1 621 . 1 1 58 58 ARG C C 13 176.437 0.2 . 1 . . . . 148 ARG C . 17905 1 622 . 1 1 58 58 ARG CA C 13 54.479 0.2 . 1 . . . . 148 ARG CA . 17905 1 623 . 1 1 58 58 ARG CB C 13 34.225 0.2 . 1 . . . . 148 ARG CB . 17905 1 624 . 1 1 58 58 ARG CG C 13 27.854 0.2 . 1 . . . . 148 ARG CG . 17905 1 625 . 1 1 58 58 ARG CD C 13 43.020 0.2 . 1 . . . . 148 ARG CD . 17905 1 626 . 1 1 58 58 ARG N N 15 121.875 0.2 . 1 . . . . 148 ARG N . 17905 1 627 . 1 1 59 59 GLY H H 1 7.748 0.02 . 1 . . . . 149 GLY H . 17905 1 628 . 1 1 59 59 GLY HA2 H 1 4.279 0.02 . 2 . . . . 149 GLY HA2 . 17905 1 629 . 1 1 59 59 GLY HA3 H 1 4.136 0.02 . 2 . . . . 149 GLY HA3 . 17905 1 630 . 1 1 59 59 GLY C C 13 172.430 0.2 . 1 . . . . 149 GLY C . 17905 1 631 . 1 1 59 59 GLY CA C 13 45.747 0.2 . 1 . . . . 149 GLY CA . 17905 1 632 . 1 1 59 59 GLY N N 15 111.264 0.2 . 1 . . . . 149 GLY N . 17905 1 633 . 1 1 60 60 GLU H H 1 9.023 0.02 . 1 . . . . 150 GLU H . 17905 1 634 . 1 1 60 60 GLU HA H 1 4.011 0.02 . 1 . . . . 150 GLU HA . 17905 1 635 . 1 1 60 60 GLU HB2 H 1 2.404 0.02 . 2 . . . . 150 GLU HB2 . 17905 1 636 . 1 1 60 60 GLU HB3 H 1 2.344 0.02 . 2 . . . . 150 GLU HB3 . 17905 1 637 . 1 1 60 60 GLU HG2 H 1 2.438 0.02 . 2 . . . . 150 GLU HG2 . 17905 1 638 . 1 1 60 60 GLU HG3 H 1 2.143 0.02 . 2 . . . . 150 GLU HG3 . 17905 1 639 . 1 1 60 60 GLU C C 13 175.912 0.2 . 1 . . . . 150 GLU C . 17905 1 640 . 1 1 60 60 GLU CA C 13 57.082 0.2 . 1 . . . . 150 GLU CA . 17905 1 641 . 1 1 60 60 GLU CB C 13 27.670 0.2 . 1 . . . . 150 GLU CB . 17905 1 642 . 1 1 60 60 GLU CG C 13 36.108 0.2 . 1 . . . . 150 GLU CG . 17905 1 643 . 1 1 60 60 GLU N N 15 116.181 0.2 . 1 . . . . 150 GLU N . 17905 1 644 . 1 1 61 61 GLY H H 1 8.536 0.02 . 1 . . . . 151 GLY H . 17905 1 645 . 1 1 61 61 GLY HA2 H 1 4.250 0.02 . 2 . . . . 151 GLY HA2 . 17905 1 646 . 1 1 61 61 GLY HA3 H 1 3.676 0.02 . 2 . . . . 151 GLY HA3 . 17905 1 647 . 1 1 61 61 GLY C C 13 174.921 0.2 . 1 . . . . 151 GLY C . 17905 1 648 . 1 1 61 61 GLY CA C 13 45.674 0.2 . 1 . . . . 151 GLY CA . 17905 1 649 . 1 1 61 61 GLY N N 15 106.939 0.2 . 1 . . . . 151 GLY N . 17905 1 650 . 1 1 62 62 VAL H H 1 8.299 0.02 . 1 . . . . 152 VAL H . 17905 1 651 . 1 1 62 62 VAL HA H 1 4.783 0.02 . 1 . . . . 152 VAL HA . 17905 1 652 . 1 1 62 62 VAL HB H 1 2.335 0.02 . 1 . . . . 152 VAL HB . 17905 1 653 . 1 1 62 62 VAL HG11 H 1 0.921 0.02 . 2 . . . . 152 VAL HG1 . 17905 1 654 . 1 1 62 62 VAL HG12 H 1 0.921 0.02 . 2 . . . . 152 VAL HG1 . 17905 1 655 . 1 1 62 62 VAL HG13 H 1 0.921 0.02 . 2 . . . . 152 VAL HG1 . 17905 1 656 . 1 1 62 62 VAL HG21 H 1 0.785 0.02 . 2 . . . . 152 VAL HG2 . 17905 1 657 . 1 1 62 62 VAL HG22 H 1 0.785 0.02 . 2 . . . . 152 VAL HG2 . 17905 1 658 . 1 1 62 62 VAL HG23 H 1 0.785 0.02 . 2 . . . . 152 VAL HG2 . 17905 1 659 . 1 1 62 62 VAL C C 13 174.167 0.2 . 1 . . . . 152 VAL C . 17905 1 660 . 1 1 62 62 VAL CA C 13 59.796 0.2 . 1 . . . . 152 VAL CA . 17905 1 661 . 1 1 62 62 VAL CB C 13 34.854 0.2 . 1 . . . . 152 VAL CB . 17905 1 662 . 1 1 62 62 VAL CG1 C 13 21.852 0.2 . 2 . . . . 152 VAL CG1 . 17905 1 663 . 1 1 62 62 VAL CG2 C 13 19.992 0.2 . 2 . . . . 152 VAL CG2 . 17905 1 664 . 1 1 62 62 VAL N N 15 116.375 0.2 . 1 . . . . 152 VAL N . 17905 1 665 . 1 1 63 63 LYS H H 1 7.818 0.02 . 1 . . . . 153 LYS H . 17905 1 666 . 1 1 63 63 LYS HA H 1 5.422 0.02 . 1 . . . . 153 LYS HA . 17905 1 667 . 1 1 63 63 LYS HB2 H 1 1.751 0.02 . 2 . . . . 153 LYS HB2 . 17905 1 668 . 1 1 63 63 LYS HB3 H 1 1.583 0.02 . 2 . . . . 153 LYS HB3 . 17905 1 669 . 1 1 63 63 LYS HG2 H 1 1.242 0.02 . 2 . . . . 153 LYS HG2 . 17905 1 670 . 1 1 63 63 LYS HD2 H 1 1.549 0.02 . 2 . . . . 153 LYS HD2 . 17905 1 671 . 1 1 63 63 LYS HD3 H 1 1.484 0.02 . 2 . . . . 153 LYS HD3 . 17905 1 672 . 1 1 63 63 LYS HE2 H 1 2.846 0.02 . 2 . . . . 153 LYS HE2 . 17905 1 673 . 1 1 63 63 LYS C C 13 173.390 0.2 . 1 . . . . 153 LYS C . 17905 1 674 . 1 1 63 63 LYS CA C 13 54.337 0.2 . 1 . . . . 153 LYS CA . 17905 1 675 . 1 1 63 63 LYS CB C 13 36.529 0.2 . 1 . . . . 153 LYS CB . 17905 1 676 . 1 1 63 63 LYS CG C 13 23.617 0.2 . 1 . . . . 153 LYS CG . 17905 1 677 . 1 1 63 63 LYS CD C 13 29.895 0.2 . 1 . . . . 153 LYS CD . 17905 1 678 . 1 1 63 63 LYS CE C 13 41.924 0.2 . 1 . . . . 153 LYS CE . 17905 1 679 . 1 1 63 63 LYS N N 15 118.340 0.2 . 1 . . . . 153 LYS N . 17905 1 680 . 1 1 64 64 LEU H H 1 9.133 0.02 . 1 . . . . 154 LEU H . 17905 1 681 . 1 1 64 64 LEU HA H 1 4.608 0.02 . 1 . . . . 154 LEU HA . 17905 1 682 . 1 1 64 64 LEU HB2 H 1 1.474 0.02 . 2 . . . . 154 LEU HB2 . 17905 1 683 . 1 1 64 64 LEU HB3 H 1 1.192 0.02 . 2 . . . . 154 LEU HB3 . 17905 1 684 . 1 1 64 64 LEU HG H 1 1.468 0.02 . 1 . . . . 154 LEU HG . 17905 1 685 . 1 1 64 64 LEU HD11 H 1 0.793 0.02 . 2 . . . . 154 LEU HD1 . 17905 1 686 . 1 1 64 64 LEU HD12 H 1 0.793 0.02 . 2 . . . . 154 LEU HD1 . 17905 1 687 . 1 1 64 64 LEU HD13 H 1 0.793 0.02 . 2 . . . . 154 LEU HD1 . 17905 1 688 . 1 1 64 64 LEU HD21 H 1 0.072 0.02 . 2 . . . . 154 LEU HD2 . 17905 1 689 . 1 1 64 64 LEU HD22 H 1 0.072 0.02 . 2 . . . . 154 LEU HD2 . 17905 1 690 . 1 1 64 64 LEU HD23 H 1 0.072 0.02 . 2 . . . . 154 LEU HD2 . 17905 1 691 . 1 1 64 64 LEU C C 13 174.215 0.2 . 1 . . . . 154 LEU C . 17905 1 692 . 1 1 64 64 LEU CA C 13 53.920 0.2 . 1 . . . . 154 LEU CA . 17905 1 693 . 1 1 64 64 LEU CB C 13 47.234 0.2 . 1 . . . . 154 LEU CB . 17905 1 694 . 1 1 64 64 LEU CG C 13 27.249 0.2 . 1 . . . . 154 LEU CG . 17905 1 695 . 1 1 64 64 LEU CD1 C 13 23.660 0.2 . 2 . . . . 154 LEU CD1 . 17905 1 696 . 1 1 64 64 LEU CD2 C 13 26.002 0.2 . 2 . . . . 154 LEU CD2 . 17905 1 697 . 1 1 64 64 LEU N N 15 122.566 0.2 . 1 . . . . 154 LEU N . 17905 1 698 . 1 1 65 65 GLN H H 1 7.553 0.02 . 1 . . . . 155 GLN H . 17905 1 699 . 1 1 65 65 GLN HA H 1 5.109 0.02 . 1 . . . . 155 GLN HA . 17905 1 700 . 1 1 65 65 GLN HB2 H 1 2.410 0.02 . 2 . . . . 155 GLN HB2 . 17905 1 701 . 1 1 65 65 GLN HB3 H 1 2.061 0.02 . 2 . . . . 155 GLN HB3 . 17905 1 702 . 1 1 65 65 GLN HG2 H 1 2.196 0.02 . 2 . . . . 155 GLN HG2 . 17905 1 703 . 1 1 65 65 GLN HE21 H 1 7.063 0.02 . 2 . . . . 155 GLN HE21 . 17905 1 704 . 1 1 65 65 GLN HE22 H 1 6.389 0.02 . 2 . . . . 155 GLN HE22 . 17905 1 705 . 1 1 65 65 GLN C C 13 175.275 0.2 . 1 . . . . 155 GLN C . 17905 1 706 . 1 1 65 65 GLN CA C 13 55.891 0.2 . 1 . . . . 155 GLN CA . 17905 1 707 . 1 1 65 65 GLN CB C 13 31.035 0.2 . 1 . . . . 155 GLN CB . 17905 1 708 . 1 1 65 65 GLN CG C 13 36.118 0.2 . 1 . . . . 155 GLN CG . 17905 1 709 . 1 1 65 65 GLN CD C 13 179.390 0.2 . 1 . . . . 155 GLN CD . 17905 1 710 . 1 1 65 65 GLN N N 15 124.750 0.2 . 1 . . . . 155 GLN N . 17905 1 711 . 1 1 65 65 GLN NE2 N 15 109.408 0.2 . 1 . . . . 155 GLN NE2 . 17905 1 712 . 1 1 66 66 VAL H H 1 9.692 0.02 . 1 . . . . 156 VAL H . 17905 1 713 . 1 1 66 66 VAL HA H 1 4.753 0.02 . 1 . . . . 156 VAL HA . 17905 1 714 . 1 1 66 66 VAL HB H 1 2.521 0.02 . 1 . . . . 156 VAL HB . 17905 1 715 . 1 1 66 66 VAL HG11 H 1 0.878 0.02 . 