data_17111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17111 _Entry.Title ; Mupirocin didomain ACP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2012-08-30 _Entry.Original_release_date 2012-08-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xu Dong . . . 17111 2 Christopher Williams . . . 17111 3 Matthew Crump . P. . 17111 4 Pakorn Wattana-amorn . . . 17111 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17111 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl carrier protein' . 17111 mupirocin . 17111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 660 17111 '15N chemical shifts' 180 17111 '1H chemical shifts' 1221 17111 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-30 2010-08-10 original author . 17111 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L22 'BMRB Entry Tracking System' 17111 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17111 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural studies on Mupirocin didomain Acyl Carrier Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Xu Dong . . . 17111 1 2 Christopher Williams . . . 17111 1 3 Pakorn Wattana-amorn . . . 17111 1 4 Matthew Crump . P. . 17111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17111 _Assembly.ID 1 _Assembly.Name Mupirocin_didomain_ACP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mupirocin_didomain_ACP 1 $Mupirocin_didomain_ACP A . yes native no no . . . 17111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mupirocin_didomain_ACP _Entity.Sf_category entity _Entity.Sf_framecode Mupirocin_didomain_ACP _Entity.Entry_ID 17111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mupirocin_didomain_ACP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MVADDECAQFLRQSLAAMLY CEPGQIRDGSRFLELGLDSV IAAQWIREINKHYQLKIPAD GIYTYPVFKAFTQWVGTQLQ PTQATAAPVQREPVATAPQP GAQASAQRESIQDYLKQSLG ELLFLDPGQLRSGAQFLDLG MDSVTGTQWMRGVSRHFSIQ LAADAIYTWPTLKSLADEVD RRVQLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L22 . "Mupirocin Didomain Acp" . . . . . 100.00 212 100.00 100.00 1.69e-153 . . . . 17111 1 2 no GB AAM12909 . "MmpA [Pseudomonas fluorescens]" . . . . . 87.74 2845 98.92 99.46 5.93e-117 . . . . 17111 1 3 no GB KFF43108 . "hypothetical protein JH25_04775 [Pseudomonas sp. BRG-100]" . . . . . 87.74 2845 98.39 99.46 1.53e-116 . . . . 17111 1 4 no REF WP_032877030 . "hypothetical protein [Pseudomonas sp. BRG-100]" . . . . . 87.74 2845 98.39 99.46 1.53e-116 . . . . 17111 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 -20 MET . 17111 1 2 -19 GLY . 17111 1 3 -18 SER . 17111 1 4 -17 SER . 17111 1 5 -16 HIS . 17111 1 6 -15 HIS . 17111 1 7 -14 HIS . 17111 1 8 -13 HIS . 17111 1 9 -12 HIS . 17111 1 10 -11 HIS . 17111 1 11 -10 SER . 17111 1 12 -9 SER . 17111 1 13 -8 GLY . 17111 1 14 -7 LEU . 17111 1 15 -6 VAL . 17111 1 16 -5 PRO . 17111 1 17 -4 ARG . 17111 1 18 -3 GLY . 17111 1 19 -2 SER . 17111 1 20 -1 HIS . 17111 1 21 0 MET . 17111 1 22 1 VAL . 17111 1 23 2 ALA . 17111 1 24 3 ASP . 17111 1 25 4 ASP . 17111 1 26 5 GLU . 17111 1 27 6 CYS . 17111 1 28 7 ALA . 17111 1 29 8 GLN . 17111 1 30 9 PHE . 17111 1 31 10 LEU . 17111 1 32 11 ARG . 17111 1 33 12 GLN . 17111 1 34 13 SER . 17111 1 35 14 LEU . 17111 1 36 15 ALA . 17111 1 37 16 ALA . 17111 1 38 17 MET . 17111 1 39 18 LEU . 17111 1 40 19 TYR . 17111 1 41 20 CYS . 17111 1 42 21 GLU . 17111 1 43 22 PRO . 17111 1 44 23 GLY . 17111 1 45 24 GLN . 17111 1 46 25 ILE . 17111 1 47 26 ARG . 17111 1 48 27 ASP . 17111 1 49 28 GLY . 17111 1 50 29 SER . 17111 1 51 30 ARG . 17111 1 52 31 PHE . 17111 1 53 32 LEU . 17111 1 54 33 GLU . 17111 1 55 34 LEU . 17111 1 56 35 GLY . 17111 1 57 36 LEU . 17111 1 58 37 ASP . 17111 1 59 38 SER . 17111 1 60 39 VAL . 17111 1 61 40 ILE . 17111 1 62 41 ALA . 17111 1 63 42 ALA . 17111 1 64 43 GLN . 17111 1 65 44 TRP . 17111 1 66 45 ILE . 17111 1 67 46 ARG . 17111 1 68 47 GLU . 17111 1 69 48 ILE . 17111 1 70 49 ASN . 17111 1 71 50 LYS . 17111 1 72 51 HIS . 17111 1 73 52 TYR . 17111 1 74 53 GLN . 17111 1 75 54 LEU . 17111 1 76 55 LYS . 17111 1 77 56 ILE . 17111 1 78 57 PRO . 17111 1 79 58 ALA . 17111 1 80 59 ASP . 17111 1 81 60 GLY . 17111 1 82 61 ILE . 17111 1 83 62 TYR . 17111 1 84 63 THR . 17111 1 85 64 TYR . 17111 1 86 65 PRO . 17111 1 87 66 VAL . 17111 1 88 67 PHE . 17111 1 89 68 LYS . 17111 1 90 69 ALA . 17111 1 91 70 PHE . 17111 1 92 71 THR . 17111 1 93 72 GLN . 17111 1 94 73 TRP . 17111 1 95 74 VAL . 17111 1 96 75 GLY . 17111 1 97 76 THR . 17111 1 98 77 GLN . 17111 1 99 78 LEU . 17111 1 100 79 GLN . 17111 1 101 80 PRO . 17111 1 102 81 THR . 17111 1 103 82 GLN . 17111 1 104 83 ALA . 17111 1 105 84 THR . 17111 1 106 85 ALA . 17111 1 107 86 ALA . 17111 1 108 87 PRO . 17111 1 109 88 VAL . 17111 1 110 89 GLN . 17111 1 111 90 ARG . 17111 1 112 91 GLU . 17111 1 113 92 PRO . 17111 1 114 93 VAL . 17111 1 115 94 ALA . 17111 1 116 95 THR . 17111 1 117 96 ALA . 17111 1 118 97 PRO . 17111 1 119 98 GLN . 17111 1 120 99 PRO . 17111 1 121 100 GLY . 17111 1 122 101 ALA . 17111 1 123 102 GLN . 17111 1 124 103 ALA . 17111 1 125 104 SER . 17111 1 126 105 ALA . 17111 1 127 106 GLN . 17111 1 128 107 ARG . 17111 1 129 108 GLU . 17111 1 130 109 SER . 17111 1 131 110 ILE . 17111 1 132 111 GLN . 17111 1 133 112 ASP . 17111 1 134 113 TYR . 17111 1 135 114 LEU . 17111 1 136 115 LYS . 17111 1 137 116 GLN . 17111 1 138 117 SER . 17111 1 139 118 LEU . 17111 1 140 119 GLY . 17111 1 141 120 GLU . 17111 1 142 121 LEU . 17111 1 143 122 LEU . 17111 1 144 123 PHE . 17111 1 145 124 LEU . 17111 1 146 125 ASP . 17111 1 147 126 PRO . 17111 1 148 127 GLY . 17111 1 149 128 GLN . 17111 1 150 129 LEU . 17111 1 151 130 ARG . 17111 1 152 131 SER . 17111 1 153 132 GLY . 17111 1 154 133 ALA . 17111 1 155 134 GLN . 17111 1 156 135 PHE . 17111 1 157 136 LEU . 17111 1 158 137 ASP . 17111 1 159 138 LEU . 17111 1 160 139 GLY . 17111 1 161 140 MET . 17111 1 162 141 ASP . 17111 1 163 142 SER . 17111 1 164 143 VAL . 17111 1 165 144 THR . 17111 1 166 145 GLY . 17111 1 167 146 THR . 17111 1 168 147 GLN . 17111 1 169 148 TRP . 17111 1 170 149 MET . 17111 1 171 150 ARG . 17111 1 172 151 GLY . 17111 1 173 152 VAL . 17111 1 174 153 SER . 17111 1 175 154 ARG . 17111 1 176 155 HIS . 17111 1 177 156 PHE . 17111 1 178 157 SER . 17111 1 179 158 ILE . 17111 1 180 159 GLN . 17111 1 181 160 LEU . 17111 1 182 161 ALA . 17111 1 183 162 ALA . 17111 1 184 163 ASP . 17111 1 185 164 ALA . 17111 1 186 165 ILE . 17111 1 187 166 TYR . 17111 1 188 167 THR . 17111 1 189 168 TRP . 