2 . . . . 156 VAL HG1 . 17905 1 716 . 1 1 66 66 VAL HG12 H 1 0.878 0.02 . 2 . . . . 156 VAL HG1 . 17905 1 717 . 1 1 66 66 VAL HG13 H 1 0.878 0.02 . 2 . . . . 156 VAL HG1 . 17905 1 718 . 1 1 66 66 VAL HG21 H 1 0.850 0.02 . 2 . . . . 156 VAL HG2 . 17905 1 719 . 1 1 66 66 VAL HG22 H 1 0.850 0.02 . 2 . . . . 156 VAL HG2 . 17905 1 720 . 1 1 66 66 VAL HG23 H 1 0.850 0.02 . 2 . . . . 156 VAL HG2 . 17905 1 721 . 1 1 66 66 VAL C C 13 175.319 0.2 . 1 . . . . 156 VAL C . 17905 1 722 . 1 1 66 66 VAL CA C 13 60.492 0.2 . 1 . . . . 156 VAL CA . 17905 1 723 . 1 1 66 66 VAL CB C 13 33.008 0.2 . 1 . . . . 156 VAL CB . 17905 1 724 . 1 1 66 66 VAL CG1 C 13 21.533 0.2 . 2 . . . . 156 VAL CG1 . 17905 1 725 . 1 1 66 66 VAL N N 15 127.136 0.2 . 1 . . . . 156 VAL N . 17905 1 726 . 1 1 67 67 MET H H 1 8.502 0.02 . 1 . . . . 157 MET H . 17905 1 727 . 1 1 67 67 MET HA H 1 4.417 0.02 . 1 . . . . 157 MET HA . 17905 1 728 . 1 1 67 67 MET HB2 H 1 2.167 0.02 . 2 . . . . 157 MET HB2 . 17905 1 729 . 1 1 67 67 MET HB3 H 1 1.522 0.02 . 2 . . . . 157 MET HB3 . 17905 1 730 . 1 1 67 67 MET HG2 H 1 2.129 0.02 . 2 . . . . 157 MET HG2 . 17905 1 731 . 1 1 67 67 MET HG3 H 1 1.910 0.02 . 2 . . . . 157 MET HG3 . 17905 1 732 . 1 1 67 67 MET C C 13 171.710 0.2 . 1 . . . . 157 MET C . 17905 1 733 . 1 1 67 67 MET CA C 13 54.132 0.2 . 1 . . . . 157 MET CA . 17905 1 734 . 1 1 67 67 MET CB C 13 34.396 0.2 . 1 . . . . 157 MET CB . 17905 1 735 . 1 1 67 67 MET CG C 13 31.672 0.2 . 1 . . . . 157 MET CG . 17905 1 736 . 1 1 67 67 MET N N 15 130.695 0.2 . 1 . . . . 157 MET N . 17905 1 737 . 1 1 68 68 ALA H H 1 8.713 0.02 . 1 . . . . 158 ALA H . 17905 1 738 . 1 1 68 68 ALA HA H 1 4.641 0.02 . 1 . . . . 158 ALA HA . 17905 1 739 . 1 1 68 68 ALA HB1 H 1 1.433 0.02 . 1 . . . . 158 ALA HB . 17905 1 740 . 1 1 68 68 ALA HB2 H 1 1.433 0.02 . 1 . . . . 158 ALA HB . 17905 1 741 . 1 1 68 68 ALA HB3 H 1 1.433 0.02 . 1 . . . . 158 ALA HB . 17905 1 742 . 1 1 68 68 ALA C C 13 173.546 0.2 . 1 . . . . 158 ALA C . 17905 1 743 . 1 1 68 68 ALA CA C 13 51.343 0.2 . 1 . . . . 158 ALA CA . 17905 1 744 . 1 1 68 68 ALA CB C 13 18.317 0.2 . 1 . . . . 158 ALA CB . 17905 1 745 . 1 1 68 68 ALA N N 15 127.579 0.2 . 1 . . . . 158 ALA N . 17905 1 746 . 1 1 69 69 ASN H H 1 8.165 0.02 . 1 . . . . 159 ASN H . 17905 1 747 . 1 1 69 69 ASN HA H 1 5.320 0.02 . 1 . . . . 159 ASN HA . 17905 1 748 . 1 1 69 69 ASN HB2 H 1 3.029 0.02 . 2 . . . . 159 ASN HB2 . 17905 1 749 . 1 1 69 69 ASN HB3 H 1 2.418 0.02 . 2 . . . . 159 ASN HB3 . 17905 1 750 . 1 1 69 69 ASN HD21 H 1 7.446 0.02 . 2 . . . . 159 ASN HD21 . 17905 1 751 . 1 1 69 69 ASN HD22 H 1 6.978 0.02 . 2 . . . . 159 ASN HD22 . 17905 1 752 . 1 1 69 69 ASN C C 13 177.367 0.2 . 1 . . . . 159 ASN C . 17905 1 753 . 1 1 69 69 ASN CA C 13 51.259 0.2 . 1 . . . . 159 ASN CA . 17905 1 754 . 1 1 69 69 ASN CB C 13 41.392 0.2 . 1 . . . . 159 ASN CB . 17905 1 755 . 1 1 69 69 ASN CG C 13 176.047 0.2 . 1 . . . . 159 ASN CG . 17905 1 756 . 1 1 69 69 ASN N N 15 124.325 0.2 . 1 . . . . 159 ASN N . 17905 1 757 . 1 1 69 69 ASN ND2 N 15 113.426 0.2 . 1 . . . . 159 ASN ND2 . 17905 1 758 . 1 1 70 70 SER H H 1 8.423 0.02 . 1 . . . . 160 SER H . 17905 1 759 . 1 1 70 70 SER HA H 1 2.486 0.02 . 1 . . . . 160 SER HA . 17905 1 760 . 1 1 70 70 SER HB2 H 1 3.169 0.02 . 2 . . . . 160 SER HB2 . 17905 1 761 . 1 1 70 70 SER HB3 H 1 2.914 0.02 . 2 . . . . 160 SER HB3 . 17905 1 762 . 1 1 70 70 SER C C 13 175.539 0.2 . 1 . . . . 160 SER C . 17905 1 763 . 1 1 70 70 SER CA C 13 62.314 0.2 . 1 . . . . 160 SER CA . 17905 1 764 . 1 1 70 70 SER CB C 13 62.147 0.2 . 1 . . . . 160 SER CB . 17905 1 765 . 1 1 70 70 SER N N 15 126.316 0.2 . 1 . . . . 160 SER N . 17905 1 766 . 1 1 71 71 ARG H H 1 7.885 0.02 . 1 . . . . 161 ARG H . 17905 1 767 . 1 1 71 71 ARG HA H 1 4.079 0.02 . 1 . . . . 161 ARG HA . 17905 1 768 . 1 1 71 71 ARG HB2 H 1 1.734 0.02 . 2 . . . . 161 ARG HB2 . 17905 1 769 . 1 1 71 71 ARG HG2 H 1 1.593 0.02 . 2 . . . . 161 ARG HG2 . 17905 1 770 . 1 1 71 71 ARG HD2 H 1 3.183 0.02 . 2 . . . . 161 ARG HD2 . 17905 1 771 . 1 1 71 71 ARG C C 13 176.799 0.2 . 1 . . . . 161 ARG C . 17905 1 772 . 1 1 71 71 ARG CA C 13 57.960 0.2 . 1 . . . . 161 ARG CA . 17905 1 773 . 1 1 71 71 ARG CB C 13 29.978 0.2 . 1 . . . . 161 ARG CB . 17905 1 774 . 1 1 71 71 ARG CG C 13 27.033 0.2 . 1 . . . . 161 ARG CG . 17905 1 775 . 1 1 71 71 ARG CD C 13 43.106 0.2 . 1 . . . . 161 ARG CD . 17905 1 776 . 1 1 71 71 ARG N N 15 118.907 0.2 . 1 . . . . 161 ARG N . 17905 1 777 . 1 1 72 72 ASN H H 1 7.511 0.02 . 1 . . . . 162 ASN H . 17905 1 778 . 1 1 72 72 ASN HA H 1 4.934 0.02 . 1 . . . . 162 ASN HA . 17905 1 779 . 1 1 72 72 ASN HB2 H 1 3.156 0.02 . 2 . . . . 162 ASN HB2 . 17905 1 780 . 1 1 72 72 ASN HB3 H 1 2.457 0.02 . 2 . . . . 162 ASN HB3 . 17905 1 781 . 1 1 72 72 ASN HD21 H 1 7.788 0.02 . 2 . . . . 162 ASN HD21 . 17905 1 782 . 1 1 72 72 ASN HD22 H 1 7.033 0.02 . 2 . . . . 162 ASN HD22 . 17905 1 783 . 1 1 72 72 ASN C C 13 173.674 0.2 . 1 . . . . 162 ASN C . 17905 1 784 . 1 1 72 72 ASN CA C 13 54.004 0.2 . 1 . . . . 162 ASN CA . 17905 1 785 . 1 1 72 72 ASN CB C 13 41.748 0.2 . 1 . . . . 162 ASN CB . 17905 1 786 . 1 1 72 72 ASN CG C 13 176.765 0.2 . 1 . . . . 162 ASN CG . 17905 1 787 . 1 1 72 72 ASN N N 15 114.315 0.2 . 1 . . . . 162 ASN N . 17905 1 788 . 1 1 72 72 ASN ND2 N 15 109.959 0.2 . 1 . . . . 162 ASN ND2 . 17905 1 789 . 1 1 73 73 TYR H H 1 7.210 0.02 . 1 . . . . 163 TYR H . 17905 1 790 . 1 1 73 73 TYR HA H 1 4.490 0.02 . 1 . . . . 163 TYR HA . 17905 1 791 . 1 1 73 73 TYR HB2 H 1 3.137 0.02 . 2 . . . . 163 TYR HB2 . 17905 1 792 . 1 1 73 73 TYR HB3 H 1 2.779 0.02 . 2 . . . . 163 TYR HB3 . 17905 1 793 . 1 1 73 73 TYR HD1 H 1 7.509 0.02 . 3 . . . . 163 TYR HD1 . 17905 1 794 . 1 1 73 73 TYR HE1 H 1 6.633 0.02 . 3 . . . . 163 TYR HE1 . 17905 1 795 . 1 1 73 73 TYR C C 13 175.477 0.2 . 1 . . . . 163 TYR C . 17905 1 796 . 1 1 73 73 TYR CA C 13 58.916 0.2 . 1 . . . . 163 TYR CA . 17905 1 797 . 1 1 73 73 TYR CB C 13 40.646 0.2 . 1 . . . . 163 TYR CB . 17905 1 798 . 1 1 73 73 TYR CD1 C 13 134.618 0.2 . 3 . . . . 163 TYR CD1 . 17905 1 799 . 1 1 73 73 TYR CE1 C 13 116.909 0.2 . 3 . . . . 163 TYR CE1 . 17905 1 800 . 1 1 73 73 TYR N N 15 120.669 0.2 . 1 . . . . 163 TYR N . 17905 1 801 . 1 1 74 74 LYS H H 1 7.442 0.02 . 1 . . . . 164 LYS H . 17905 1 802 . 1 1 74 74 LYS HA H 1 3.513 0.02 . 1 . . . . 164 LYS HA . 17905 1 803 . 1 1 74 74 LYS HB2 H 1 1.053 0.02 . 2 . . . . 164 LYS HB2 . 17905 1 804 . 1 1 74 74 LYS HB3 H 1 0.607 0.02 . 2 . . . . 164 LYS HB3 . 17905 1 805 . 1 1 74 74 LYS HG2 H 1 1.161 0.02 . 2 . . . . 164 LYS HG2 . 17905 1 806 . 1 1 74 74 LYS HD2 H 1 1.539 0.02 . 2 . . . . 164 LYS HD2 . 17905 1 807 . 1 1 74 74 LYS HD3 H 1 1.303 0.02 . 2 . . . . 164 LYS HD3 . 17905 1 808 . 1 1 74 74 LYS HE2 H 1 2.918 0.02 . 2 . . . . 164 LYS HE2 . 17905 1 809 . 1 1 74 74 LYS C C 13 176.521 0.2 . 1 . . . . 164 LYS C . 