17111 1 190 169 PRO . 17111 1 191 170 THR . 17111 1 192 171 LEU . 17111 1 193 172 LYS . 17111 1 194 173 SER . 17111 1 195 174 LEU . 17111 1 196 175 ALA . 17111 1 197 176 ASP . 17111 1 198 177 GLU . 17111 1 199 178 VAL . 17111 1 200 179 ASP . 17111 1 201 180 ARG . 17111 1 202 181 ARG . 17111 1 203 182 VAL . 17111 1 204 183 GLN . 17111 1 205 184 LEU . 17111 1 206 185 GLU . 17111 1 207 186 HIS . 17111 1 208 187 HIS . 17111 1 209 188 HIS . 17111 1 210 189 HIS . 17111 1 211 190 HIS . 17111 1 212 191 HIS . 17111 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17111 1 . GLY 2 2 17111 1 . SER 3 3 17111 1 . SER 4 4 17111 1 . HIS 5 5 17111 1 . HIS 6 6 17111 1 . HIS 7 7 17111 1 . HIS 8 8 17111 1 . HIS 9 9 17111 1 . HIS 10 10 17111 1 . SER 11 11 17111 1 . SER 12 12 17111 1 . GLY 13 13 17111 1 . LEU 14 14 17111 1 . VAL 15 15 17111 1 . PRO 16 16 17111 1 . ARG 17 17 17111 1 . GLY 18 18 17111 1 . SER 19 19 17111 1 . HIS 20 20 17111 1 . MET 21 21 17111 1 . VAL 22 22 17111 1 . ALA 23 23 17111 1 . ASP 24 24 17111 1 . ASP 25 25 17111 1 . GLU 26 26 17111 1 . CYS 27 27 17111 1 . ALA 28 28 17111 1 . GLN 29 29 17111 1 . PHE 30 30 17111 1 . LEU 31 31 17111 1 . ARG 32 32 17111 1 . GLN 33 33 17111 1 . SER 34 34 17111 1 . LEU 35 35 17111 1 . ALA 36 36 17111 1 . ALA 37 37 17111 1 . MET 38 38 17111 1 . LEU 39 39 17111 1 . TYR 40 40 17111 1 . CYS 41 41 17111 1 . GLU 42 42 17111 1 . PRO 43 43 17111 1 . GLY 44 44 17111 1 . GLN 45 45 17111 1 . ILE 46 46 17111 1 . ARG 47 47 17111 1 . ASP 48 48 17111 1 . GLY 49 49 17111 1 . SER 50 50 17111 1 . ARG 51 51 17111 1 . PHE 52 52 17111 1 . LEU 53 53 17111 1 . GLU 54 54 17111 1 . LEU 55 55 17111 1 . GLY 56 56 17111 1 . LEU 57 57 17111 1 . ASP 58 58 17111 1 . SER 59 59 17111 1 . VAL 60 60 17111 1 . ILE 61 61 17111 1 . ALA 62 62 17111 1 . ALA 63 63 17111 1 . GLN 64 64 17111 1 . TRP 65 65 17111 1 . ILE 66 66 17111 1 . ARG 67 67 17111 1 . GLU 68 68 17111 1 . ILE 69 69 17111 1 . ASN 70 70 17111 1 . LYS 71 71 17111 1 . HIS 72 72 17111 1 . TYR 73 73 17111 1 . GLN 74 74 17111 1 . LEU 75 75 17111 1 . LYS 76 76 17111 1 . ILE 77 77 17111 1 . PRO 78 78 17111 1 . ALA 79 79 17111 1 . ASP 80 80 17111 1 . GLY 81 81 17111 1 . ILE 82 82 17111 1 . TYR 83 83 17111 1 . THR 84 84 17111 1 . TYR 85 85 17111 1 . PRO 86 86 17111 1 . VAL 87 87 17111 1 . PHE 88 88 17111 1 . LYS 89 89 17111 1 . ALA 90 90 17111 1 . PHE 91 91 17111 1 . THR 92 92 17111 1 . GLN 93 93 17111 1 . TRP 94 94 17111 1 . VAL 95 95 17111 1 . GLY 96 96 17111 1 . THR 97 97 17111 1 . GLN 98 98 17111 1 . LEU 99 99 17111 1 . GLN 100 100 17111 1 . PRO 101 101 17111 1 . THR 102 102 17111 1 . GLN 103 103 17111 1 . ALA 104 104 17111 1 . THR 105 105 17111 1 . ALA 106 106 17111 1 . ALA 107 107 17111 1 . PRO 108 108 17111 1 . VAL 109 109 17111 1 . GLN 110 110 17111 1 . ARG 111 111 17111 1 . GLU 112 112 17111 1 . PRO 113 113 17111 1 . VAL 114 114 17111 1 . ALA 115 115 17111 1 . THR 116 116 17111 1 . ALA 117 117 17111 1 . PRO 118 118 17111 1 . GLN 119 119 17111 1 . PRO 120 120 17111 1 . GLY 121 121 17111 1 . ALA 122 122 17111 1 . GLN 123 123 17111 1 . ALA 124 124 17111 1 . SER 125 125 17111 1 . ALA 126 126 17111 1 . GLN 127 127 17111 1 . ARG 128 128 17111 1 . GLU 129 129 17111 1 . SER 130 130 17111 1 . ILE 131 131 17111 1 . GLN 132 132 17111 1 . ASP 133 133 17111 1 . TYR 134 134 17111 1 . LEU 135 135 17111 1 . LYS 136 136 17111 1 . GLN 137 137 17111 1 . SER 138 138 17111 1 . LEU 139 139 17111 1 . GLY 140 140 17111 1 . GLU 141 141 17111 1 . LEU 142 142 17111 1 . LEU 143 143 17111 1 . PHE 144 144 17111 1 . LEU 145 145 17111 1 . ASP 146 146 17111 1 . PRO 147 147 17111 1 . GLY 148 148 17111 1 . GLN 149 149 17111 1 . LEU 150 150 17111 1 . ARG 151 151 17111 1 . SER 152 152 17111 1 . GLY 153 153 17111 1 . ALA 154 154 17111 1 . GLN 155 155 17111 1 . PHE 156 156 17111 1 . LEU 157 157 17111 1 . ASP 158 158 17111 1 . LEU 159 159 17111 1 . GLY 160 160 17111 1 . MET 161 161 17111 1 . ASP 162 162 17111 1 . SER 163 163 17111 1 . VAL 164 164 17111 1 . THR 165 165 17111 1 . GLY 166 166 17111 1 . THR 167 167 17111 1 . GLN 168 168 17111 1 . TRP 169 169 17111 1 . MET 170 170 17111 1 . ARG 171 171 17111 1 . GLY 172 172 17111 1 . VAL 173 173 17111 1 . SER 174 174 17111 1 . ARG 175 175 17111 1 . HIS 176 176 17111 1 . PHE 177 177 17111 1 . SER 178 178 17111 1 . ILE 179 179 17111 1 . GLN 180 180 17111 1 . LEU 181 181 17111 1 . ALA 182 182 17111 1 . ALA 183 183 17111 1 . ASP 184 184 17111 1 . ALA 185 185 17111 1 . ILE 186 186 17111 1 . TYR 187 187 17111 1 . THR 188 188 17111 1 . TRP 189 189 17111 1 . PRO 190 190 17111 1 . THR 191 191 17111 1 . LEU 192 192 17111 1 . LYS 193 193 17111 1 . SER 194 194 17111 1 . LEU 195 195 17111 1 . ALA 196 196 17111 1 . ASP 197 197 17111 1 . GLU 198 198 17111 1 . VAL 199 199 17111 1 . ASP 200 200 17111 1 . ARG 201 201 17111 1 . ARG 202 202 17111 1 . VAL 203 203 17111 1 . GLN 204 204 17111 1 . LEU 205 205 17111 1 . GLU 206 206 17111 1 . HIS 207 207 17111 1 . HIS 208 208 17111 1 . HIS 209 209 17111 1 . HIS 210 210 17111 1 . HIS 211 211 17111 1 . HIS 212 212 17111 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 17111 _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 $Mupirocin_didomain_ACP . 294 organism . 'Pseudomonas fluorescens' g-proteobacteria . . bacteria . Pseudomonas fluorescens 'NCIMB 10586' . . . . . . . . . . . . . . . . . . . . 17111 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 17111 _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 $Mupirocin_didomain_ACP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17111 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; sodium phosphate 20 mM DTT 5 mM pH 7.0 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17111 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17111 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17111 1 4 H2O 'natural abundance' . . . . . . 5 . . % . . . . 17111 1 5 Mupirocin_didomain_ACP 'natural abundance' . . 1 $Mupirocin_didomain_ACP . . 800 . . uM . . . . 17111 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 17111 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 17111 1 pressure 1 . atm 17111 1 temperature 293 . K 17111 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17111 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17111 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 17111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17111 _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 VNMRS . 600 . . . 