17905 1 810 . 1 1 74 74 LYS CA C 13 60.477 0.2 . 1 . . . . 164 LYS CA . 17905 1 811 . 1 1 74 74 LYS CB C 13 31.762 0.2 . 1 . . . . 164 LYS CB . 17905 1 812 . 1 1 74 74 LYS CG C 13 23.342 0.2 . 1 . . . . 164 LYS CG . 17905 1 813 . 1 1 74 74 LYS CD C 13 29.542 0.2 . 1 . . . . 164 LYS CD . 17905 1 814 . 1 1 74 74 LYS CE C 13 41.510 0.2 . 1 . . . . 164 LYS CE . 17905 1 815 . 1 1 74 74 LYS N N 15 125.025 0.2 . 1 . . . . 164 LYS N . 17905 1 816 . 1 1 75 75 SER H H 1 6.937 0.02 . 1 . . . . 165 SER H . 17905 1 817 . 1 1 75 75 SER HA H 1 4.666 0.02 . 1 . . . . 165 SER HA . 17905 1 818 . 1 1 75 75 SER HB2 H 1 4.278 0.02 . 2 . . . . 165 SER HB2 . 17905 1 819 . 1 1 75 75 SER HB3 H 1 4.105 0.02 . 2 . . . . 165 SER HB3 . 17905 1 820 . 1 1 75 75 SER C C 13 174.984 0.2 . 1 . . . . 165 SER C . 17905 1 821 . 1 1 75 75 SER CA C 13 58.342 0.2 . 1 . . . . 165 SER CA . 17905 1 822 . 1 1 75 75 SER CB C 13 65.895 0.2 . 1 . . . . 165 SER CB . 17905 1 823 . 1 1 75 75 SER N N 15 108.660 0.2 . 1 . . . . 165 SER N . 17905 1 824 . 1 1 76 76 GLU H H 1 9.216 0.02 . 1 . . . . 166 GLU H . 17905 1 825 . 1 1 76 76 GLU HA H 1 3.988 0.02 . 1 . . . . 166 GLU HA . 17905 1 826 . 1 1 76 76 GLU HB2 H 1 2.083 0.02 . 2 . . . . 166 GLU HB2 . 17905 1 827 . 1 1 76 76 GLU HG2 H 1 2.302 0.02 . 2 . . . . 166 GLU HG2 . 17905 1 828 . 1 1 76 76 GLU HG3 H 1 2.187 0.02 . 2 . . . . 166 GLU HG3 . 17905 1 829 . 1 1 76 76 GLU C C 13 178.721 0.2 . 1 . . . . 166 GLU C . 17905 1 830 . 1 1 76 76 GLU CA C 13 60.389 0.2 . 1 . . . . 166 GLU CA . 17905 1 831 . 1 1 76 76 GLU CB C 13 29.627 0.2 . 1 . . . . 166 GLU CB . 17905 1 832 . 1 1 76 76 GLU CG C 13 37.011 0.2 . 1 . . . . 166 GLU CG . 17905 1 833 . 1 1 76 76 GLU N N 15 125.495 0.2 . 1 . . . . 166 GLU N . 17905 1 834 . 1 1 77 77 GLU H H 1 9.070 0.02 . 1 . . . . 167 GLU H . 17905 1 835 . 1 1 77 77 GLU HA H 1 4.061 0.02 . 1 . . . . 167 GLU HA . 17905 1 836 . 1 1 77 77 GLU HB2 H 1 2.133 0.02 . 2 . . . . 167 GLU HB2 . 17905 1 837 . 1 1 77 77 GLU HB3 H 1 1.998 0.02 . 2 . . . . 167 GLU HB3 . 17905 1 838 . 1 1 77 77 GLU HG2 H 1 2.373 0.02 . 2 . . . . 167 GLU HG2 . 17905 1 839 . 1 1 77 77 GLU HG3 H 1 2.334 0.02 . 2 . . . . 167 GLU HG3 . 17905 1 840 . 1 1 77 77 GLU C C 13 179.785 0.2 . 1 . . . . 167 GLU C . 17905 1 841 . 1 1 77 77 GLU CA C 13 60.258 0.2 . 1 . . . . 167 GLU CA . 17905 1 842 . 1 1 77 77 GLU CB C 13 29.288 0.2 . 1 . . . . 167 GLU CB . 17905 1 843 . 1 1 77 77 GLU CG C 13 36.642 0.2 . 1 . . . . 167 GLU CG . 17905 1 844 . 1 1 77 77 GLU N N 15 120.077 0.2 . 1 . . . . 167 GLU N . 17905 1 845 . 1 1 78 78 GLU H H 1 7.958 0.02 . 1 . . . . 168 GLU H . 17905 1 846 . 1 1 78 78 GLU HA H 1 4.223 0.02 . 1 . . . . 168 GLU HA . 17905 1 847 . 1 1 78 78 GLU HB2 H 1 2.549 0.02 . 2 . . . . 168 GLU HB2 . 17905 1 848 . 1 1 78 78 GLU HB3 H 1 2.175 0.02 . 2 . . . . 168 GLU HB3 . 17905 1 849 . 1 1 78 78 GLU HG2 H 1 2.387 0.02 . 2 . . . . 168 GLU HG2 . 17905 1 850 . 1 1 78 78 GLU C C 13 178.086 0.2 . 1 . . . . 168 GLU C . 17905 1 851 . 1 1 78 78 GLU CA C 13 59.343 0.2 . 1 . . . . 168 GLU CA . 17905 1 852 . 1 1 78 78 GLU CB C 13 29.707 0.2 . 1 . . . . 168 GLU CB . 17905 1 853 . 1 1 78 78 GLU CG C 13 37.941 0.2 . 1 . . . . 168 GLU CG . 17905 1 854 . 1 1 78 78 GLU N N 15 118.139 0.2 . 1 . . . . 168 GLU N . 17905 1 855 . 1 1 79 79 PHE H H 1 8.003 0.02 . 1 . . . . 169 PHE H . 17905 1 856 . 1 1 79 79 PHE HA H 1 3.027 0.02 . 1 . . . . 169 PHE HA . 17905 1 857 . 1 1 79 79 PHE HB2 H 1 3.434 0.02 . 2 . . . . 169 PHE HB2 . 17905 1 858 . 1 1 79 79 PHE HB3 H 1 2.934 0.02 . 2 . . . . 169 PHE HB3 . 17905 1 859 . 1 1 79 79 PHE HD1 H 1 6.754 0.02 . 3 . . . . 169 PHE HD1 . 17905 1 860 . 1 1 79 79 PHE HD2 H 1 6.728 0.02 . 3 . . . . 169 PHE HD2 . 17905 1 861 . 1 1 79 79 PHE HE1 H 1 7.255 0.02 . 3 . . . . 169 PHE HE1 . 17905 1 862 . 1 1 79 79 PHE HE2 H 1 7.211 0.02 . 3 . . . . 169 PHE HE2 . 17905 1 863 . 1 1 79 79 PHE C C 13 177.532 0.2 . 1 . . . . 169 PHE C . 17905 1 864 . 1 1 79 79 PHE CA C 13 61.517 0.2 . 1 . . . . 169 PHE CA . 17905 1 865 . 1 1 79 79 PHE CB C 13 38.273 0.2 . 1 . . . . 169 PHE CB . 17905 1 866 . 1 1 79 79 PHE CD1 C 13 131.738 0.2 . 3 . . . . 169 PHE CD1 . 17905 1 867 . 1 1 79 79 PHE CE2 C 13 130.788 0.2 . 3 . . . . 169 PHE CE2 . 17905 1 868 . 1 1 79 79 PHE N N 15 121.958 0.2 . 1 . . . . 169 PHE N . 17905 1 869 . 1 1 80 80 ILE H H 1 7.986 0.02 . 1 . . . . 170 ILE H . 17905 1 870 . 1 1 80 80 ILE HA H 1 3.550 0.02 . 1 . . . . 170 ILE HA . 17905 1 871 . 1 1 80 80 ILE HB H 1 1.884 0.02 . 1 . . . . 170 ILE HB . 17905 1 872 . 1 1 80 80 ILE HG12 H 1 1.904 0.02 . 2 . . . . 170 ILE HG12 . 17905 1 873 . 1 1 80 80 ILE HG13 H 1 1.330 0.02 . 2 . . . . 170 ILE HG13 . 17905 1 874 . 1 1 80 80 ILE HG21 H 1 0.875 0.02 . 1 . . . . 170 ILE HG2 . 17905 1 875 . 1 1 80 80 ILE HG22 H 1 0.875 0.02 . 1 . . . . 170 ILE HG2 . 17905 1 876 . 1 1 80 80 ILE HG23 H 1 0.875 0.02 . 1 . . . . 170 ILE HG2 . 17905 1 877 . 1 1 80 80 ILE HD11 H 1 0.930 0.02 . 1 . . . . 170 ILE HD1 . 17905 1 878 . 1 1 80 80 ILE HD12 H 1 0.930 0.02 . 1 . . . . 170 ILE HD1 . 17905 1 879 . 1 1 80 80 ILE HD13 H 1 0.930 0.02 . 1 . . . . 170 ILE HD1 . 17905 1 880 . 1 1 80 80 ILE C C 13 178.042 0.2 . 1 . . . . 170 ILE C . 17905 1 881 . 1 1 80 80 ILE CA C 13 64.486 0.2 . 1 . . . . 170 ILE CA . 17905 1 882 . 1 1 80 80 ILE CB C 13 38.392 0.2 . 1 . . . . 170 ILE CB . 17905 1 883 . 1 1 80 80 ILE CG1 C 13 28.853 0.2 . 1 . . . . 170 ILE CG1 . 17905 1 884 . 1 1 80 80 ILE CG2 C 13 16.950 0.2 . 1 . . . . 170 ILE CG2 . 17905 1 885 . 1 1 80 80 ILE CD1 C 13 13.201 0.2 . 1 . . . . 170 ILE CD1 . 17905 1 886 . 1 1 80 80 ILE N N 15 121.813 0.2 . 1 . . . . 170 ILE N . 17905 1 887 . 1 1 81 81 HIS H H 1 7.426 0.02 . 1 . . . . 171 HIS H . 17905 1 888 . 1 1 81 81 HIS HA H 1 4.316 0.02 . 1 . . . . 171 HIS HA . 17905 1 889 . 1 1 81 81 HIS HB2 H 1 3.164 0.02 . 2 . . . . 171 HIS HB2 . 17905 1 890 . 1 1 81 81 HIS HD2 H 1 6.988 0.02 . 1 . . . . 171 HIS HD2 . 17905 1 891 . 1 1 81 81 HIS C C 13 178.900 0.2 . 1 . . . . 171 HIS C . 17905 1 892 . 1 1 81 81 HIS CA C 13 59.676 0.2 . 1 . . . . 171 HIS CA . 17905 1 893 . 1 1 81 81 HIS CB C 13 31.007 0.2 . 1 . . . . 171 HIS CB . 17905 1 894 . 1 1 81 81 HIS CD2 C 13 120.193 0.2 . 1 . . . . 171 HIS CD2 . 17905 1 895 . 1 1 81 81 HIS N N 15 117.607 0.2 . 1 . . . . 171 HIS N . 17905 1 896 . 1 1 82 82 ILE H H 1 8.280 0.02 . 1 . . . . 172 ILE H . 17905 1 897 . 1 1 82 82 ILE HA H 1 4.094 0.02 . 1 . . . . 172 ILE HA . 17905 1 898 . 1 1 82 82 ILE HB H 1 1.983 0.02 . 1 . . . . 172 ILE HB . 17905 1 899 . 1 1 82 82 ILE HG12 H 1 1.395 0.02 . 2 . . . . 172 ILE HG12 . 17905 1 900 . 1 1 82 82 ILE HG13 H 1 1.025 0.02 . 2 . . . . 172 ILE HG13 . 17905 1 901 . 1 1 82 82 ILE HG21 H 1 0.798 0.02 . 1 . . . . 172 ILE HG2 . 17905 1 902 . 1 1 82 82 ILE HG22 H 1 0.798 0.02 . 1 . . . . 172 ILE HG2 . 17905 1 903 . 1 1 82 82 ILE HG23 H 1 0.798 0.02 . 1 . . . . 172 ILE HG2 . 17905 1 904 . 