17111 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 17111 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17111 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17111 _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 water protons . . . . ppm 37.599 na indirect 0.251449530 . . . . . . . . . 17111 1 H 1 water protons . . . . ppm 4.821 na direct 1 . . . . . . . . . 17111 1 N 15 water protons . . . . ppm 120.19 na indirect 0.101329118 . . . . . . . . . 17111 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 17111 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17111 1 3 '3D HNCO' . . . 17111 1 5 '3D 1H-13C NOESY' . . . 17111 1 6 '3D 1H-15N NOESY' . . . 17111 1 7 '3D HNCACB' . . . 17111 1 8 '3D CBCA(CO)NH' . . . 17111 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 22 22 VAL H H 1 8.212 0.05 . 1 . . . . 1 V H . 17111 1 2 . 1 1 22 22 VAL HA H 1 4.091 0.05 . 1 . . . . 1 V HA . 17111 1 3 . 1 1 22 22 VAL HB H 1 1.989 0.05 . 1 . . . . 1 V HB . 17111 1 4 . 1 1 22 22 VAL HG11 H 1 0.885 0.05 . 1 . . . . 1 V HG11 . 17111 1 5 . 1 1 22 22 VAL HG12 H 1 0.885 0.05 . 1 . . . . 1 V HG12 . 17111 1 6 . 1 1 22 22 VAL HG13 H 1 0.885 0.05 . 1 . . . . 1 V HG13 . 17111 1 7 . 1 1 22 22 VAL HG21 H 1 0.885 0.05 . 1 . . . . 1 V HG21 . 17111 1 8 . 1 1 22 22 VAL HG22 H 1 0.885 0.05 . 1 . . . . 1 V HG22 . 17111 1 9 . 1 1 22 22 VAL HG23 H 1 0.885 0.05 . 1 . . . . 1 V HG23 . 17111 1 10 . 1 1 22 22 VAL CA C 13 62.172 0.4 . 1 . . . . 1 V CA . 17111 1 11 . 1 1 22 22 VAL CB C 13 32.925 0.4 . 1 . . . . 1 V CB . 17111 1 12 . 1 1 22 22 VAL N N 15 121.760 0.4 . 1 . . . . 1 V N . 17111 1 13 . 1 1 23 23 ALA H H 1 8.498 0.05 . 1 . . . . 2 A HN . 17111 1 14 . 1 1 23 23 ALA HA H 1 4.344 0.05 . 1 . . . . 2 A HA . 17111 1 15 . 1 1 23 23 ALA HB1 H 1 1.418 0.05 . 1 . . . . 2 A HB1 . 17111 1 16 . 1 1 23 23 ALA HB2 H 1 1.418 0.05 . 1 . . . . 2 A HB2 . 17111 1 17 . 1 1 23 23 ALA HB3 H 1 1.418 0.05 . 1 . . . . 2 A HB3 . 17111 1 18 . 1 1 23 23 ALA C C 13 175.820 0.4 . 1 . . . . 2 A C . 17111 1 19 . 1 1 23 23 ALA CA C 13 52.528 0.4 . 1 . . . . 2 A CA . 17111 1 20 . 1 1 23 23 ALA CB C 13 19.319 0.4 . 1 . . . . 2 A CB . 17111 1 21 . 1 1 23 23 ALA N N 15 127.895 0.4 . 1 . . . . 2 A N . 17111 1 22 . 1 1 24 24 ASP H H 1 8.400 0.05 . 1 . . . . 3 D HN . 17111 1 23 . 1 1 24 24 ASP HA H 1 4.442 0.05 . 1 . . . . 3 D HA . 17111 1 24 . 1 1 24 24 ASP HB2 H 1 2.665 0.05 . 1 . . . . 3 D HB1 . 17111 1 25 . 1 1 24 24 ASP HB3 H 1 2.631 0.05 . 1 . . . . 3 D HB2 . 17111 1 26 . 1 1 24 24 ASP C C 13 177.803 0.4 . 1 . . . . 3 D C . 17111 1 27 . 1 1 24 24 ASP CA C 13 55.583 0.4 . 1 . . . . 3 D CA . 17111 1 28 . 1 1 24 24 ASP CB C 13 41.125 0.4 . 1 . . . . 3 D CB . 17111 1 29 . 1 1 24 24 ASP N N 15 120.371 0.4 . 1 . . . . 3 D N . 17111 1 30 . 1 1 25 25 ASP H H 1 8.301 0.05 . 1 . . . . 4 D HN . 17111 1 31 . 1 1 25 25 ASP HA H 1 4.617 0.05 . 1 . . . . 4 D HA . 17111 1 32 . 1 1 25 25 ASP HB2 H 1 2.738 0.05 . 1 . . . . 4 D HB1 . 17111 1 33 . 1 1 25 25 ASP HB3 H 1 2.658 0.05 . 1 . . . . 4 D HB2 . 17111 1 34 . 1 1 25 25 ASP CA C 13 54.580 0.4 . 1 . . . . 4 D CA . 17111 1 35 . 1 1 25 25 ASP CB C 13 40.689 0.4 . 1 . . . . 4 D CB . 17111 1 36 . 1 1 25 25 ASP N N 15 120.173 0.4 . 1 . . . . 4 D N . 17111 1 37 . 1 1 26 26 GLU H H 1 8.279 0.05 . 1 . . . . 5 E HN . 17111 1 38 . 1 1 26 26 GLU HA H 1 4.079 0.05 . 1 . . . . 5 E HA . 17111 1 39 . 1 1 26 26 GLU HB2 H 1 2.169 0.05 . 1 . . . . 5 E HB1 . 17111 1 40 . 1 1 26 26 GLU HB3 H 1 2.168 0.05 . 1 . . . . 5 E HB2 . 17111 1 41 . 1 1 26 26 GLU HG2 H 1 2.369 0.05 . 1 . . . . 5 E HG1 . 17111 1 42 . 1 1 26 26 GLU HG3 H 1 2.458 0.05 . 1 . . . . 5 E HG2 . 17111 1 43 . 1 1 26 26 GLU C C 13 177.194 0.4 . 1 . . . . 5 E C . 17111 1 44 . 1 1 26 26 GLU CA C 13 59.373 0.4 . 1 . . . . 5 E CA . 17111 1 45 . 1 1 26 26 GLU CB C 13 29.734 0.4 . 1 . . . . 5 E CB . 17111 1 46 . 1 1 26 26 GLU CG C 13 36.551 0.4 . 1 . . . . 5 E CG . 17111 1 47 . 1 1 26 26 GLU N N 15 122.183 0.4 . 1 . . . . 5 E N . 17111 1 48 . 1 1 27 27 CYS H H 1 8.270 0.05 . 1 . . . . 6 C HN . 17111 1 49 . 1 1 27 27 CYS HA H 1 4.810 0.05 . 1 . . . . 6 C HA . 17111 1 50 . 1 1 27 27 CYS HB2 H 1 2.877 0.05 . 1 . . . . 6 C HB1 . 17111 1 51 . 1 1 27 27 CYS HB3 H 1 2.853 0.05 . 1 . . . . 6 C HB2 . 17111 1 52 . 1 1 27 27 CYS CA C 13 61.023 0.4 . 1 . . . . 6 C CA . 17111 1 53 . 1 1 27 27 CYS CB C 13 26.758 0.4 . 1 . . . . 6 C CB . 17111 1 54 . 1 1 27 27 CYS N N 15 120.186 0.4 . 1 . . . . 6 C N . 17111 1 55 . 1 1 28 28 ALA H H 1 8.234 0.05 . 1 . . . . 7 A HN . 17111 1 56 . 1 1 28 28 ALA HA H 1 4.082 0.05 . 1 . . . . 7 A HA . 17111 1 57 . 1 1 28 28 ALA HB1 H 1 1.622 0.05 . 1 . . . . 7 A HB1 . 17111 1 58 . 1 1 28 28 ALA HB2 H 1 1.622 0.05 . 1 . . . . 7 A HB2 . 17111 1 59 . 1 1 28 28 ALA HB3 H 1 1.622 0.05 . 1 . . . . 7 A HB3 . 17111 1 60 . 1 1 28 28 ALA CA C 13 56.114 0.4 . 1 . . . . 7 A CA . 17111 1 61 . 1 1 28 28 ALA CB C 13 18.210 0.4 . 1 . . . . 7 A CB . 17111 1 62 . 1 1 28 28 ALA N N 15 121.395 0.4 . 1 . . . . 7 A N . 17111 1 63 . 1 1 29 29 GLN H H 1 8.121 0.05 . 1 . . . . 8 Q HN . 17111 1 64 . 1 1 29 29 GLN HA H 1 4.293 0.05 . 1 . . . . 8 Q HA . 17111 1 65 . 1 1 29 29 GLN HB2 H 1 2.235 0.05 . 1 . . . . 8 Q HB1 . 17111 1 66 . 1 1 29 29 GLN HB3 H 1 2.243 0.05 . 1 . . . . 8 Q HB2 . 17111 1 67 . 1 1 29 29 GLN HG2 H 1 2.513 0.05 . 1 . . . . 8 Q HG1 . 17111 1 68 . 1 1 29 29 GLN HG3 H 1 2.514 0.05 . 1 . . . . 8 Q HG2 . 17111 1 69 . 1 1 29 29 GLN C C 13 179.479 0.4 . 1 . . . . 8 Q C . 17111 1 70 . 1 1 29 29 GLN CA C 13 59.253 0.4 . 1 . . . . 8 Q CA . 17111 1 71 . 1 1 29 29 GLN CB C 13 27.991 0.4 . 1 . . . . 8 Q CB . 17111 1 72 . 1 1 29 29 GLN CG C 13 33.375 0.4 . 1 . . . . 8 Q CG . 17111 1 73 . 1 1 29 29 GLN N N 15 115.080 0.4 . 1 . . . . 8 Q N . 17111 1 74 . 1 1 30 30 PHE H H 1 8.508 0.05 . 1 . . . . 9 F HN . 17111 1 75 . 1 1 30 30 PHE HA H 1 4.271 0.05 . 1 . . . . 9 F HA . 17111 1 76 . 1 1 30 30 PHE HB2 H 1 3.362 0.05 . 1 . . . . 9 F HB1 . 17111 1 77 . 1 1 30 30 PHE HB3 H 1 3.382 0.05 . 1 . . . . 9 F HB2 . 17111 1 78 . 1 1 30 30 PHE HD1 H 1 7.004 0.05 . 1 . . . . 9 F HD# . 17111 1 79 . 1 1 30 30 PHE HD2 H 1 7.004 0.05 . 1 . . . . 9 F HD# . 17111 1 80 . 1 1 30 30 PHE C C 13 176.695 0.4 . 1 . . . . 9 F C . 17111 1 81 . 1 1 30 30 PHE CA C 13 61.851 0.4 . 1 . . . . 9 F CA . 17111 1 82 . 1 1 30 30 PHE CB C 13 39.279 0.4 . 1 . . . . 9 F CB . 17111 1 83 . 1 1 30 30 PHE N N 15 121.168 0.4 . 1 . . . . 9 F N . 17111 1 84 . 1 1 31 31 LEU H H 1 9.200 0.05 . 1 . . . . 10 L HN . 17111 1 85 . 1 1 31 31 LEU HA H 1 4.032 0.05 . 1 . . . . 10 L HA . 17111 1 86 . 1 1 31 31 LEU HB2 H 1 2.446 0.05 . 1 . . . . 10 L HB1 . 17111 1 87 . 1 1 31 31 LEU HB3 H 1 2.006 0.05 . 1 . . . . 10 L HB2 . 17111 1 88 . 1 1 31 31 LEU HD11 H 1 1.077 0.05 . 1 . . . . 10 L HD11 . 17111 1 89 . 1 1 31 31 LEU HD12 H 1 1.077 0.05 . 1 . . . . 10 L HD12 . 17111 1 90 . 1 1 31 31 LEU HD13 H 1 1.077 0.05 . 1 . . . . 10 L HD13 . 17111 1 91 . 1 1 31 31 LEU HD21 H 1 1.117 0.05 . 1 . . . . 10 L HD21 . 17111 1 92 . 1 1 31 31 LEU HD22 H 1 1.117 0.05 . 1 . . . . 10 L HD22 . 17111 1 93 . 1 1 31 31 LEU HD23 H 1 1.117 0.05 . 1 . . . . 10 L HD23 . 17111 1 94 . 1 1 31 31 LEU HG H 1 2.419 0.05 . 1 . . . . 10 L HG . 17111 1 95 . 1 1 31 31 LEU C C 13 179.664 0.4 . 1 . . . . 10 L C . 17111 1 96 . 1 1 31 31 LEU CA C 13 59.396 0.4 . 1 . . . . 10 L CA . 17111 1 97 . 1 1 31 31 LEU CB C 13 41.221 0.4 . 1 . . . . 10 L CB . 17111 1 98 . 1 1 31 31 LEU CD1 C 13 25.417 0.4 . 1 . . . . 10 L CD1 . 17111 1 99 . 1 1 31 31 LEU CD2 C 13 26.890 0.4 . 1 . . . . 10 L CD2 . 17111 1 100 . 1 1 31 31 LEU CG C 13 28.796 0.4 . 1 . . . . 10 L CG . 17111 1 101 . 1 1 31 31 LEU N N 15 122.648 0.4 . 1 . . . . 10 L N . 17111 1 102 . 1 1 32 32 ARG H H 1 8.863 0.05 . 1 . . . . 11 R HN . 17111 1 103 . 1 1 32 32 ARG HA H 1 3.817 0.05 . 1 . . . . 11 R HA . 17111 1 104 . 1 1 32 32 ARG HB2 H 1 1.903 0.05 . 1 . . . . 11 R HB1 . 17111 1 105 . 1 1 32 32 ARG HB3 H 1 2.069 0.05 . 1 . . . . 11 R HB2 . 17111 1 106 . 1 1 32 32 ARG HG2 H 1 2.449 0.05 . 1 . . . . 11 R HG1 . 17111 1 107 . 1 1 32 32 ARG HG3 H 1 2.449 0.05 . 1 . . . . 11 R HG2 . 17111 1 108 . 1 1 32 32 ARG C C 13 177.905 0.4 . 1 . . . . 11 R C . 17111 1 109 . 1 1 32 32 ARG CA C 13 60.409 0.4 . 1 . . . . 11 R CA . 17111 1 110 . 1 1 32 32 ARG CB C 13 30.906 0.4 . 1 . . . . 11 R CB . 17111 1 111 . 1 1 32 32 ARG CG C 13 29.389 0.4 . 1 . . . . 11 R CG . 17111 1 112 . 1 1 32 32 ARG N N 15 118.447 0.4 . 1 . . . . 11 R N . 17111 1 113 . 1 1 33 33 GLN H H 1 8.468 0.05 . 1 . . . . 12 Q HN . 17111 1 114 . 1 1 33 33 GLN HA H 1 3.812 0.05 . 1 . . . . 12 Q HA . 17111 1 115 . 1 1 33 33 GLN HB2 H 1 2.166 0.05 . 1 . . . . 12 Q HB1 . 17111 1 116 . 1 1 33 33 GLN HB3 H 1 2.034 0.05 . 1 . . . . 12 Q HB2 . 17111 1 117 . 1 1 33 33 GLN HE21 H 1 6.892 0.05 . 1 . . . . 12 Q HE21 . 17111 1 118 . 1 1 33 33 GLN HE22 H 1 7.332 0.05 . 1 . . . . 12 Q HE22 . 17111 1 119 . 1 1 33 33 GLN HG2 H 1 2.349 0.05 . 1 . . . . 12 Q HG1 . 17111 1 120 . 1 1 33 33 GLN HG3 H 1 2.532 0.05 . 1 . . . . 12 Q HG2 . 17111 1 121 . 1 1 33 33 GLN C C 13 177.583 0.4 . 1 . . . . 12 Q C . 17111 1 122 . 1 1 33 33 GLN CA C 13 59.322 0.4 . 1 . . . . 12 Q CA . 17111 1 123 . 1 1 33 33 GLN CB C 13 28.257 0.4 . 1 . . . . 12 Q CB . 17111 1 124 . 1 1 33 33 GLN CG C 13 33.661 0.4 . 1 . . . . 12 Q CG . 17111 1 125 . 1 1 33 33 GLN N N 15 117.116 0.4 . 1 . . . . 12 Q N . 17111 1 126 . 1 1 33 33 GLN NE2 N 15 111.370 0.4 . 1 . . . . 12 Q NE2 . 17111 1 127 . 1 1 34 34 SER H H 1 8.342 0.05 . 1 . . . . 13 S HN . 17111 1 128 . 1 1 34 34 SER HA H 1 3.995 0.05 . 1 . . . . 13 S HA . 17111 1 129 . 1 1 34 34 SER HB2 H 1 3.363 0.05 . 1 . . . . 13 S HB1 . 17111 1 130 . 1 1 34 34 SER HB3 H 1 3.730 0.05 . 1 . . . . 13 S HB2 . 17111 1 131 . 1 1 34 34 SER C C 13 179.107 0.4 . 1 . . . . 13 S C . 17111 1 132 . 1 1 34 34 SER CA C 13 60.930 0.4 . 1 . . . . 13 S CA . 17111 1 133 . 1 1 34 34 SER CB C 13 63.018 0.4 . 1 . . . . 13 S CB . 17111 1 134 . 1 1 34 34 SER N N 15 115.003 0.4 . 1 . . . . 13 S N . 17111 1 135 . 1 1 35 35 LEU H H 1 7.922 0.05 . 1 . . . . 14 L HN . 17111 1 136 . 1 1 35 35 LEU HA H 1 3.368 0.05 . 1 . . . . 14 L HA . 17111 1 137 . 1 1 35 35 LEU HB2 H 1 1.478 0.05 . 1 . . . . 14 L HB1 . 17111 1 138 . 1 1 35 35 LEU HB3 H 1 0.987 0.05 . 1 . . . . 14 L HB2 . 17111 1 139 . 1 1 35 35 LEU HD11 H 1 -0.313 0.05 . 1 . . . . 14 L HD11 . 17111 1 140 . 1 1 35 35 LEU HD12 H 1 -0.313 0.05 . 1 . . . . 14 L HD12 . 17111 1 141 . 1 1 35 35 LEU HD13 H 1 -0.313 0.05 . 1 . . . . 14 L HD13 . 17111 1 142 . 1 1 35 35 LEU HD21 H 1 0.297 0.05 . 1 . . . . 14 L HD21 . 17111 1 143 . 1 1 35 35 LEU HD22 H 1 0.297 0.05 . 1 . . . . 14 L HD22 . 17111 1 144 . 1 1 35 35 LEU HD23 H 1 0.297 0.05 . 1 . . . . 14 L HD23 . 17111 1 145 . 1 1 35 35 LEU HG H 1 0.976 0.05 . 1 . . . . 14 L HG . 17111 1 146 . 1 1 35 35 LEU C C 13 174.097 0.4 . 1 . . . . 14 L C . 17111 1 147 . 1 1 35 35 LEU CA C 13 57.703 0.4 . 1 . . . . 14 L CA . 17111 1 148 . 1 1 35 35 LEU CB C 13 40.088 0.4 . 1 . . . . 14 L CB . 17111 1 149 . 1 1 35 35 LEU CD1 C 13 20.756 0.4 . 1 . . . . 14 L CD1 . 17111 1 150 . 1 1 35 35 LEU CD2 C 13 25.539 0.4 . 1 . . . . 14 L CD2 . 17111 1 151 . 1 1 35 35 LEU CG C 13 25.742 0.4 . 1 . . . . 14 L CG . 17111 1 152 . 1 1 35 35 LEU N N 15 125.911 0.4 . 1 . . . . 14 L N . 17111 1 153 . 1 1 36 36 ALA H H 1 8.102 0.05 . 1 . . . . 15 A HN . 17111 1 154 . 1 1 36 36 ALA HA H 1 3.930 0.05 . 1 . . . . 15 A HA . 17111 1 155 . 1 1 36 36 ALA HB1 H 1 1.247 0.05 . 1 . . . . 15 A HB1 . 17111 1 156 . 1 1 36 36 ALA HB2 H 1 1.247 0.05 . 1 . . . . 15 A HB2 . 17111 1 157 . 1 1 36 36 ALA HB3 H 1 1.247 0.05 . 1 . . . . 15 A HB3 . 17111 1 158 . 1 1 36 36 ALA C C 13 178.198 0.4 . 1 . . . . 15 A C . 17111 1 159 . 1 1 36 36 ALA CA C 13 54.615 0.4 . 1 . . . . 15 A CA . 17111 1 160 . 1 1 36 36 ALA CB C 13 17.062 0.4 . 1 . . . . 15 A CB . 17111 1 161 . 1 1 36 36 ALA N N 15 120.751 0.4 . 1 . . . . 15 A N . 17111 1 162 . 1 1 37 37 ALA H H 1 7.351 0.05 . 1 . . . . 16 A HN . 17111 1 163 . 1 1 37 37 ALA HA H 1 3.993 0.05 . 1 . . . . 16 A HA . 17111 1 164 . 1 1 37 37 ALA HB1 H 1 1.401 0.05 . 1 . . . . 16 A HB1 . 17111 1 165 . 1 1 37 37 ALA HB2 H 1 1.401 0.05 . 1 . . . . 16 A HB2 . 17111 1 166 . 1 1 37 37 ALA HB3 H 1 1.401 0.05 . 1 . . . . 16 A HB3 . 17111 1 167 . 1 1 37 37 ALA C C 13 179.519 0.4 . 1 . . . . 16 A C . 17111 1 168 . 1 1 37 37 ALA CA C 13 54.173 0.4 . 1 . . . . 16 A CA . 17111 1 169 . 1 1 37 37 ALA CB C 13 18.073 0.4 . 1 . . . . 16 A CB . 17111 1 170 . 1 1 37 37 ALA N N 15 116.513 0.4 . 1 . . . . 16 A N . 17111 1 171 . 1 1 38 38 MET H H 1 7.229 0.05 . 1 . . . . 17 M HN . 17111 1 172 . 1 1 38 38 MET HA H 1 4.076 0.05 . 1 . . . . 17 M HA . 17111 1 173 . 1 1 38 38 MET HB2 H 1 1.981 0.05 . 1 . . . . 17 M HB1 . 17111 1 174 . 1 1 38 38 MET HB3 H 1 1.820 0.05 . 1 . . . . 17 M HB2 . 17111 1 175 . 1 1 38 38 MET HE1 H 1 2.178 0.05 . 1 . . . . 17 M HE1 . 17111 1 176 . 1 1 38 38 MET HE2 H 1 2.178 0.05 . 1 . . . . 17 M HE2 . 17111 1 177 . 1 1 38 38 MET HE3 H 1 2.178 0.05 . 1 . . . . 17 M HE3 . 