1 1 82 82 ILE HD11 H 1 0.837 0.02 . 1 . . . . 172 ILE HD1 . 17905 1 905 . 1 1 82 82 ILE HD12 H 1 0.837 0.02 . 1 . . . . 172 ILE HD1 . 17905 1 906 . 1 1 82 82 ILE HD13 H 1 0.837 0.02 . 1 . . . . 172 ILE HD1 . 17905 1 907 . 1 1 82 82 ILE C C 13 177.168 0.2 . 1 . . . . 172 ILE C . 17905 1 908 . 1 1 82 82 ILE CA C 13 61.029 0.2 . 1 . . . . 172 ILE CA . 17905 1 909 . 1 1 82 82 ILE CB C 13 37.540 0.2 . 1 . . . . 172 ILE CB . 17905 1 910 . 1 1 82 82 ILE CG1 C 13 29.491 0.2 . 1 . . . . 172 ILE CG1 . 17905 1 911 . 1 1 82 82 ILE CG2 C 13 18.363 0.2 . 1 . . . . 172 ILE CG2 . 17905 1 912 . 1 1 82 82 ILE CD1 C 13 13.626 0.2 . 1 . . . . 172 ILE CD1 . 17905 1 913 . 1 1 82 82 ILE N N 15 118.077 0.2 . 1 . . . . 172 ILE N . 17905 1 914 . 1 1 83 83 ASN H H 1 7.222 0.02 . 1 . . . . 173 ASN H . 17905 1 915 . 1 1 83 83 ASN HA H 1 4.165 0.02 . 1 . . . . 173 ASN HA . 17905 1 916 . 1 1 83 83 ASN HB2 H 1 2.267 0.02 . 2 . . . . 173 ASN HB2 . 17905 1 917 . 1 1 83 83 ASN HB3 H 1 2.200 0.02 . 2 . . . . 173 ASN HB3 . 17905 1 918 . 1 1 83 83 ASN HD21 H 1 6.241 0.02 . 2 . . . . 173 ASN HD21 . 17905 1 919 . 1 1 83 83 ASN HD22 H 1 3.739 0.02 . 2 . . . . 173 ASN HD22 . 17905 1 920 . 1 1 83 83 ASN C C 13 176.495 0.2 . 1 . . . . 173 ASN C . 17905 1 921 . 1 1 83 83 ASN CA C 13 56.855 0.2 . 1 . . . . 173 ASN CA . 17905 1 922 . 1 1 83 83 ASN CB C 13 37.984 0.2 . 1 . . . . 173 ASN CB . 17905 1 923 . 1 1 83 83 ASN N N 15 119.679 0.2 . 1 . . . . 173 ASN N . 17905 1 924 . 1 1 83 83 ASN ND2 N 15 111.026 0.2 . 1 . . . . 173 ASN ND2 . 17905 1 925 . 1 1 84 84 ASN H H 1 7.570 0.02 . 1 . . . . 174 ASN H . 17905 1 926 . 1 1 84 84 ASN HA H 1 4.543 0.02 . 1 . . . . 174 ASN HA . 17905 1 927 . 1 1 84 84 ASN HB2 H 1 2.863 0.02 . 2 . . . . 174 ASN HB2 . 17905 1 928 . 1 1 84 84 ASN HB3 H 1 2.769 0.02 . 2 . . . . 174 ASN HB3 . 17905 1 929 . 1 1 84 84 ASN HD21 H 1 7.687 0.02 . 2 . . . . 174 ASN HD21 . 17905 1 930 . 1 1 84 84 ASN HD22 H 1 6.860 0.02 . 2 . . . . 174 ASN HD22 . 17905 1 931 . 1 1 84 84 ASN C C 13 176.459 0.2 . 1 . . . . 174 ASN C . 17905 1 932 . 1 1 84 84 ASN CA C 13 54.755 0.2 . 1 . . . . 174 ASN CA . 17905 1 933 . 1 1 84 84 ASN CB C 13 38.463 0.2 . 1 . . . . 174 ASN CB . 17905 1 934 . 1 1 84 84 ASN CG C 13 176.298 0.2 . 1 . . . . 174 ASN CG . 17905 1 935 . 1 1 84 84 ASN N N 15 116.831 0.2 . 1 . . . . 174 ASN N . 17905 1 936 . 1 1 84 84 ASN ND2 N 15 113.176 0.2 . 1 . . . . 174 ASN ND2 . 17905 1 937 . 1 1 85 85 LYS H H 1 7.269 0.02 . 1 . . . . 175 LYS H . 17905 1 938 . 1 1 85 85 LYS HA H 1 4.224 0.02 . 1 . . . . 175 LYS HA . 17905 1 939 . 1 1 85 85 LYS HB2 H 1 1.784 0.02 . 2 . . . . 175 LYS HB2 . 17905 1 940 . 1 1 85 85 LYS HG2 H 1 1.390 0.02 . 2 . . . . 175 LYS HG2 . 17905 1 941 . 1 1 85 85 LYS HD2 H 1 1.545 0.02 . 2 . . . . 175 LYS HD2 . 17905 1 942 . 1 1 85 85 LYS HE2 H 1 2.835 0.02 . 2 . . . . 175 LYS HE2 . 17905 1 943 . 1 1 85 85 LYS C C 13 177.298 0.2 . 1 . . . . 175 LYS C . 17905 1 944 . 1 1 85 85 LYS CA C 13 57.098 0.2 . 1 . . . . 175 LYS CA . 17905 1 945 . 1 1 85 85 LYS CB C 13 34.172 0.2 . 1 . . . . 175 LYS CB . 17905 1 946 . 1 1 85 85 LYS CG C 13 24.449 0.2 . 1 . . . . 175 LYS CG . 17905 1 947 . 1 1 85 85 LYS CD C 13 29.285 0.2 . 1 . . . . 175 LYS CD . 17905 1 948 . 1 1 85 85 LYS N N 15 118.668 0.2 . 1 . . . . 175 LYS N . 17905 1 949 . 1 1 86 86 LEU H H 1 7.072 0.02 . 1 . . . . 176 LEU H . 17905 1 950 . 1 1 86 86 LEU HA H 1 4.335 0.02 . 1 . . . . 176 LEU HA . 17905 1 951 . 1 1 86 86 LEU HB2 H 1 1.953 0.02 . 2 . . . . 176 LEU HB2 . 17905 1 952 . 1 1 86 86 LEU HB3 H 1 1.927 0.02 . 2 . . . . 176 LEU HB3 . 17905 1 953 . 1 1 86 86 LEU HG H 1 0.964 0.02 . 1 . . . . 176 LEU HG . 17905 1 954 . 1 1 86 86 LEU HD11 H 1 0.590 0.02 . 2 . . . . 176 LEU HD1 . 17905 1 955 . 1 1 86 86 LEU HD12 H 1 0.590 0.02 . 2 . . . . 176 LEU HD1 . 17905 1 956 . 1 1 86 86 LEU HD13 H 1 0.590 0.02 . 2 . . . . 176 LEU HD1 . 17905 1 957 . 1 1 86 86 LEU HD21 H 1 0.405 0.02 . 2 . . . . 176 LEU HD2 . 17905 1 958 . 1 1 86 86 LEU HD22 H 1 0.405 0.02 . 2 . . . . 176 LEU HD2 . 17905 1 959 . 1 1 86 86 LEU HD23 H 1 0.405 0.02 . 2 . . . . 176 LEU HD2 . 17905 1 960 . 1 1 86 86 LEU C C 13 177.275 0.2 . 1 . . . . 176 LEU C . 17905 1 961 . 1 1 86 86 LEU CA C 13 55.782 0.2 . 1 . . . . 176 LEU CA . 17905 1 962 . 1 1 86 86 LEU CB C 13 42.284 0.2 . 1 . . . . 176 LEU CB . 17905 1 963 . 1 1 86 86 LEU CG C 13 42.310 0.2 . 1 . . . . 176 LEU CG . 17905 1 964 . 1 1 86 86 LEU CD1 C 13 23.678 0.2 . 2 . . . . 176 LEU CD1 . 17905 1 965 . 1 1 86 86 LEU CD2 C 13 24.836 0.2 . 2 . . . . 176 LEU CD2 . 17905 1 966 . 1 1 86 86 LEU N N 15 119.059 0.2 . 1 . . . . 176 LEU N . 17905 1 967 . 1 1 87 87 ARG H H 1 9.231 0.02 . 1 . . . . 177 ARG H . 17905 1 968 . 1 1 87 87 ARG HA H 1 4.615 0.02 . 1 . . . . 177 ARG HA . 17905 1 969 . 1 1 87 87 ARG HB2 H 1 1.811 0.02 . 2 . . . . 177 ARG HB2 . 17905 1 970 . 1 1 87 87 ARG HB3 H 1 1.748 0.02 . 2 . . . . 177 ARG HB3 . 17905 1 971 . 1 1 87 87 ARG HG2 H 1 1.674 0.02 . 2 . . . . 177 ARG HG2 . 17905 1 972 . 1 1 87 87 ARG HG3 H 1 1.621 0.02 . 2 . . . . 177 ARG HG3 . 17905 1 973 . 1 1 87 87 ARG HD2 H 1 3.243 0.02 . 2 . . . . 177 ARG HD2 . 17905 1 974 . 1 1 87 87 ARG HD3 H 1 3.156 0.02 . 2 . . . . 177 ARG HD3 . 17905 1 975 . 1 1 87 87 ARG C C 13 175.186 0.2 . 1 . . . . 177 ARG C . 17905 1 976 . 1 1 87 87 ARG CA C 13 53.716 0.2 . 1 . . . . 177 ARG CA . 17905 1 977 . 1 1 87 87 ARG CB C 13 34.495 0.2 . 1 . . . . 177 ARG CB . 17905 1 978 . 1 1 87 87 ARG CG C 13 26.064 0.2 . 1 . . . . 177 ARG CG . 17905 1 979 . 1 1 87 87 ARG CD C 13 43.569 0.2 . 1 . . . . 177 ARG CD . 17905 1 980 . 1 1 87 87 ARG N N 15 122.571 0.2 . 1 . . . . 177 ARG N . 17905 1 981 . 1 1 88 88 ARG H H 1 8.508 0.02 . 1 . . . . 178 ARG H . 17905 1 982 . 1 1 88 88 ARG HA H 1 3.619 0.02 . 1 . . . . 178 ARG HA . 17905 1 983 . 1 1 88 88 ARG HB2 H 1 1.664 0.02 . 2 . . . . 178 ARG HB2 . 17905 1 984 . 1 1 88 88 ARG HG2 H 1 1.575 0.02 . 2 . . . . 178 ARG HG2 . 17905 1 985 . 1 1 88 88 ARG HG3 H 1 1.359 0.02 . 2 . . . . 178 ARG HG3 . 17905 1 986 . 1 1 88 88 ARG HD2 H 1 3.189 0.02 . 2 . . . . 178 ARG HD2 . 17905 1 987 . 1 1 88 88 ARG C C 13 176.635 0.2 . 1 . . . . 178 ARG C . 17905 1 988 . 1 1 88 88 ARG CA C 13 58.558 0.2 . 1 . . . . 178 ARG CA . 17905 1 989 . 1 1 88 88 ARG CB C 13 29.945 0.2 . 1 . . . . 178 ARG CB . 17905 1 990 . 1 1 88 88 ARG CG C 13 27.404 0.2 . 1 . . . . 178 ARG CG . 17905 1 991 . 1 1 88 88 ARG CD C 13 43.617 0.2 . 1 . . . . 178 ARG CD . 17905 1 992 . 1 1 88 88 ARG N N 15 119.644 0.2 . 1 . . . . 178 ARG N . 17905 1 993 . 1 1 89 89 GLY H H 1 9.249 0.02 . 1 . . . . 179 GLY H . 17905 1 994 . 1 1 89 89 GLY HA2 H 1 4.525 0.02 . 2 . . . . 179 GLY HA2 . 17905 1 995 . 1 1 89 89 GLY HA3 H 1 3.487 0.02 . 2 . . . . 179 GLY HA3 . 17905 1 996 . 1 1 89 89 GLY C C 13 174.303 0.2 . 1 . . . . 179 GLY C . 17905 1 997 . 1 1 89 89 GLY CA C 13 44.800 0.2 . 1 . . . . 179 GLY CA . 17905 1 998 . 1 1 89 89 GLY N N 15 115.866 0.2 . 1 . . . . 179 GLY N . 17905 1 999 . 1 1 90 90 ASP H H 1 7.904 0.02 . 1 . . . . 180 ASP H . 17905 1 1000 . 1 1 90 90 ASP HA H 1 4.539 0.02 . 1 . . . . 180 ASP HA . 17905 1 1001 . 1 1 90 90 ASP HB2 H 1 2.738 0.02 . 2 . . . . 180 ASP HB2 . 17905 1 1002 . 1 1 90 90 ASP HB3 H 1 2.289 0.02 . 2 . . . . 180 ASP HB3 . 17905 1 1003 . 1 1 90 90 ASP C C 13 174.835 0.2 . 1 . . . . 180 ASP C . 17905 1 1004 . 1 1 90 90 ASP CA C 13 55.803 0.2 . 1 . . . . 180 ASP CA . 17905 1 1005 . 1 1 90 90 ASP CB C 13 41.592 0.2 . 1 . . . . 180 ASP CB . 17905 1 1006 . 1 1 90 90 ASP N N 15 122.677 0.2 . 1 . . . . 180 ASP N . 17905 1 1007 . 1 1 91 91 ILE H H 1 8.721 0.02 . 1 . . . . 181 ILE H . 17905 1 1008 . 1 1 91 91 ILE HA H 1 4.588 0.02 . 1 . . . . 181 ILE HA . 17905 1 1009 . 1 1 91 91 ILE HB H 1 1.716 0.02 . 1 . . . . 181 ILE HB . 17905 1 1010 . 1 1 91 91 ILE HG12 H 1 1.572 0.02 . 2 . . . . 181 ILE HG12 . 17905 1 1011 . 1 1 91 91 ILE HG13 H 1 1.086 0.02 . 2 . . . . 181 ILE HG13 . 17905 1 1012 . 1 1 91 91 ILE HG21 H 1 0.671 0.02 . 1 . . . . 181 ILE HG2 . 17905 1 1013 . 1 1 91 91 ILE HG22 H 1 0.671 0.02 . 1 . . . . 181 ILE HG2 . 17905 1 1014 . 1 1 91 91 ILE HG23 H 1 0.671 0.02 . 1 . . . . 181 ILE HG2 . 17905 1 1015 . 1 1 91 91 ILE HD11 H 1 0.821 0.02 . 1 . . . . 181 ILE HD1 . 17905 1 1016 . 1 1 91 91 ILE HD12 H 1 0.821 0.02 . 1 . . . . 181 ILE HD1 . 17905 1 1017 . 1 1 91 91 ILE HD13 H 1 0.821 0.02 . 1 . . . . 181 ILE HD1 . 17905 1 1018 . 1 1 91 91 ILE C C 13 175.618 0.2 . 1 . . . . 181 ILE C . 17905 1 1019 . 1 1 91 91 ILE CA C 13 60.003 0.2 . 1 . . . . 181 ILE CA . 17905 1 1020 . 1 1 91 91 ILE CB C 13 37.019 0.2 . 1 . . . . 181 ILE CB . 17905 1 1021 . 1 1 91 91 ILE CG1 C 13 27.622 0.2 . 1 . . . . 181 ILE CG1 . 17905 1 1022 . 1 1 91 91 ILE CG2 C 13 17.607 0.2 . 1 . . . . 181 ILE CG2 . 17905 1 1023 . 1 1 91 91 ILE CD1 C 13 12.556 0.2 . 1 . . . . 181 ILE CD1 . 17905 1 1024 . 1 1 91 91 ILE N N 15 123.035 0.2 . 1 . . . . 181 ILE N . 17905 1 1025 . 1 1 92 92 ILE H H 1 8.647 0.02 . 1 . . . . 182 ILE H . 17905 1 1026 . 1 1 92 92 ILE HA H 1 5.129 0.02 . 1 . . . . 182 ILE HA . 17905 1 1027 . 1 1 92 92 ILE HB H 1 1.502 0.02 . 1 . . . . 182 ILE HB . 17905 1 1028 . 1 1 92 92 ILE HG12 H 1 1.236 0.02 . 2 . . . . 182 ILE HG12 . 17905 1 1029 . 1 1 92 92 ILE HG13 H 1 0.626 0.02 . 2 . . . . 182 ILE HG13 . 17905 1 1030 . 1 1 92 92 ILE HG21 H 1 0.616 0.02 . 1 . . . . 182 ILE HG2 . 17905 1 1031 . 1 1 92 92 ILE HG22 H 1 0.616 0.02 . 1 . . . . 182 ILE HG2 . 17905 1 1032 . 1 1 92 92 ILE HG23 H 1 0.616 0.02 . 1 . . . . 182 ILE HG2 . 17905 1 1033 . 1 1 92 92 ILE HD11 H 1 0.269 0.02 . 1 . . . . 182 ILE HD1 . 17905 1 1034 . 1 1 92 92 ILE HD12 H 1 0.269 0.02 . 1 . . . . 182 ILE HD1 . 17905 1 1035 . 1 1 92 92 ILE HD13 H 1 0.269 0.02 . 1 . . . . 182 ILE HD1 . 17905 1 1036 . 1 1 92 92 ILE C C 13 173.646 0.2 . 1 . . . . 182 ILE C . 17905 1 1037 . 1 1 92 92 ILE CA C 13 58.178 0.2 . 1 . . . . 182 ILE CA . 17905 1 1038 . 1 1 92 92 ILE CB C 13 41.871 0.2 . 1 . . . . 182 ILE CB . 17905 1 1039 . 1 1 92 92 ILE CG1 C 13 24.475 0.2 . 1 . . . . 182 ILE CG1 . 17905 1 1040 . 1 1 92 92 ILE CG2 C 13 19.901 0.2 . 1 . . . . 182 ILE CG2 . 17905 1 1041 . 1 1 92 92 ILE CD1 C 13 13.017 0.2 . 1 . . . . 182 ILE CD1 . 17905 1 1042 . 1 1 92 92 ILE N N 15 117.592 0.2 . 1 . . . . 182 ILE N . 17905 1 1043 . 1 1 93 93 GLY H H 1 8.894 0.02 . 1 . . . . 183 GLY H . 17905 1 1044 . 1 1 93 93 GLY HA2 H 1 4.430 0.02 . 2 . . . . 183 GLY HA2 . 17905 1 1045 . 1 1 93 93 GLY HA3 H 1 1.700 0.02 . 2 . . . . 183 GLY HA3 . 17905 1 1046 . 1 1 93 93 GLY C C 13 173.013 0.2 . 1 . . . . 183 GLY C . 17905 1 1047 . 1 1 93 93 GLY CA C 13 43.676 0.2 . 1 . . . . 183 GLY CA . 17905 1 1048 . 1 1 93 93 GLY N N 15 107.991 0.2 . 1 . . . . 183 GLY N . 17905 1 1049 . 1 1 94 94 VAL H H 1 9.457 0.02 . 1 . . . . 184 VAL H . 17905 1 1050 . 1 1 94 94 VAL HA H 1 4.486 0.02 . 1 . . . . 184 VAL HA . 17905 1 1051 . 1 1 94 94 VAL HB H 1 1.842 0.02 . 1 . . . . 184 VAL HB . 17905 1 1052 . 1 1 94 94 VAL HG11 H 1 0.743 0.02 . 2 . . . . 184 VAL HG1 . 17905 1 1053 . 1 1 94 94 VAL HG12 H 1 0.743 0.02 . 2 . . . . 184 VAL HG1 . 17905 1 1054 . 1 1 94 94 VAL HG13 H 1 0.743 0.02 . 2 . . . . 184 VAL HG1 . 17905 1 1055 . 1 1 94 94 VAL HG21 H 1 0.656 0.02 . 2 . . . . 184 VAL HG2 . 17905 1 1056 . 1 1 94 94 VAL HG22 H 1 0.656 0.02 . 2 . . . . 184 VAL HG2 . 17905 1 1057 . 1 1 94 94 VAL HG23 H 1 0.656 0.02 . 2 . . . . 184 VAL HG2 . 17905 1 1058 . 1 1 94 94 VAL C C 13 173.353 0.2 . 1 . . . . 184 VAL C . 17905 1 1059 . 1 1 94 94 VAL CA C 13 61.307 0.2 . 1 . . . . 184 VAL CA . 17905 1 1060 . 1 1 94 94 VAL CB C 13 34.617 0.2 . 1 . . . . 184 VAL CB . 17905 1 1061 . 1 1 94 94 VAL CG1 C 13 23.004 0.2 . 2 . . . . 184 VAL CG1 . 17905 1 1062 . 1 1 94 94 VAL CG2 C 13 21.282 0.2 . 2 . . . . 184 VAL CG2 . 17905 1 1063 . 1 1 94 94 VAL N N 15 124.927 0.2 . 1 . . . . 184 VAL N . 17905 1 1064 . 1 1 95 95 GLN H H 1 8.725 0.02 . 1 . . . . 185 GLN H . 17905 1 1065 . 1 1 95 95 GLN HA H 1 5.667 0.02 . 1 . . . . 185 GLN HA . 17905 1 1066 . 1 1 95 95 GLN HB2 H 1 2.395 0.02 . 2 . . . . 185 GLN HB2 . 17905 1 1067 . 1 1 95 95 GLN HB3 H 1 2.047 0.02 . 2 . . . . 185 GLN HB3 . 17905 1 1068 . 1 1 95 95 GLN HG2 H 1 2.148 0.02 . 2 . . . . 185 GLN HG2 . 17905 1 1069 . 1 1 95 95 GLN HG3 H 1 2.048 0.02 . 2 . . . . 185 GLN HG3 . 17905 1 1070 . 1 1 95 95 GLN HE21 H 1 7.498 0.02 . 2 . . . . 185 GLN HE21 . 17905 1 1071 . 1 1 95 95 GLN HE22 H 1 6.995 0.02 . 2 . . . . 185 GLN HE22 . 17905 1 1072 . 1 1 95 95 GLN C C 13 176.875 0.2 . 1 . . . . 185 GLN C . 17905 1 1073 . 1 1 95 95 GLN CA C 13 53.240 0.2 . 1 . . . . 185 GLN CA . 17905 1 1074 . 1 1 95 95 GLN CB C 13 31.549 0.2 . 1 . . . . 185 GLN CB . 17905 1 1075 . 1 1 95 95 GLN CG C 13 34.355 0.2 . 1 . . . . 185 GLN CG . 17905 1 1076 . 1 1 95 95 GLN CD C 13 178.435 0.2 . 1 . . . . 185 GLN CD . 17905 1 1077 . 1 1 95 95 GLN N N 15 127.593 0.2 . 1 . . . . 185 GLN N . 17905 1 1078 . 1 1 95 95 GLN NE2 N 15 113.487 0.2 . 1 . . . . 185 GLN NE2 . 17905 1 1079 . 1 1 96 96 GLY H H 1 9.726 0.02 . 1 . . . . 186 GLY H . 17905 1 1080 . 1 1 96 96 GLY HA2 H 1 4.574 0.02 . 2 . . . . 186 GLY HA2 . 17905 1 1081 . 1 1 96 96 GLY HA3 H 1 4.406 0.02 . 2 . . . . 186 GLY HA3 . 17905 1 1082 . 1 1 96 96 GLY C C 13 170.547 0.2 . 1 . . . . 186 GLY C . 17905 1 1083 . 1 1 96 96 GLY CA C 13 47.132 0.2 . 1 . . . . 186 GLY CA . 17905 1 1084 . 1 1 96 96 GLY N N 15 115.993 0.2 . 1 . . . . 186 GLY N . 17905 1 1085 . 1 1 97 97 ASN H H 1 8.388 0.02 . 1 . . . . 187 ASN H . 17905 1 1086 . 1 1 97 97 ASN HA H 1 6.115 0.02 . 1 . . . . 187 ASN HA . 17905 1 1087 . 1 1 97 97 ASN HB2 H 1 3.752 0.02 . 2 . . . . 187 ASN HB2 . 17905 1 1088 . 1 1 97 97 ASN HB3 H 1 2.313 0.02 . 2 . . . . 187 ASN HB3 . 17905 1 1089 . 1 1 97 97 ASN HD21 H 1 8.175 0.02 . 2 . . . . 187 ASN HD21 . 17905 1 1090 . 1 1 97 97 ASN HD22 H 1 6.838 0.02 . 2 . . . . 187 ASN HD22 . 17905 1 1091 . 