17111 1 178 . 1 1 38 38 MET HG2 H 1 2.547 0.05 . 1 . . . . 17 M HG1 . 17111 1 179 . 1 1 38 38 MET HG3 H 1 2.732 0.05 . 1 . . . . 17 M HG2 . 17111 1 180 . 1 1 38 38 MET C C 13 180.289 0.4 . 1 . . . . 17 M C . 17111 1 181 . 1 1 38 38 MET CA C 13 57.379 0.4 . 1 . . . . 17 M CA . 17111 1 182 . 1 1 38 38 MET CB C 13 33.055 0.4 . 1 . . . . 17 M CB . 17111 1 183 . 1 1 38 38 MET CE C 13 18.088 0.4 . 1 . . . . 17 M CE . 17111 1 184 . 1 1 38 38 MET CG C 13 33.227 0.4 . 1 . . . . 17 M CG . 17111 1 185 . 1 1 38 38 MET N N 15 115.590 0.4 . 1 . . . . 17 M N . 17111 1 186 . 1 1 39 39 LEU H H 1 7.637 0.05 . 1 . . . . 18 L HN . 17111 1 187 . 1 1 39 39 LEU HA H 1 4.180 0.05 . 1 . . . . 18 L HA . 17111 1 188 . 1 1 39 39 LEU HB2 H 1 1.632 0.05 . 1 . . . . 18 L HB1 . 17111 1 189 . 1 1 39 39 LEU HB3 H 1 1.434 0.05 . 1 . . . . 18 L HB2 . 17111 1 190 . 1 1 39 39 LEU HD11 H 1 0.611 0.05 . 1 . . . . 18 L HD11 . 17111 1 191 . 1 1 39 39 LEU HD12 H 1 0.611 0.05 . 1 . . . . 18 L HD12 . 17111 1 192 . 1 1 39 39 LEU HD13 H 1 0.611 0.05 . 1 . . . . 18 L HD13 . 17111 1 193 . 1 1 39 39 LEU HD21 H 1 0.609 0.05 . 1 . . . . 18 L HD21 . 17111 1 194 . 1 1 39 39 LEU HD22 H 1 0.609 0.05 . 1 . . . . 18 L HD22 . 17111 1 195 . 1 1 39 39 LEU HD23 H 1 0.609 0.05 . 1 . . . . 18 L HD23 . 17111 1 196 . 1 1 39 39 LEU HG H 1 1.259 0.05 . 1 . . . . 18 L HG . 17111 1 197 . 1 1 39 39 LEU C C 13 176.763 0.4 . 1 . . . . 18 L C . 17111 1 198 . 1 1 39 39 LEU CA C 13 54.308 0.4 . 1 . . . . 18 L CA . 17111 1 199 . 1 1 39 39 LEU CB C 13 42.427 0.4 . 1 . . . . 18 L CB . 17111 1 200 . 1 1 39 39 LEU CD2 C 13 21.896 0.4 . 1 . . . . 18 L CD2 . 17111 1 201 . 1 1 39 39 LEU CG C 13 26.282 0.4 . 1 . . . . 18 L CG . 17111 1 202 . 1 1 39 39 LEU N N 15 115.938 0.4 . 1 . . . . 18 L N . 17111 1 203 . 1 1 40 40 TYR H H 1 7.521 0.05 . 1 . . . . 19 Y HN . 17111 1 204 . 1 1 40 40 TYR HA H 1 4.016 0.05 . 1 . . . . 19 Y HA . 17111 1 205 . 1 1 40 40 TYR HB2 H 1 3.200 0.05 . 1 . . . . 19 Y HB1 . 17111 1 206 . 1 1 40 40 TYR HB3 H 1 3.096 0.05 . 1 . . . . 19 Y HB2 . 17111 1 207 . 1 1 40 40 TYR HD1 H 1 7.018 0.05 . 1 . . . . 19 Y HD# . 17111 1 208 . 1 1 40 40 TYR HD2 H 1 7.018 0.05 . 1 . . . . 19 Y HD# . 17111 1 209 . 1 1 40 40 TYR CA C 13 58.329 0.4 . 1 . . . . 19 Y CA . 17111 1 210 . 1 1 40 40 TYR CB C 13 34.551 0.4 . 1 . . . . 19 Y CB . 17111 1 211 . 1 1 40 40 TYR N N 15 117.152 0.4 . 1 . . . . 19 Y N . 17111 1 212 . 1 1 41 41 CYS H H 1 8.262 0.05 . 1 . . . . 20 C HN . 17111 1 213 . 1 1 41 41 CYS HA H 1 5.183 0.05 . 1 . . . . 20 C HA . 17111 1 214 . 1 1 41 41 CYS HB2 H 1 2.438 0.05 . 1 . . . . 20 C HB1 . 17111 1 215 . 1 1 41 41 CYS HB3 H 1 3.320 0.05 . 1 . . . . 20 C HB2 . 17111 1 216 . 1 1 41 41 CYS C C 13 174.811 0.4 . 1 . . . . 20 C C . 17111 1 217 . 1 1 41 41 CYS CA C 13 54.561 0.4 . 1 . . . . 20 C CA . 17111 1 218 . 1 1 41 41 CYS CB C 13 31.832 0.4 . 1 . . . . 20 C CB . 17111 1 219 . 1 1 41 41 CYS N N 15 114.636 0.4 . 1 . . . . 20 C N . 17111 1 220 . 1 1 42 42 GLU H H 1 8.335 0.05 . 1 . . . . 21 E HN . 17111 1 221 . 1 1 42 42 GLU HA H 1 4.554 0.05 . 1 . . . . 21 E HA . 17111 1 222 . 1 1 42 42 GLU HB2 H 1 2.074 0.05 . 1 . . . . 21 E HB1 . 17111 1 223 . 1 1 42 42 GLU HB3 H 1 1.803 0.05 . 1 . . . . 21 E HB2 . 17111 1 224 . 1 1 42 42 GLU HG2 H 1 2.358 0.05 . 1 . . . . 21 E HG1 . 17111 1 225 . 1 1 42 42 GLU HG3 H 1 2.358 0.05 . 1 . . . . 21 E HG2 . 17111 1 226 . 1 1 42 42 GLU N N 15 119.442 0.4 . 1 . . . . 21 E N . 17111 1 227 . 1 1 43 43 PRO HA H 1 3.850 0.05 . 1 . . . . 22 P HA . 17111 1 228 . 1 1 43 43 PRO HB2 H 1 1.917 0.05 . 1 . . . . 22 P HB1 . 17111 1 229 . 1 1 43 43 PRO HB3 H 1 2.125 0.05 . 1 . . . . 22 P HB2 . 17111 1 230 . 1 1 43 43 PRO HD2 H 1 3.819 0.05 . 1 . . . . 22 P HD1 . 17111 1 231 . 1 1 43 43 PRO HD3 H 1 3.819 0.05 . 1 . . . . 22 P HD2 . 17111 1 232 . 1 1 43 43 PRO HG2 H 1 2.116 0.05 . 1 . . . . 22 P HG1 . 17111 1 233 . 1 1 43 43 PRO HG3 H 1 2.116 0.05 . 1 . . . . 22 P HG2 . 17111 1 234 . 1 1 43 43 PRO CA C 13 65.594 0.4 . 1 . . . . 22 P CA . 17111 1 235 . 1 1 43 43 PRO CB C 13 31.642 0.4 . 1 . . . . 22 P CB . 17111 1 236 . 1 1 43 43 PRO CG C 13 28.129 0.4 . 1 . . . . 22 P CG . 17111 1 237 . 1 1 44 44 GLY H H 1 8.324 0.05 . 1 . . . . 23 G HN . 17111 1 238 . 1 1 44 44 GLY HA2 H 1 3.647 0.05 . 1 . . . . 23 G HA1 . 17111 1 239 . 1 1 44 44 GLY HA3 H 1 3.818 0.05 . 1 . . . . 23 G HA2 . 17111 1 240 . 1 1 44 44 GLY C C 13 177.606 0.4 . 1 . . . . 23 G C . 17111 1 241 . 1 1 44 44 GLY CA C 13 45.744 0.4 . 1 . . . . 23 G CA . 17111 1 242 . 1 1 44 44 GLY N N 15 101.967 0.4 . 1 . . . . 23 G N . 17111 1 243 . 1 1 45 45 GLN H H 1 7.651 0.05 . 1 . . . . 24 Q HN . 17111 1 244 . 1 1 45 45 GLN HA H 1 4.011 0.05 . 1 . . . . 24 Q HA . 17111 1 245 . 1 1 45 45 GLN HB2 H 1 2.118 0.05 . 1 . . . . 24 Q HB1 . 17111 1 246 . 1 1 45 45 GLN HB3 H 1 2.125 0.05 . 1 . . . . 24 Q HB2 . 17111 1 247 . 1 1 45 45 GLN HE21 H 1 7.555 0.05 . 1 . . . . 24 Q HE21 . 17111 1 248 . 1 1 45 45 GLN HE22 H 1 6.759 0.05 . 1 . . . . 24 Q HE22 . 17111 1 249 . 1 1 45 45 GLN HG2 H 1 2.350 0.05 . 1 . . . . 24 Q HG1 . 17111 1 250 . 1 1 45 45 GLN HG3 H 1 2.350 0.05 . 1 . . . . 24 Q HG2 . 17111 1 251 . 1 1 45 45 GLN C C 13 175.377 0.4 . 1 . . . . 24 Q C . 17111 1 252 . 1 1 45 45 GLN CA C 13 56.357 0.4 . 1 . . . . 24 Q CA . 17111 1 253 . 1 1 45 45 GLN CB C 13 29.301 0.4 . 1 . . . . 24 Q CB . 17111 1 254 . 1 1 45 45 GLN CG C 13 35.563 0.4 . 1 . . . . 24 Q CG . 17111 1 255 . 1 1 45 45 GLN N N 15 116.865 0.4 . 1 . . . . 24 Q N . 17111 1 256 . 1 1 45 45 GLN NE2 N 15 113.892 0.4 . 1 . . . . 24 Q NE2 . 17111 1 257 . 1 1 46 46 ILE H H 1 7.462 0.05 . 1 . . . . 25 I HN . 17111 1 258 . 1 1 46 46 ILE HA H 1 3.630 0.05 . 1 . . . . 25 I HA . 17111 1 259 . 1 1 46 46 ILE HB H 1 1.697 0.05 . 1 . . . . 25 I HB . 17111 1 260 . 1 1 46 46 ILE HD11 H 1 -0.279 0.05 . 1 . . . . 25 I HD11 . 17111 1 261 . 1 1 46 46 ILE HD12 H 1 -0.279 0.05 . 1 . . . . 25 I HD12 . 17111 1 262 . 1 1 46 46 ILE HD13 H 1 -0.279 0.05 . 1 . . . . 25 I HD13 . 17111 1 263 . 1 1 46 46 ILE HG12 H 1 1.203 0.05 . 1 . . . . 25 I HG11 . 17111 1 264 . 1 1 46 46 ILE HG13 H 1 1.203 0.05 . 1 . . . . 25 I HG12 . 17111 1 265 . 1 1 46 46 ILE HG21 H 1 0.482 0.05 . 1 . . . . 25 I HG21 . 17111 1 266 . 1 1 46 46 ILE HG22 H 1 0.482 0.05 . 1 . . . . 25 I HG22 . 17111 1 267 . 1 1 46 46 ILE HG23 H 1 0.482 0.05 . 1 . . . . 25 I HG23 . 17111 1 268 . 1 1 46 46 ILE C C 13 175.434 0.4 . 1 . . . . 25 I C . 17111 1 269 . 1 1 46 46 ILE CA C 13 60.257 0.4 . 1 . . . . 25 I CA . 17111 1 270 . 