1 1 97 97 ASN CA C 13 50.470 0.2 . 1 . . . . 187 ASN CA . 17905 1 1092 . 1 1 97 97 ASN CB C 13 43.194 0.2 . 1 . . . . 187 ASN CB . 17905 1 1093 . 1 1 97 97 ASN CG C 13 177.185 0.2 . 1 . . . . 187 ASN CG . 17905 1 1094 . 1 1 97 97 ASN N N 15 116.524 0.2 . 1 . . . . 187 ASN N . 17905 1 1095 . 1 1 97 97 ASN ND2 N 15 112.257 0.2 . 1 . . . . 187 ASN ND2 . 17905 1 1096 . 1 1 98 98 PRO HA H 1 4.984 0.02 . 1 . . . . 188 PRO HA . 17905 1 1097 . 1 1 98 98 PRO HB2 H 1 1.463 0.02 . 2 . . . . 188 PRO HB2 . 17905 1 1098 . 1 1 98 98 PRO HB3 H 1 1.264 0.02 . 2 . . . . 188 PRO HB3 . 17905 1 1099 . 1 1 98 98 PRO HG2 H 1 1.273 0.02 . 2 . . . . 188 PRO HG2 . 17905 1 1100 . 1 1 98 98 PRO HG3 H 1 1.115 0.02 . 2 . . . . 188 PRO HG3 . 17905 1 1101 . 1 1 98 98 PRO HD2 H 1 4.022 0.02 . 2 . . . . 188 PRO HD2 . 17905 1 1102 . 1 1 98 98 PRO HD3 H 1 3.810 0.02 . 2 . . . . 188 PRO HD3 . 17905 1 1103 . 1 1 98 98 PRO C C 13 175.300 0.2 . 1 . . . . 188 PRO C . 17905 1 1104 . 1 1 98 98 PRO CA C 13 62.427 0.2 . 1 . . . . 188 PRO CA . 17905 1 1105 . 1 1 98 98 PRO CB C 13 32.653 0.2 . 1 . . . . 188 PRO CB . 17905 1 1106 . 1 1 98 98 PRO CG C 13 27.348 0.2 . 1 . . . . 188 PRO CG . 17905 1 1107 . 1 1 98 98 PRO CD C 13 50.579 0.2 . 1 . . . . 188 PRO CD . 17905 1 1108 . 1 1 99 99 GLY H H 1 8.445 0.02 . 1 . . . . 189 GLY H . 17905 1 1109 . 1 1 99 99 GLY HA2 H 1 4.129 0.02 . 2 . . . . 189 GLY HA2 . 17905 1 1110 . 1 1 99 99 GLY HA3 H 1 3.699 0.02 . 2 . . . . 189 GLY HA3 . 17905 1 1111 . 1 1 99 99 GLY C C 13 170.640 0.2 . 1 . . . . 189 GLY C . 17905 1 1112 . 1 1 99 99 GLY CA C 13 46.020 0.2 . 1 . . . . 189 GLY CA . 17905 1 1113 . 1 1 99 99 GLY N N 15 109.168 0.2 . 1 . . . . 189 GLY N . 17905 1 1114 . 1 1 100 100 LYS H H 1 8.673 0.02 . 1 . . . . 190 LYS H . 17905 1 1115 . 1 1 100 100 LYS HA H 1 5.168 0.02 . 1 . . . . 190 LYS HA . 17905 1 1116 . 1 1 100 100 LYS HB2 H 1 1.686 0.02 . 2 . . . . 190 LYS HB2 . 17905 1 1117 . 1 1 100 100 LYS HG2 H 1 1.421 0.02 . 2 . . . . 190 LYS HG2 . 17905 1 1118 . 1 1 100 100 LYS HG3 H 1 1.014 0.02 . 2 . . . . 190 LYS HG3 . 17905 1 1119 . 1 1 100 100 LYS HD2 H 1 1.329 0.02 . 2 . . . . 190 LYS HD2 . 17905 1 1120 . 1 1 100 100 LYS HD3 H 1 1.125 0.02 . 2 . . . . 190 LYS HD3 . 17905 1 1121 . 1 1 100 100 LYS HE2 H 1 2.839 0.02 . 2 . . . . 190 LYS HE2 . 17905 1 1122 . 1 1 100 100 LYS HE3 H 1 2.663 0.02 . 2 . . . . 190 LYS HE3 . 17905 1 1123 . 1 1 100 100 LYS C C 13 177.672 0.2 . 1 . . . . 190 LYS C . 17905 1 1124 . 1 1 100 100 LYS CA C 13 55.410 0.2 . 1 . . . . 190 LYS CA . 17905 1 1125 . 1 1 100 100 LYS CB C 13 37.439 0.2 . 1 . . . . 190 LYS CB . 17905 1 1126 . 1 1 100 100 LYS CG C 13 26.276 0.2 . 1 . . . . 190 LYS CG . 17905 1 1127 . 1 1 100 100 LYS CD C 13 28.952 0.2 . 1 . . . . 190 LYS CD . 17905 1 1128 . 1 1 100 100 LYS N N 15 118.876 0.2 . 1 . . . . 190 LYS N . 17905 1 1129 . 1 1 101 101 THR H H 1 8.339 0.02 . 1 . . . . 191 THR H . 17905 1 1130 . 1 1 101 101 THR HA H 1 4.471 0.02 . 1 . . . . 191 THR HA . 17905 1 1131 . 1 1 101 101 THR HB H 1 4.937 0.02 . 1 . . . . 191 THR HB . 17905 1 1132 . 1 1 101 101 THR HG21 H 1 1.568 0.02 . 1 . . . . 191 THR HG2 . 17905 1 1133 . 1 1 101 101 THR HG22 H 1 1.568 0.02 . 1 . . . . 191 THR HG2 . 17905 1 1134 . 1 1 101 101 THR HG23 H 1 1.568 0.02 . 1 . . . . 191 THR HG2 . 17905 1 1135 . 1 1 101 101 THR CA C 13 61.391 0.2 . 1 . . . . 191 THR CA . 17905 1 1136 . 1 1 101 101 THR CB C 13 71.531 0.2 . 1 . . . . 191 THR CB . 17905 1 1137 . 1 1 101 101 THR CG2 C 13 22.662 0.2 . 1 . . . . 191 THR CG2 . 17905 1 1138 . 1 1 101 101 THR N N 15 114.992 0.2 . 1 . . . . 191 THR N . 17905 1 1139 . 1 1 103 103 LYS HA H 1 4.294 0.02 . 1 . . . . 193 LYS HA . 17905 1 1140 . 1 1 103 103 LYS HB2 H 1 1.912 0.02 . 2 . . . . 193 LYS HB2 . 17905 1 1141 . 1 1 103 103 LYS HB3 H 1 1.603 0.02 . 2 . . . . 193 LYS HB3 . 17905 1 1142 . 1 1 103 103 LYS HG2 H 1 1.464 0.02 . 2 . . . . 193 LYS HG2 . 17905 1 1143 . 1 1 103 103 LYS HG3 H 1 1.406 0.02 . 2 . . . . 193 LYS HG3 . 17905 1 1144 . 1 1 103 103 LYS HD2 H 1 1.609 0.02 . 2 . . . . 193 LYS HD2 . 17905 1 1145 . 1 1 103 103 LYS HE2 H 1 2.920 0.02 . 2 . . . . 193 LYS HE2 . 17905 1 1146 . 1 1 103 103 LYS C C 13 176.668 0.2 . 1 . . . . 193 LYS C . 17905 1 1147 . 1 1 103 103 LYS CA C 13 56.384 0.2 . 1 . . . . 193 LYS CA . 17905 1 1148 . 1 1 103 103 LYS CB C 13 32.541 0.2 . 1 . . . . 193 LYS CB . 17905 1 1149 . 1 1 103 103 LYS CG C 13 25.401 0.2 . 1 . . . . 193 LYS CG . 17905 1 1150 . 1 1 103 103 LYS CD C 13 29.027 0.2 . 1 . . . . 193 LYS CD . 17905 1 1151 . 1 1 103 103 LYS CE C 13 41.963 0.2 . 1 . . . . 193 LYS CE . 17905 1 1152 . 1 1 104 104 GLY H H 1 8.097 0.02 . 1 . . . . 194 GLY H . 17905 1 1153 . 1 1 104 104 GLY HA2 H 1 4.399 0.02 . 2 . . . . 194 GLY HA2 . 17905 1 1154 . 1 1 104 104 GLY HA3 H 1 3.242 0.02 . 2 . . . . 194 GLY HA3 . 17905 1 1155 . 1 1 104 104 GLY C C 13 173.532 0.2 . 1 . . . . 194 GLY C . 17905 1 1156 . 1 1 104 104 GLY CA C 13 45.401 0.2 . 1 . . . . 194 GLY CA . 17905 1 1157 . 1 1 104 104 GLY N N 15 107.378 0.2 . 1 . . . . 194 GLY N . 17905 1 1158 . 1 1 105 105 GLU H H 1 7.422 0.02 . 1 . . . . 195 GLU H . 17905 1 1159 . 1 1 105 105 GLU HA H 1 4.417 0.02 . 1 . . . . 195 GLU HA . 17905 1 1160 . 1 1 105 105 GLU HB2 H 1 1.984 0.02 . 2 . . . . 195 GLU HB2 . 17905 1 1161 . 1 1 105 105 GLU HB3 H 1 1.829 0.02 . 2 . . . . 195 GLU HB3 . 17905 1 1162 . 1 1 105 105 GLU HG2 H 1 2.106 0.02 . 2 . . . . 195 GLU HG2 . 17905 1 1163 . 1 1 105 105 GLU HG3 H 1 1.923 0.02 . 2 . . . . 195 GLU HG3 . 17905 1 1164 . 1 1 105 105 GLU C C 13 177.186 0.2 . 1 . . . . 195 GLU C . 17905 1 1165 . 1 1 105 105 GLU CA C 13 55.464 0.2 . 1 . . . . 195 GLU CA . 17905 1 1166 . 1 1 105 105 GLU CB C 13 30.078 0.2 . 1 . . . . 195 GLU CB . 17905 1 1167 . 1 1 105 105 GLU CG C 13 35.331 0.2 . 1 . . . . 195 GLU CG . 17905 1 1168 . 1 1 105 105 GLU N N 15 119.648 0.2 . 1 . . . . 195 GLU N . 17905 1 1169 . 1 1 106 106 LEU H H 1 9.424 0.02 . 1 . . . . 196 LEU H . 17905 1 1170 . 1 1 106 106 LEU HA H 1 4.461 0.02 . 1 . . . . 196 LEU HA . 17905 1 1171 . 1 1 106 106 LEU HB2 H 1 2.030 0.02 . 2 . . . . 196 LEU HB2 . 17905 1 1172 . 1 1 106 106 LEU HB3 H 1 1.601 0.02 . 2 . . . . 196 LEU HB3 . 17905 1 1173 . 1 1 106 106 LEU HG H 1 1.888 0.02 . 1 . . . . 196 LEU HG . 17905 1 1174 . 1 1 106 106 LEU HD11 H 1 1.204 0.02 . 2 . . . . 196 LEU HD1 . 17905 1 1175 . 1 1 106 106 LEU HD12 H 1 1.204 0.02 . 2 . . . . 196 LEU HD1 . 17905 1 1176 . 1 1 106 106 LEU HD13 H 1 1.204 0.02 . 2 . . . . 196 LEU HD1 . 17905 1 1177 . 1 1 106 106 LEU HD21 H 1 1.138 0.02 . 2 . . . . 196 LEU HD2 . 17905 1 1178 . 1 1 106 106 LEU HD22 H 1 1.138 0.02 . 2 . . . . 196 LEU HD2 . 17905 1 1179 . 1 1 106 106 LEU HD23 H 1 1.138 0.02 . 2 . . . . 196 LEU HD2 . 17905 1 1180 . 1 1 106 106 LEU C C 13 175.524 0.2 . 1 . . . . 196 LEU C . 17905 1 1181 . 1 1 106 106 LEU CA C 13 57.113 0.2 . 1 . . . . 196 LEU CA . 17905 1 1182 . 1 1 106 106 LEU CB C 13 41.477 0.2 . 