1 1 46 46 ILE CB C 13 35.826 0.4 . 1 . . . . 25 I CB . 17111 1 271 . 1 1 46 46 ILE CD1 C 13 15.770 0.4 . 1 . . . . 25 I CD1 . 17111 1 272 . 1 1 46 46 ILE CG1 C 13 26.774 0.4 . 1 . . . . 25 I CG1 . 17111 1 273 . 1 1 46 46 ILE CG2 C 13 13.875 0.4 . 1 . . . . 25 I CG2 . 17111 1 274 . 1 1 46 46 ILE N N 15 119.844 0.4 . 1 . . . . 25 I N . 17111 1 275 . 1 1 47 47 ARG H H 1 8.308 0.05 . 1 . . . . 26 R HN . 17111 1 276 . 1 1 47 47 ARG HA H 1 4.353 0.05 . 1 . . . . 26 R HA . 17111 1 277 . 1 1 47 47 ARG HB2 H 1 1.973 0.05 . 1 . . . . 26 R HB1 . 17111 1 278 . 1 1 47 47 ARG HB3 H 1 1.802 0.05 . 1 . . . . 26 R HB2 . 17111 1 279 . 1 1 47 47 ARG HG2 H 1 1.498 0.05 . 1 . . . . 26 R HG1 . 17111 1 280 . 1 1 47 47 ARG HG3 H 1 1.498 0.05 . 1 . . . . 26 R HG2 . 17111 1 281 . 1 1 47 47 ARG C C 13 175.074 0.4 . 1 . . . . 26 R C . 17111 1 282 . 1 1 47 47 ARG CA C 13 54.608 0.4 . 1 . . . . 26 R CA . 17111 1 283 . 1 1 47 47 ARG CB C 13 30.538 0.4 . 1 . . . . 26 R CB . 17111 1 284 . 1 1 47 47 ARG N N 15 127.313 0.4 . 1 . . . . 26 R N . 17111 1 285 . 1 1 48 48 ASP H H 1 9.076 0.05 . 1 . . . . 27 D HN . 17111 1 286 . 1 1 48 48 ASP HA H 1 4.363 0.05 . 1 . . . . 27 D HA . 17111 1 287 . 1 1 48 48 ASP HB2 H 1 2.629 0.05 . 1 . . . . 27 D HB1 . 17111 1 288 . 1 1 48 48 ASP HB3 H 1 2.629 0.05 . 1 . . . . 27 D HB2 . 17111 1 289 . 1 1 48 48 ASP CA C 13 58.189 0.4 . 1 . . . . 27 D CA . 17111 1 290 . 1 1 48 48 ASP CB C 13 40.087 0.4 . 1 . . . . 27 D CB . 17111 1 291 . 1 1 48 48 ASP N N 15 122.578 0.4 . 1 . . . . 27 D N . 17111 1 292 . 1 1 49 49 GLY H H 1 8.204 0.05 . 1 . . . . 28 G HN . 17111 1 293 . 1 1 49 49 GLY HA2 H 1 3.572 0.05 . 1 . . . . 28 G HA1 . 17111 1 294 . 1 1 49 49 GLY HA3 H 1 4.217 0.05 . 1 . . . . 28 G HA2 . 17111 1 295 . 1 1 49 49 GLY C C 13 177.282 0.4 . 1 . . . . 28 G C . 17111 1 296 . 1 1 49 49 GLY CA C 13 44.372 0.4 . 1 . . . . 28 G CA . 17111 1 297 . 1 1 49 49 GLY N N 15 102.080 0.4 . 1 . . . . 28 G N . 17111 1 298 . 1 1 50 50 SER H H 1 7.842 0.05 . 1 . . . . 29 S HN . 17111 1 299 . 1 1 50 50 SER HA H 1 4.181 0.05 . 1 . . . . 29 S HA . 17111 1 300 . 1 1 50 50 SER HB2 H 1 3.605 0.05 . 1 . . . . 29 S HB1 . 17111 1 301 . 1 1 50 50 SER HB3 H 1 3.697 0.05 . 1 . . . . 29 S HB2 . 17111 1 302 . 1 1 50 50 SER C C 13 175.430 0.4 . 1 . . . . 29 S C . 17111 1 303 . 1 1 50 50 SER CA C 13 61.059 0.4 . 1 . . . . 29 S CA . 17111 1 304 . 1 1 50 50 SER CB C 13 63.306 0.4 . 1 . . . . 29 S CB . 17111 1 305 . 1 1 50 50 SER N N 15 118.682 0.4 . 1 . . . . 29 S N . 17111 1 306 . 1 1 51 51 ARG H H 1 8.749 0.05 . 1 . . . . 30 R HN . 17111 1 307 . 1 1 51 51 ARG HA H 1 5.003 0.05 . 1 . . . . 30 R HA . 17111 1 308 . 1 1 51 51 ARG HB2 H 1 1.791 0.05 . 1 . . . . 30 R HB1 . 17111 1 309 . 1 1 51 51 ARG HB3 H 1 1.791 0.05 . 1 . . . . 30 R HB2 . 17111 1 310 . 1 1 51 51 ARG HD2 H 1 3.227 0.05 . 1 . . . . 30 R HD1 . 17111 1 311 . 1 1 51 51 ARG HD3 H 1 3.259 0.05 . 1 . . . . 30 R HD2 . 17111 1 312 . 1 1 51 51 ARG HG2 H 1 1.617 0.05 . 1 . . . . 30 R HG1 . 17111 1 313 . 1 1 51 51 ARG HG3 H 1 1.617 0.05 . 1 . . . . 30 R HG2 . 17111 1 314 . 1 1 51 51 ARG C C 13 172.744 0.4 . 1 . . . . 30 R C . 17111 1 315 . 1 1 51 51 ARG CA C 13 54.206 0.4 . 1 . . . . 30 R CA . 17111 1 316 . 1 1 51 51 ARG CB C 13 30.944 0.4 . 1 . . . . 30 R CB . 17111 1 317 . 1 1 51 51 ARG CD C 13 43.083 0.4 . 1 . . . . 30 R CD . 17111 1 318 . 1 1 51 51 ARG CG C 13 29.001 0.4 . 1 . . . . 30 R CG . 17111 1 319 . 1 1 51 51 ARG N N 15 122.571 0.4 . 1 . . . . 30 R N . 17111 1 320 . 1 1 52 52 PHE H H 1 7.548 0.05 . 1 . . . . 31 F HN . 17111 1 321 . 1 1 52 52 PHE HA H 1 4.004 0.05 . 1 . . . . 31 F HA . 17111 1 322 . 1 1 52 52 PHE HB2 H 1 3.067 0.05 . 1 . . . . 31 F HB1 . 17111 1 323 . 1 1 52 52 PHE HB3 H 1 2.811 0.05 . 1 . . . . 31 F HB2 . 17111 1 324 . 1 1 52 52 PHE HD1 H 1 7.109 0.05 . 1 . . . . 31 F HD# . 17111 1 325 . 1 1 52 52 PHE HD2 H 1 7.109 0.05 . 1 . . . . 31 F HD# . 17111 1 326 . 1 1 52 52 PHE HE1 H 1 6.926 0.05 . 1 . . . . 31 F HE# . 17111 1 327 . 1 1 52 52 PHE HE2 H 1 6.926 0.05 . 1 . . . . 31 F HE# . 17111 1 328 . 1 1 52 52 PHE C C 13 177.788 0.4 . 1 . . . . 31 F C . 17111 1 329 . 1 1 52 52 PHE CA C 13 63.109 0.4 . 1 . . . . 31 F CA . 17111 1 330 . 1 1 52 52 PHE CB C 13 38.532 0.4 . 1 . . . . 31 F CB . 17111 1 331 . 1 1 52 52 PHE N N 15 122.455 0.4 . 1 . . . . 31 F N . 17111 1 332 . 1 1 53 53 LEU H H 1 9.045 0.05 . 1 . . . . 32 L HN . 17111 1 333 . 1 1 53 53 LEU HA H 1 4.262 0.05 . 1 . . . . 32 L HA . 17111 1 334 . 1 1 53 53 LEU HB2 H 1 1.742 0.05 . 1 . . . . 32 L HB1 . 17111 1 335 . 1 1 53 53 LEU HB3 H 1 1.633 0.05 . 1 . . . . 32 L HB2 . 17111 1 336 . 1 1 53 53 LEU HD11 H 1 1.022 0.05 . 1 . . . . 32 L HD11 . 17111 1 337 . 1 1 53 53 LEU HD12 H 1 1.022 0.05 . 1 . . . . 32 L HD12 . 17111 1 338 . 1 1 53 53 LEU HD13 H 1 1.022 0.05 . 1 . . . . 32 L HD13 . 17111 1 339 . 1 1 53 53 LEU HD21 H 1 0.931 0.05 . 1 . . . . 32 L HD21 . 17111 1 340 . 1 1 53 53 LEU HD22 H 1 0.931 0.05 . 1 . . . . 32 L HD22 . 17111 1 341 . 1 1 53 53 LEU HD23 H 1 0.931 0.05 . 1 . . . . 32 L HD23 . 17111 1 342 . 1 1 53 53 LEU HG H 1 1.772 0.05 . 1 . . . . 32 L HG . 17111 1 343 . 1 1 53 53 LEU C C 13 177.811 0.4 . 1 . . . . 32 L C . 17111 1 344 . 1 1 53 53 LEU CA C 13 58.075 0.4 . 1 . . . . 32 L CA . 17111 1 345 . 1 1 53 53 LEU CB C 13 41.826 0.4 . 1 . . . . 32 L CB . 17111 1 346 . 1 1 53 53 LEU CD1 C 13 24.535 0.4 . 1 . . . . 32 L CD1 . 17111 1 347 . 1 1 53 53 LEU CD2 C 13 23.825 0.4 . 1 . . . . 32 L CD2 . 17111 1 348 . 1 1 53 53 LEU CG C 13 26.924 0.4 . 1 . . . . 32 L CG . 17111 1 349 . 1 1 53 53 LEU N N 15 117.191 0.4 . 1 . . . . 32 L N . 17111 1 350 . 1 1 54 54 GLU H H 1 7.100 0.05 . 1 . . . . 33 E HN . 17111 1 351 . 1 1 54 54 GLU HA H 1 4.196 0.05 . 1 . . . . 33 E HA . 17111 1 352 . 1 1 54 54 GLU HB2 H 1 2.170 0.05 . 1 . . . . 33 E HB1 . 17111 1 353 . 1 1 54 54 GLU HB3 H 1 2.290 0.05 . 1 . . . . 33 E HB2 . 17111 1 354 . 1 1 54 54 GLU HG2 H 1 2.530 0.05 . 1 . . . . 33 E HG1 . 17111 1 355 . 1 1 54 54 GLU HG3 H 1 2.243 0.05 . 1 . . . . 33 E HG2 . 17111 1 356 . 1 1 54 54 GLU C C 13 180.496 0.4 . 1 . . . . 33 E C . 17111 1 357 . 1 1 54 54 GLU CA C 13 58.076 0.4 . 1 . . . . 33 E CA . 17111 1 358 . 1 1 54 54 GLU CB C 13 29.360 0.4 . 1 . . . . 33 E CB . 17111 1 359 . 1 1 54 54 GLU CG C 13 36.623 0.4 . 1 . . . . 33 E CG . 17111 1 360 . 1 1 54 54 GLU N N 15 118.579 0.4 . 1 . . . . 33 E N . 17111 1 361 . 1 1 55 55 LEU H H 1 7.539 0.05 . 1 . . . . 34 L HN . 17111 1 362 . 1 1 55 55 LEU HA H 1 4.184 0.05 . 1 . . . . 34 L HA . 17111 1 363 . 