1 . . . . 196 LEU CB . 17905 1 1183 . 1 1 106 106 LEU CG C 13 27.843 0.2 . 1 . . . . 196 LEU CG . 17905 1 1184 . 1 1 106 106 LEU CD1 C 13 27.865 0.2 . 2 . . . . 196 LEU CD1 . 17905 1 1185 . 1 1 106 106 LEU CD2 C 13 24.070 0.2 . 2 . . . . 196 LEU CD2 . 17905 1 1186 . 1 1 106 106 LEU N N 15 132.942 0.2 . 1 . . . . 196 LEU N . 17905 1 1187 . 1 1 107 107 SER H H 1 9.363 0.02 . 1 . . . . 197 SER H . 17905 1 1188 . 1 1 107 107 SER HA H 1 6.134 0.02 . 1 . . . . 197 SER HA . 17905 1 1189 . 1 1 107 107 SER HB2 H 1 3.670 0.02 . 2 . . . . 197 SER HB2 . 17905 1 1190 . 1 1 107 107 SER HB3 H 1 3.300 0.02 . 2 . . . . 197 SER HB3 . 17905 1 1191 . 1 1 107 107 SER C C 13 171.357 0.2 . 1 . . . . 197 SER C . 17905 1 1192 . 1 1 107 107 SER CA C 13 56.977 0.2 . 1 . . . . 197 SER CA . 17905 1 1193 . 1 1 107 107 SER CB C 13 68.801 0.2 . 1 . . . . 197 SER CB . 17905 1 1194 . 1 1 107 107 SER N N 15 121.540 0.2 . 1 . . . . 197 SER N . 17905 1 1195 . 1 1 108 108 ILE H H 1 8.553 0.02 . 1 . . . . 198 ILE H . 17905 1 1196 . 1 1 108 108 ILE HA H 1 5.122 0.02 . 1 . . . . 198 ILE HA . 17905 1 1197 . 1 1 108 108 ILE HB H 1 1.274 0.02 . 1 . . . . 198 ILE HB . 17905 1 1198 . 1 1 108 108 ILE HG12 H 1 1.312 0.02 . 2 . . . . 198 ILE HG12 . 17905 1 1199 . 1 1 108 108 ILE HG13 H 1 0.454 0.02 . 2 . . . . 198 ILE HG13 . 17905 1 1200 . 1 1 108 108 ILE HG21 H 1 0.649 0.02 . 1 . . . . 198 ILE HG2 . 17905 1 1201 . 1 1 108 108 ILE HG22 H 1 0.649 0.02 . 1 . . . . 198 ILE HG2 . 17905 1 1202 . 1 1 108 108 ILE HG23 H 1 0.649 0.02 . 1 . . . . 198 ILE HG2 . 17905 1 1203 . 1 1 108 108 ILE HD11 H 1 0.572 0.02 . 1 . . . . 198 ILE HD1 . 17905 1 1204 . 1 1 108 108 ILE HD12 H 1 0.572 0.02 . 1 . . . . 198 ILE HD1 . 17905 1 1205 . 1 1 108 108 ILE HD13 H 1 0.572 0.02 . 1 . . . . 198 ILE HD1 . 17905 1 1206 . 1 1 108 108 ILE C C 13 173.461 0.2 . 1 . . . . 198 ILE C . 17905 1 1207 . 1 1 108 108 ILE CA C 13 58.355 0.2 . 1 . . . . 198 ILE CA . 17905 1 1208 . 1 1 108 108 ILE CB C 13 42.339 0.2 . 1 . . . . 198 ILE CB . 17905 1 1209 . 1 1 108 108 ILE CG1 C 13 29.605 0.2 . 1 . . . . 198 ILE CG1 . 17905 1 1210 . 1 1 108 108 ILE CG2 C 13 16.618 0.2 . 1 . . . . 198 ILE CG2 . 17905 1 1211 . 1 1 108 108 ILE CD1 C 13 14.753 0.2 . 1 . . . . 198 ILE CD1 . 17905 1 1212 . 1 1 108 108 ILE N N 15 118.334 0.2 . 1 . . . . 198 ILE N . 17905 1 1213 . 1 1 109 109 ILE H H 1 9.223 0.02 . 1 . . . . 199 ILE H . 17905 1 1214 . 1 1 109 109 ILE HA H 1 4.944 0.02 . 1 . . . . 199 ILE HA . 17905 1 1215 . 1 1 109 109 ILE HB H 1 1.656 0.02 . 1 . . . . 199 ILE HB . 17905 1 1216 . 1 1 109 109 ILE HG12 H 1 1.243 0.02 . 2 . . . . 199 ILE HG12 . 17905 1 1217 . 1 1 109 109 ILE HG13 H 1 0.932 0.02 . 2 . . . . 199 ILE HG13 . 17905 1 1218 . 1 1 109 109 ILE HG21 H 1 0.905 0.02 . 1 . . . . 199 ILE HG2 . 17905 1 1219 . 1 1 109 109 ILE HG22 H 1 0.905 0.02 . 1 . . . . 199 ILE HG2 . 17905 1 1220 . 1 1 109 109 ILE HG23 H 1 0.905 0.02 . 1 . . . . 199 ILE HG2 . 17905 1 1221 . 1 1 109 109 ILE HD11 H 1 0.246 0.02 . 1 . . . . 199 ILE HD1 . 17905 1 1222 . 1 1 109 109 ILE HD12 H 1 0.246 0.02 . 1 . . . . 199 ILE HD1 . 17905 1 1223 . 1 1 109 109 ILE HD13 H 1 0.246 0.02 . 1 . . . . 199 ILE HD1 . 17905 1 1224 . 1 1 109 109 ILE CA C 13 58.477 0.2 . 1 . . . . 199 ILE CA . 17905 1 1225 . 1 1 109 109 ILE CB C 13 39.306 0.2 . 1 . . . . 199 ILE CB . 17905 1 1226 . 1 1 109 109 ILE CG1 C 13 28.976 0.2 . 1 . . . . 199 ILE CG1 . 17905 1 1227 . 1 1 109 109 ILE CG2 C 13 18.438 0.2 . 1 . . . . 199 ILE CG2 . 17905 1 1228 . 1 1 109 109 ILE CD1 C 13 13.084 0.2 . 1 . . . . 199 ILE CD1 . 17905 1 1229 . 1 1 109 109 ILE N N 15 132.404 0.2 . 1 . . . . 199 ILE N . 17905 1 1230 . 1 1 110 110 PRO HA H 1 4.566 0.02 . 1 . . . . 200 PRO HA . 17905 1 1231 . 1 1 110 110 PRO HB2 H 1 2.039 0.02 . 2 . . . . 200 PRO HB2 . 17905 1 1232 . 1 1 110 110 PRO HB3 H 1 1.932 0.02 . 2 . . . . 200 PRO HB3 . 17905 1 1233 . 1 1 110 110 PRO HG2 H 1 2.406 0.02 . 2 . . . . 200 PRO HG2 . 17905 1 1234 . 1 1 110 110 PRO HG3 H 1 1.686 0.02 . 2 . . . . 200 PRO HG3 . 17905 1 1235 . 1 1 110 110 PRO HD2 H 1 4.568 0.02 . 2 . . . . 200 PRO HD2 . 17905 1 1236 . 1 1 110 110 PRO HD3 H 1 3.891 0.02 . 2 . . . . 200 PRO HD3 . 17905 1 1237 . 1 1 110 110 PRO C C 13 175.510 0.2 . 1 . . . . 200 PRO C . 17905 1 1238 . 1 1 110 110 PRO CA C 13 63.382 0.2 . 1 . . . . 200 PRO CA . 17905 1 1239 . 1 1 110 110 PRO CB C 13 33.281 0.2 . 1 . . . . 200 PRO CB . 17905 1 1240 . 1 1 110 110 PRO CG C 13 27.107 0.2 . 1 . . . . 200 PRO CG . 17905 1 1241 . 1 1 110 110 PRO CD C 13 51.437 0.2 . 1 . . . . 200 PRO CD . 17905 1 1242 . 1 1 111 111 TYR H H 1 9.861 0.02 . 1 . . . . 201 TYR H . 17905 1 1243 . 1 1 111 111 TYR HA H 1 4.729 0.02 . 1 . . . . 201 TYR HA . 17905 1 1244 . 1 1 111 111 TYR HB2 H 1 3.345 0.02 . 2 . . . . 201 TYR HB2 . 17905 1 1245 . 1 1 111 111 TYR HB3 H 1 2.508 0.02 . 2 . . . . 201 TYR HB3 . 17905 1 1246 . 1 1 111 111 TYR HD1 H 1 7.057 0.02 . 3 . . . . 201 TYR HD1 . 17905 1 1247 . 1 1 111 111 TYR HE1 H 1 6.812 0.02 . 3 . . . . 201 TYR HE1 . 17905 1 1248 . 1 1 111 111 TYR C C 13 173.735 0.2 . 1 . . . . 201 TYR C . 17905 1 1249 . 1 1 111 111 TYR CA C 13 59.503 0.2 . 1 . . . . 201 TYR CA . 17905 1 1250 . 1 1 111 111 TYR CB C 13 41.100 0.2 . 1 . . . . 201 TYR CB . 17905 1 1251 . 1 1 111 111 TYR CD1 C 13 133.264 0.2 . 3 . . . . 201 TYR CD1 . 17905 1 1252 . 1 1 111 111 TYR CE1 C 13 118.200 0.2 . 3 . . . . 201 TYR CE1 . 17905 1 1253 . 1 1 111 111 TYR N N 15 124.734 0.2 . 1 . . . . 201 TYR N . 17905 1 1254 . 1 1 112 112 GLU H H 1 7.624 0.02 . 1 . . . . 202 GLU H . 17905 1 1255 . 1 1 112 112 GLU HA H 1 3.995 0.02 . 1 . . . . 202 GLU HA . 17905 1 1256 . 1 1 112 112 GLU HB2 H 1 1.880 0.02 . 2 . . . . 202 GLU HB2 . 17905 1 1257 . 1 1 112 112 GLU HB3 H 1 1.720 0.02 . 2 . . . . 202 GLU HB3 . 17905 1 1258 . 1 1 112 112 GLU HG2 H 1 2.126 0.02 . 2 . . . . 202 GLU HG2 . 17905 1 1259 . 1 1 112 112 GLU HG3 H 1 1.978 0.02 . 2 . . . . 202 GLU HG3 . 17905 1 1260 . 1 1 112 112 GLU C C 13 174.406 0.2 . 1 . . . . 202 GLU C . 17905 1 1261 . 1 1 112 112 GLU CA C 13 56.988 0.2 . 1 . . . . 202 GLU CA . 17905 1 1262 . 1 1 112 112 GLU CB C 13 34.237 0.2 . 1 . . . . 202 GLU CB . 17905 1 1263 . 1 1 112 112 GLU CG C 13 37.230 0.2 . 1 . . . . 202 GLU CG . 17905 1 1264 . 1 1 112 112 GLU N N 15 113.341 0.2 . 1 . . . . 202 GLU N . 17905 1 1265 . 1 1 113 113 ILE H H 1 8.924 0.02 . 1 . . . . 203 ILE H . 17905 1 1266 . 1 1 113 113 ILE HA H 1 4.805 0.02 . 1 . . . . 203 ILE HA . 17905 1 1267 . 1 1 113 113 ILE HB H 1 1.713 0.02 . 1 . . . . 203 ILE HB . 17905 1 1268 . 1 1 113 113 ILE HG12 H 1 1.784 0.02 . 2 . . . . 203 ILE HG12 . 17905 1 1269 . 1 1 113 113 ILE HG13 H 1 0.897 0.02 . 2 . . . . 203 ILE HG13 . 17905 1 1270 . 1 1 113 113 ILE HG21 H 1 0.711 0.02 . 1 . . . . 203 ILE HG2 . 17905 1 1271 . 1 1 113 113 ILE HG22 H 1 0.711 0.02 . 1 . . . . 203 ILE HG2 . 17905 1 1272 . 1 1 113 113 ILE HG23 H 1 0.711 0.02 . 1 . . . . 