1 1 55 55 LEU HB2 H 1 1.852 0.05 . 1 . . . . 34 L HB1 . 17111 1 364 . 1 1 55 55 LEU HB3 H 1 1.857 0.05 . 1 . . . . 34 L HB2 . 17111 1 365 . 1 1 55 55 LEU HD11 H 1 0.809 0.05 . 1 . . . . 34 L HD11 . 17111 1 366 . 1 1 55 55 LEU HD12 H 1 0.809 0.05 . 1 . . . . 34 L HD12 . 17111 1 367 . 1 1 55 55 LEU HD13 H 1 0.809 0.05 . 1 . . . . 34 L HD13 . 17111 1 368 . 1 1 55 55 LEU HD21 H 1 0.547 0.05 . 1 . . . . 34 L HD21 . 17111 1 369 . 1 1 55 55 LEU HD22 H 1 0.547 0.05 . 1 . . . . 34 L HD22 . 17111 1 370 . 1 1 55 55 LEU HD23 H 1 0.547 0.05 . 1 . . . . 34 L HD23 . 17111 1 371 . 1 1 55 55 LEU HG H 1 1.442 0.05 . 1 . . . . 34 L HG . 17111 1 372 . 1 1 55 55 LEU CA C 13 55.403 0.4 . 1 . . . . 34 L CA . 17111 1 373 . 1 1 55 55 LEU CB C 13 42.980 0.4 . 1 . . . . 34 L CB . 17111 1 374 . 1 1 55 55 LEU N N 15 118.249 0.4 . 1 . . . . 34 L N . 17111 1 375 . 1 1 56 56 GLY H H 1 7.458 0.05 . 1 . . . . 35 G HN . 17111 1 376 . 1 1 56 56 GLY HA2 H 1 4.181 0.05 . 1 . . . . 35 G HA1 . 17111 1 377 . 1 1 56 56 GLY HA3 H 1 3.713 0.05 . 1 . . . . 35 G HA2 . 17111 1 378 . 1 1 56 56 GLY C C 13 176.513 0.4 . 1 . . . . 35 G C . 17111 1 379 . 1 1 56 56 GLY CA C 13 44.963 0.4 . 1 . . . . 35 G CA . 17111 1 380 . 1 1 56 56 GLY N N 15 103.090 0.4 . 1 . . . . 35 G N . 17111 1 381 . 1 1 57 57 LEU H H 1 7.337 0.05 . 1 . . . . 36 L HN . 17111 1 382 . 1 1 57 57 LEU HA H 1 4.047 0.05 . 1 . . . . 36 L HA . 17111 1 383 . 1 1 57 57 LEU HB2 H 1 1.721 0.05 . 1 . . . . 36 L HB1 . 17111 1 384 . 1 1 57 57 LEU HB3 H 1 1.179 0.05 . 1 . . . . 36 L HB2 . 17111 1 385 . 1 1 57 57 LEU HD11 H 1 0.755 0.05 . 1 . . . . 36 L HD11 . 17111 1 386 . 1 1 57 57 LEU HD12 H 1 0.755 0.05 . 1 . . . . 36 L HD12 . 17111 1 387 . 1 1 57 57 LEU HD13 H 1 0.755 0.05 . 1 . . . . 36 L HD13 . 17111 1 388 . 1 1 57 57 LEU HD21 H 1 0.620 0.05 . 1 . . . . 36 L HD21 . 17111 1 389 . 1 1 57 57 LEU HD22 H 1 0.620 0.05 . 1 . . . . 36 L HD22 . 17111 1 390 . 1 1 57 57 LEU HD23 H 1 0.620 0.05 . 1 . . . . 36 L HD23 . 17111 1 391 . 1 1 57 57 LEU HG H 1 1.522 0.05 . 1 . . . . 36 L HG . 17111 1 392 . 1 1 57 57 LEU C C 13 174.654 0.4 . 1 . . . . 36 L C . 17111 1 393 . 1 1 57 57 LEU CA C 13 56.325 0.4 . 1 . . . . 36 L CA . 17111 1 394 . 1 1 57 57 LEU CB C 13 42.280 0.4 . 1 . . . . 36 L CB . 17111 1 395 . 1 1 57 57 LEU CD1 C 13 25.165 0.4 . 1 . . . . 36 L CD1 . 17111 1 396 . 1 1 57 57 LEU CD2 C 13 26.811 0.4 . 1 . . . . 36 L CD2 . 17111 1 397 . 1 1 57 57 LEU CG C 13 26.630 0.4 . 1 . . . . 36 L CG . 17111 1 398 . 1 1 57 57 LEU N N 15 120.463 0.4 . 1 . . . . 36 L N . 17111 1 399 . 1 1 58 58 ASP H H 1 7.159 0.05 . 1 . . . . 37 D HN . 17111 1 400 . 1 1 58 58 ASP HA H 1 4.729 0.05 . 1 . . . . 37 D HA . 17111 1 401 . 1 1 58 58 ASP HB2 H 1 2.708 0.05 . 1 . . . . 37 D HB1 . 17111 1 402 . 1 1 58 58 ASP HB3 H 1 3.174 0.05 . 1 . . . . 37 D HB2 . 17111 1 403 . 1 1 58 58 ASP C C 13 174.316 0.4 . 1 . . . . 37 D C . 17111 1 404 . 1 1 58 58 ASP CA C 13 51.990 0.4 . 1 . . . . 37 D CA . 17111 1 405 . 1 1 58 58 ASP CB C 13 42.395 0.4 . 1 . . . . 37 D CB . 17111 1 406 . 1 1 58 58 ASP N N 15 123.819 0.4 . 1 . . . . 37 D N . 17111 1 407 . 1 1 59 59 SER H H 1 8.582 0.05 . 1 . . . . 38 S HN . 17111 1 408 . 1 1 59 59 SER HA H 1 4.174 0.05 . 1 . . . . 38 S HA . 17111 1 409 . 1 1 59 59 SER HB2 H 1 3.996 0.05 . 1 . . . . 38 S HB1 . 17111 1 410 . 1 1 59 59 SER HB3 H 1 3.996 0.05 . 1 . . . . 38 S HB2 . 17111 1 411 . 1 1 59 59 SER C C 13 176.950 0.4 . 1 . . . . 38 S C . 17111 1 412 . 1 1 59 59 SER CA C 13 61.839 0.4 . 1 . . . . 38 S CA . 17111 1 413 . 1 1 59 59 SER CB C 13 62.535 0.4 . 1 . . . . 38 S CB . 17111 1 414 . 1 1 59 59 SER N N 15 112.882 0.4 . 1 . . . . 38 S N . 17111 1 415 . 1 1 60 60 VAL H H 1 7.831 0.05 . 1 . . . . 39 V HN . 17111 1 416 . 1 1 60 60 VAL HA H 1 3.817 0.05 . 1 . . . . 39 V HA . 17111 1 417 . 1 1 60 60 VAL HB H 1 2.346 0.05 . 1 . . . . 39 V HB . 17111 1 418 . 1 1 60 60 VAL HG11 H 1 0.975 0.05 . 1 . . . . 39 V HG11 . 17111 1 419 . 1 1 60 60 VAL HG12 H 1 0.975 0.05 . 1 . . . . 39 V HG12 . 17111 1 420 . 1 1 60 60 VAL HG13 H 1 0.975 0.05 . 1 . . . . 39 V HG13 . 17111 1 421 . 1 1 60 60 VAL HG21 H 1 1.015 0.05 . 1 . . . . 39 V HG21 . 17111 1 422 . 1 1 60 60 VAL HG22 H 1 1.015 0.05 . 1 . . . . 39 V HG22 . 17111 1 423 . 1 1 60 60 VAL HG23 H 1 1.015 0.05 . 1 . . . . 39 V HG23 . 17111 1 424 . 1 1 60 60 VAL C C 13 176.778 0.4 . 1 . . . . 39 V C . 17111 1 425 . 1 1 60 60 VAL CA C 13 66.153 0.4 . 1 . . . . 39 V CA . 17111 1 426 . 1 1 60 60 VAL CB C 13 31.807 0.4 . 1 . . . . 39 V CB . 17111 1 427 . 1 1 60 60 VAL CG1 C 13 20.678 0.4 . 1 . . . . 39 V CG1 . 17111 1 428 . 1 1 60 60 VAL CG2 C 13 21.901 0.4 . 1 . . . . 39 V CG2 . 17111 1 429 . 1 1 60 60 VAL N N 15 125.126 0.4 . 1 . . . . 39 V N . 17111 1 430 . 1 1 61 61 ILE H H 1 8.761 0.05 . 1 . . . . 40 I HN . 17111 1 431 . 1 1 61 61 ILE HA H 1 3.893 0.05 . 1 . . . . 40 I HA . 17111 1 432 . 1 1 61 61 ILE HB H 1 1.710 0.05 . 1 . . . . 40 I HB . 17111 1 433 . 1 1 61 61 ILE HD11 H 1 0.888 0.05 . 1 . . . . 40 I HD11 . 17111 1 434 . 1 1 61 61 ILE HD12 H 1 0.888 0.05 . 1 . . . . 40 I HD12 . 17111 1 435 . 1 1 61 61 ILE HD13 H 1 0.888 0.05 . 1 . . . . 40 I HD13 . 17111 1 436 . 1 1 61 61 ILE HG12 H 1 1.806 0.05 . 1 . . . . 40 I HG11 . 17111 1 437 . 1 1 61 61 ILE HG13 H 1 1.334 0.05 . 1 . . . . 40 I HG12 . 17111 1 438 . 1 1 61 61 ILE HG21 H 1 0.816 0.05 . 1 . . . . 40 I HG21 . 17111 1 439 . 1 1 61 61 ILE HG22 H 1 0.816 0.05 . 1 . . . . 40 I HG22 . 17111 1 440 . 1 1 61 61 ILE HG23 H 1 0.816 0.05 . 1 . . . . 40 I HG23 . 17111 1 441 . 1 1 61 61 ILE C C 13 179.051 0.4 . 1 . . . . 40 I C . 17111 1 442 . 1 1 61 61 ILE CA C 13 64.177 0.4 . 1 . . . . 40 I CA . 17111 1 443 . 1 1 61 61 ILE CB C 13 37.956 0.4 . 1 . . . . 40 I CB . 17111 1 444 . 1 1 61 61 ILE CD1 C 13 11.326 0.4 . 1 . . . . 40 I CD1 . 17111 1 445 . 1 1 61 61 ILE CG1 C 13 28.256 0.4 . 1 . . . . 40 I CG1 . 17111 1 446 . 1 1 61 61 ILE CG2 C 13 18.016 0.4 . 1 . . . . 40 I CG2 . 17111 1 447 . 1 1 61 61 ILE N N 15 122.260 0.4 . 1 . . . . 40 I N . 17111 1 448 . 1 1 62 62 ALA H H 1 8.740 0.05 . 1 . . . . 41 A HN . 17111 1 449 . 1 1 62 62 ALA HA H 1 4.007 0.05 . 1 . . . . 41 A HA . 17111 1 450 . 1 1 62 62 ALA HB1 H 1 1.435 0.05 . 1 . . . . 41 A HB1 . 17111 1 451 . 1 1 62 62 ALA HB2 H 1 1.435 0.05 . 1 . . . . 41 A HB2 . 17111 1 452 . 1 1 62 62 ALA HB3 H 1 1.435 0.05 . 1 . . . . 41 A HB3 . 17111 1 453 . 1 1 62 62 ALA C C 13 178.639 0.4 . 1 . . . . 41 A C . 17111 1 454 . 1 1 62 62 ALA CA C 13 56.014 0.4 . 1 . . . . 41 A CA . 17111 1 455 . 