203 ILE HG2 . 17905 1 1273 . 1 1 113 113 ILE HD11 H 1 0.653 0.02 . 1 . . . . 203 ILE HD1 . 17905 1 1274 . 1 1 113 113 ILE HD12 H 1 0.653 0.02 . 1 . . . . 203 ILE HD1 . 17905 1 1275 . 1 1 113 113 ILE HD13 H 1 0.653 0.02 . 1 . . . . 203 ILE HD1 . 17905 1 1276 . 1 1 113 113 ILE C C 13 173.499 0.2 . 1 . . . . 203 ILE C . 17905 1 1277 . 1 1 113 113 ILE CA C 13 60.509 0.2 . 1 . . . . 203 ILE CA . 17905 1 1278 . 1 1 113 113 ILE CB C 13 40.905 0.2 . 1 . . . . 203 ILE CB . 17905 1 1279 . 1 1 113 113 ILE CG1 C 13 29.075 0.2 . 1 . . . . 203 ILE CG1 . 17905 1 1280 . 1 1 113 113 ILE CG2 C 13 19.003 0.2 . 1 . . . . 203 ILE CG2 . 17905 1 1281 . 1 1 113 113 ILE CD1 C 13 12.941 0.2 . 1 . . . . 203 ILE CD1 . 17905 1 1282 . 1 1 113 113 ILE N N 15 130.104 0.2 . 1 . . . . 203 ILE N . 17905 1 1283 . 1 1 114 114 THR H H 1 9.153 0.02 . 1 . . . . 204 THR H . 17905 1 1284 . 1 1 114 114 THR HA H 1 4.392 0.02 . 1 . . . . 204 THR HA . 17905 1 1285 . 1 1 114 114 THR HB H 1 3.389 0.02 . 1 . . . . 204 THR HB . 17905 1 1286 . 1 1 114 114 THR HG21 H 1 1.133 0.02 . 1 . . . . 204 THR HG2 . 17905 1 1287 . 1 1 114 114 THR HG22 H 1 1.133 0.02 . 1 . . . . 204 THR HG2 . 17905 1 1288 . 1 1 114 114 THR HG23 H 1 1.133 0.02 . 1 . . . . 204 THR HG2 . 17905 1 1289 . 1 1 114 114 THR C C 13 173.173 0.2 . 1 . . . . 204 THR C . 17905 1 1290 . 1 1 114 114 THR CA C 13 61.321 0.2 . 1 . . . . 204 THR CA . 17905 1 1291 . 1 1 114 114 THR CB C 13 71.444 0.2 . 1 . . . . 204 THR CB . 17905 1 1292 . 1 1 114 114 THR CG2 C 13 21.538 0.2 . 1 . . . . 204 THR CG2 . 17905 1 1293 . 1 1 114 114 THR N N 15 123.679 0.2 . 1 . . . . 204 THR N . 17905 1 1294 . 1 1 115 115 LEU H H 1 8.954 0.02 . 1 . . . . 205 LEU H . 17905 1 1295 . 1 1 115 115 LEU HA H 1 4.331 0.02 . 1 . . . . 205 LEU HA . 17905 1 1296 . 1 1 115 115 LEU HB2 H 1 1.719 0.02 . 2 . . . . 205 LEU HB2 . 17905 1 1297 . 1 1 115 115 LEU HB3 H 1 1.301 0.02 . 2 . . . . 205 LEU HB3 . 17905 1 1298 . 1 1 115 115 LEU HG H 1 1.421 0.02 . 1 . . . . 205 LEU HG . 17905 1 1299 . 1 1 115 115 LEU HD11 H 1 0.820 0.02 . 2 . . . . 205 LEU HD1 . 17905 1 1300 . 1 1 115 115 LEU HD12 H 1 0.820 0.02 . 2 . . . . 205 LEU HD1 . 17905 1 1301 . 1 1 115 115 LEU HD13 H 1 0.820 0.02 . 2 . . . . 205 LEU HD1 . 17905 1 1302 . 1 1 115 115 LEU CA C 13 56.136 0.2 . 1 . . . . 205 LEU CA . 17905 1 1303 . 1 1 115 115 LEU CB C 13 42.640 0.2 . 1 . . . . 205 LEU CB . 17905 1 1304 . 1 1 115 115 LEU CG C 13 27.774 0.2 . 1 . . . . 205 LEU CG . 17905 1 1305 . 1 1 115 115 LEU CD1 C 13 25.626 0.2 . 2 . . . . 205 LEU CD1 . 17905 1 1306 . 1 1 115 115 LEU N N 15 130.119 0.2 . 1 . . . . 205 LEU N . 17905 1 1307 . 1 1 122 122 MET HA H 1 4.390 0.02 . 1 . . . . 212 MET HA . 17905 1 1308 . 1 1 122 122 MET HB2 H 1 2.055 0.02 . 2 . . . . 212 MET HB2 . 17905 1 1309 . 1 1 122 122 MET HG2 H 1 2.563 0.02 . 2 . . . . 212 MET HG2 . 17905 1 1310 . 1 1 122 122 MET HG3 H 1 2.457 0.02 . 2 . . . . 212 MET HG3 . 17905 1 1311 . 1 1 122 122 MET C C 13 175.908 0.2 . 1 . . . . 212 MET C . 17905 1 1312 . 1 1 122 122 MET CA C 13 56.230 0.2 . 1 . . . . 212 MET CA . 17905 1 1313 . 1 1 122 122 MET CB C 13 33.056 0.2 . 1 . . . . 212 MET CB . 17905 1 1314 . 1 1 122 122 MET CG C 13 32.674 0.2 . 1 . . . . 212 MET CG . 17905 1 1315 . 1 1 123 123 LEU H H 1 8.249 0.02 . 1 . . . . 213 LEU H . 17905 1 1316 . 1 1 123 123 LEU HA H 1 4.622 0.02 . 1 . . . . 213 LEU HA . 17905 1 1317 . 1 1 123 123 LEU HB2 H 1 1.506 0.02 . 2 . . . . 213 LEU HB2 . 17905 1 1318 . 1 1 123 123 LEU HG H 1 1.617 0.02 . 1 . . . . 213 LEU HG . 17905 1 1319 . 1 1 123 123 LEU HD11 H 1 0.865 0.02 . 2 . . . . 213 LEU HD1 . 17905 1 1320 . 1 1 123 123 LEU HD12 H 1 0.865 0.02 . 2 . . . . 213 LEU HD1 . 17905 1 1321 . 1 1 123 123 LEU HD13 H 1 0.865 0.02 . 2 . . . . 213 LEU HD1 . 17905 1 1322 . 1 1 123 123 LEU CA C 13 52.924 0.2 . 1 . . . . 213 LEU CA . 17905 1 1323 . 1 1 123 123 LEU CB C 13 41.568 0.2 . 1 . . . . 213 LEU CB . 17905 1 1324 . 1 1 123 123 LEU CG C 13 27.111 0.2 . 1 . . . . 213 LEU CG . 17905 1 1325 . 1 1 123 123 LEU CD1 C 13 23.345 0.2 . 2 . . . . 213 LEU CD1 . 17905 1 1326 . 1 1 123 123 LEU N N 15 125.521 0.2 . 1 . . . . 213 LEU N . 17905 1 1327 . 1 1 124 124 PRO HA H 1 4.426 0.02 . 1 . . . . 214 PRO HA . 17905 1 1328 . 1 1 124 124 PRO HB2 H 1 2.250 0.02 . 2 . . . . 214 PRO HB2 . 17905 1 1329 . 1 1 124 124 PRO HB3 H 1 1.862 0.02 . 2 . . . . 214 PRO HB3 . 17905 1 1330 . 1 1 124 124 PRO HG2 H 1 1.996 0.02 . 2 . . . . 214 PRO HG2 . 17905 1 1331 . 1 1 124 124 PRO HD2 H 1 3.790 0.02 . 2 . . . . 214 PRO HD2 . 17905 1 1332 . 1 1 124 124 PRO HD3 H 1 3.640 0.02 . 2 . . . . 214 PRO HD3 . 17905 1 1333 . 1 1 124 124 PRO C C 13 176.457 0.2 . 1 . . . . 214 PRO C . 17905 1 1334 . 1 1 124 124 PRO CA C 13 63.190 0.2 . 1 . . . . 214 PRO CA . 17905 1 1335 . 1 1 124 124 PRO CB C 13 32.128 0.2 . 1 . . . . 214 PRO CB . 17905 1 1336 . 1 1 124 124 PRO CG C 13 27.356 0.2 . 1 . . . . 214 PRO CG . 17905 1 1337 . 1 1 124 124 PRO CD C 13 50.469 0.2 . 1 . . . . 214 PRO CD . 17905 1 1338 . 1 1 125 125 HIS H H 1 8.277 0.02 . 1 . . . . 215 HIS H . 17905 1 1339 . 1 1 125 125 HIS HA H 1 4.625 0.02 . 1 . . . . 215 HIS HA . 17905 1 1340 . 1 1 125 125 HIS HB2 H 1 3.133 0.02 . 2 . . . . 215 HIS HB2 . 17905 1 1341 . 1 1 125 125 HIS HD2 H 1 7.036 0.02 . 1 . . . . 215 HIS HD2 . 17905 1 1342 . 1 1 125 125 HIS C C 13 174.347 0.2 . 1 . . . . 215 HIS C . 17905 1 1343 . 1 1 125 125 HIS CA C 13 56.064 0.2 . 1 . . . . 215 HIS CA . 17905 1 1344 . 1 1 125 125 HIS CB C 13 30.622 0.2 . 1 . . . . 215 HIS CB . 17905 1 1345 . 1 1 125 125 HIS CD2 C 13 120.457 0.2 . 1 . . . . 215 HIS CD2 . 17905 1 1346 . 1 1 125 125 HIS N N 15 119.851 0.2 . 1 . . . . 215 HIS N . 17905 1 1347 . 1 1 126 126 LEU H H 1 7.747 0.02 . 1 . . . . 216 LEU H . 17905 1 1348 . 1 1 126 126 LEU HA H 1 4.175 0.02 . 1 . . . . 216 LEU HA . 17905 1 1349 . 1 1 126 126 LEU HB2 H 1 1.546 0.02 . 2 . . . . 216 LEU HB2 . 17905 1 1350 . 1 1 126 126 LEU HG H 1 1.452 0.02 . 1 . . . . 216 LEU HG . 17905 1 1351 . 1 1 126 126 LEU HD11 H 1 0.858 0.02 . 2 . . . . 216 LEU HD1 . 17905 1 1352 . 1 1 126 126 LEU HD12 H 1 0.858 0.02 . 2 . . . . 216 LEU HD1 . 17905 1 1353 . 1 1 126 126 LEU HD13 H 1 0.858 0.02 . 2 . . . . 216 LEU HD1 . 17905 1 1354 . 1 1 126 126 LEU HD21 H 1 0.826 0.02 . 2 . . . . 216 LEU HD2 . 17905 1 1355 . 1 1 126 126 LEU HD22 H 1 0.826 0.02 . 2 . . . . 216 LEU HD2 . 17905 1 1356 . 1 1 126 126 LEU HD23 H 1 0.826 0.02 . 2 . . . . 216 LEU HD2 . 17905 1 1357 . 1 1 126 126 LEU CA C 13 56.753 0.2 . 1 . . . . 216 LEU CA . 17905 1 1358 . 1 1 126 126 LEU CB C 13 43.514 0.2 . 1 . . . . 216 LEU CB . 17905 1 1359 . 1 1 126 126 LEU CG C 13 27.192 0.2 . 1 . . . . 216 LEU CG . 17905 1 1360 . 1 1 126 126 LEU CD1 C 13 25.360 0.2 . 2 . . . . 216 LEU CD1 . 17905 1 1361 . 1 1 126 126 LEU CD2 C 13 23.643 0.2 . 2 . . . . 216 LEU CD2 . 17905 1 1362 . 1 1 126 126 LEU N N 15 129.484 0.2 . 1 . . . . 216 LEU N . 17905 1 stop_ save_