1 1 62 62 ALA CB C 13 18.534 0.4 . 1 . . . . 41 A CB . 17111 1 456 . 1 1 62 62 ALA N N 15 120.499 0.4 . 1 . . . . 41 A N . 17111 1 457 . 1 1 63 63 ALA H H 1 7.512 0.05 . 1 . . . . 42 A HN . 17111 1 458 . 1 1 63 63 ALA HA H 1 4.010 0.05 . 1 . . . . 42 A HA . 17111 1 459 . 1 1 63 63 ALA HB1 H 1 1.622 0.05 . 1 . . . . 42 A HB1 . 17111 1 460 . 1 1 63 63 ALA HB2 H 1 1.622 0.05 . 1 . . . . 42 A HB2 . 17111 1 461 . 1 1 63 63 ALA HB3 H 1 1.622 0.05 . 1 . . . . 42 A HB3 . 17111 1 462 . 1 1 63 63 ALA CA C 13 55.297 0.4 . 1 . . . . 42 A CA . 17111 1 463 . 1 1 63 63 ALA CB C 13 18.076 0.4 . 1 . . . . 42 A CB . 17111 1 464 . 1 1 63 63 ALA N N 15 117.095 0.4 . 1 . . . . 42 A N . 17111 1 465 . 1 1 64 64 GLN H H 1 7.745 0.05 . 1 . . . . 43 Q HN . 17111 1 466 . 1 1 64 64 GLN HA H 1 4.089 0.05 . 1 . . . . 43 Q HA . 17111 1 467 . 1 1 64 64 GLN HB2 H 1 2.189 0.05 . 1 . . . . 43 Q HB1 . 17111 1 468 . 1 1 64 64 GLN HB3 H 1 2.334 0.05 . 1 . . . . 43 Q HB2 . 17111 1 469 . 1 1 64 64 GLN HG2 H 1 2.611 0.05 . 1 . . . . 43 Q HG1 . 17111 1 470 . 1 1 64 64 GLN HG3 H 1 2.500 0.05 . 1 . . . . 43 Q HG2 . 17111 1 471 . 1 1 64 64 GLN C C 13 180.696 0.4 . 1 . . . . 43 Q C . 17111 1 472 . 1 1 64 64 GLN CA C 13 58.896 0.4 . 1 . . . . 43 Q CA . 17111 1 473 . 1 1 64 64 GLN CB C 13 29.080 0.4 . 1 . . . . 43 Q CB . 17111 1 474 . 1 1 64 64 GLN CG C 13 33.860 0.4 . 1 . . . . 43 Q CG . 17111 1 475 . 1 1 64 64 GLN N N 15 118.652 0.4 . 1 . . . . 43 Q N . 17111 1 476 . 1 1 65 65 TRP H H 1 9.043 0.05 . 1 . . . . 44 W HN . 17111 1 477 . 1 1 65 65 TRP HA H 1 4.416 0.05 . 1 . . . . 44 W HA . 17111 1 478 . 1 1 65 65 TRP HB2 H 1 3.182 0.05 . 1 . . . . 44 W HB1 . 17111 1 479 . 1 1 65 65 TRP HB3 H 1 3.450 0.05 . 1 . . . . 44 W HB2 . 17111 1 480 . 1 1 65 65 TRP HD1 H 1 6.915 0.05 . 1 . . . . 44 W HD1 . 17111 1 481 . 1 1 65 65 TRP HE1 H 1 10.079 0.05 . 1 . . . . 44 W HE1 . 17111 1 482 . 1 1 65 65 TRP HE3 H 1 7.077 0.05 . 1 . . . . 44 W HE3 . 17111 1 483 . 1 1 65 65 TRP HH2 H 1 6.926 0.05 . 1 . . . . 44 W HH2 . 17111 1 484 . 1 1 65 65 TRP HZ2 H 1 7.930 0.05 . 1 . . . . 44 W HZ2 . 17111 1 485 . 1 1 65 65 TRP C C 13 178.341 0.4 . 1 . . . . 44 W C . 17111 1 486 . 1 1 65 65 TRP CA C 13 60.584 0.4 . 1 . . . . 44 W CA . 17111 1 487 . 1 1 65 65 TRP CB C 13 28.198 0.4 . 1 . . . . 44 W CB . 17111 1 488 . 1 1 65 65 TRP N N 15 123.360 0.4 . 1 . . . . 44 W N . 17111 1 489 . 1 1 65 65 TRP NE1 N 15 129.780 0.4 . 1 . . . . 44 W NE1 . 17111 1 490 . 1 1 66 66 ILE H H 1 8.759 0.05 . 1 . . . . 45 I HN . 17111 1 491 . 1 1 66 66 ILE HA H 1 3.274 0.05 . 1 . . . . 45 I HA . 17111 1 492 . 1 1 66 66 ILE HB H 1 1.974 0.05 . 1 . . . . 45 I HB . 17111 1 493 . 1 1 66 66 ILE HD11 H 1 0.892 0.05 . 1 . . . . 45 I HD11 . 17111 1 494 . 1 1 66 66 ILE HD12 H 1 0.892 0.05 . 1 . . . . 45 I HD12 . 17111 1 495 . 1 1 66 66 ILE HD13 H 1 0.892 0.05 . 1 . . . . 45 I HD13 . 17111 1 496 . 1 1 66 66 ILE HG12 H 1 1.693 0.05 . 1 . . . . 45 I HG11 . 17111 1 497 . 1 1 66 66 ILE HG13 H 1 1.092 0.05 . 1 . . . . 45 I HG12 . 17111 1 498 . 1 1 66 66 ILE HG21 H 1 0.749 0.05 . 1 . . . . 45 I HG21 . 17111 1 499 . 1 1 66 66 ILE HG22 H 1 0.749 0.05 . 1 . . . . 45 I HG22 . 17111 1 500 . 1 1 66 66 ILE HG23 H 1 0.749 0.05 . 1 . . . . 45 I HG23 . 17111 1 501 . 1 1 66 66 ILE C C 13 177.758 0.4 . 1 . . . . 45 I C . 17111 1 502 . 1 1 66 66 ILE CA C 13 64.543 0.4 . 1 . . . . 45 I CA . 17111 1 503 . 1 1 66 66 ILE CB C 13 37.251 0.4 . 1 . . . . 45 I CB . 17111 1 504 . 1 1 66 66 ILE CD1 C 13 12.784 0.4 . 1 . . . . 45 I CD1 . 17111 1 505 . 1 1 66 66 ILE CG1 C 13 31.196 0.4 . 1 . . . . 45 I CG1 . 17111 1 506 . 1 1 66 66 ILE CG2 C 13 18.107 0.4 . 1 . . . . 45 I CG2 . 17111 1 507 . 1 1 66 66 ILE N N 15 118.568 0.4 . 1 . . . . 45 I N . 17111 1 508 . 1 1 67 67 ARG H H 1 7.887 0.05 . 1 . . . . 46 R HN . 17111 1 509 . 1 1 67 67 ARG HA H 1 4.092 0.05 . 1 . . . . 46 R HA . 17111 1 510 . 1 1 67 67 ARG HB2 H 1 1.910 0.05 . 1 . . . . 46 R HB1 . 17111 1 511 . 1 1 67 67 ARG HB3 H 1 2.075 0.05 . 1 . . . . 46 R HB2 . 17111 1 512 . 1 1 67 67 ARG HD2 H 1 3.259 0.05 . 1 . . . . 46 R HD1 . 17111 1 513 . 1 1 67 67 ARG HD3 H 1 3.259 0.05 . 1 . . . . 46 R HD2 . 17111 1 514 . 1 1 67 67 ARG HG2 H 1 1.623 0.05 . 1 . . . . 46 R HG1 . 17111 1 515 . 1 1 67 67 ARG HG3 H 1 1.919 0.05 . 1 . . . . 46 R HG2 . 17111 1 516 . 1 1 67 67 ARG C C 13 177.589 0.4 . 1 . . . . 46 R C . 17111 1 517 . 1 1 67 67 ARG CA C 13 60.350 0.4 . 1 . . . . 46 R CA . 17111 1 518 . 1 1 67 67 ARG CB C 13 30.005 0.4 . 1 . . . . 46 R CB . 17111 1 519 . 1 1 67 67 ARG CD C 13 43.730 0.4 . 1 . . . . 46 R CD . 17111 1 520 . 1 1 67 67 ARG CG C 13 27.984 0.4 . 1 . . . . 46 R CG . 17111 1 521 . 1 1 67 67 ARG N N 15 119.388 0.4 . 1 . . . . 46 R N . 17111 1 522 . 1 1 68 68 GLU H H 1 7.750 0.05 . 1 . . . . 47 E HN . 17111 1 523 . 1 1 68 68 GLU HA H 1 4.177 0.05 . 1 . . . . 47 E HA . 17111 1 524 . 1 1 68 68 GLU HB2 H 1 2.355 0.05 . 1 . . . . 47 E HB1 . 17111 1 525 . 1 1 68 68 GLU HB3 H 1 2.355 0.05 . 1 . . . . 47 E HB2 . 17111 1 526 . 1 1 68 68 GLU HG2 H 1 2.500 0.05 . 1 . . . . 47 E HG1 . 17111 1 527 . 1 1 68 68 GLU HG3 H 1 2.500 0.05 . 1 . . . . 47 E HG2 . 17111 1 528 . 1 1 68 68 GLU C C 13 179.507 0.4 . 1 . . . . 47 E C . 17111 1 529 . 1 1 68 68 GLU CA C 13 59.334 0.4 . 1 . . . . 47 E CA . 17111 1 530 . 1 1 68 68 GLU CB C 13 28.937 0.4 . 1 . . . . 47 E CB . 17111 1 531 . 1 1 68 68 GLU CG C 13 35.359 0.4 . 1 . . . . 47 E CG . 17111 1 532 . 1 1 68 68 GLU N N 15 120.449 0.4 . 1 . . . . 47 E N . 17111 1 533 . 1 1 69 69 ILE H H 1 8.392 0.05 . 1 . . . . 48 I HN . 17111 1 534 . 1 1 69 69 ILE HA H 1 3.538 0.05 . 1 . . . . 48 I HA . 17111 1 535 . 1 1 69 69 ILE HB H 1 1.706 0.05 . 1 . . . . 48 I HB . 17111 1 536 . 1 1 69 69 ILE HD11 H 1 -0.327 0.05 . 1 . . . . 48 I HD11 . 17111 1 537 . 1 1 69 69 ILE HD12 H 1 -0.327 0.05 . 1 . . . . 48 I HD12 . 17111 1 538 . 1 1 69 69 ILE HD13 H 1 -0.327 0.05 . 1 . . . . 48 I HD13 . 17111 1 539 . 1 1 69 69 ILE HG12 H 1 1.306 0.05 . 1 . . . . 48 I HG11 . 17111 1 540 . 1 1 69 69 ILE HG13 H 1 0.514 0.05 . 1 . . . . 48 I HG12 . 17111 1 541 . 1 1 69 69 ILE HG21 H 1 0.812 0.05 . 1 . . . . 48 I HG21 . 17111 1 542 . 1 1 69 69 ILE HG22 H 1 0.812 0.05 . 1 . . . . 48 I HG22 . 17111 1 543 . 1 1 69 69 ILE HG23 H 1 0.812 0.05 . 1 . . . . 48 I HG23 . 17111 1 544 . 1 1 69 69 ILE C C 13 179.672 0.4 . 1 . . . . 48 I C . 17111 1 545 . 1 1 69 69 ILE CA C 13 66.532 0.4 . 1 . . . . 48 I CA . 17111 1 546 . 1 1 69 69 ILE CB C 13 38.551 0.4 . 1 . . . . 48 I CB . 17111 1 547 . 1 1 69 69 ILE CD1 C 13 13.158 0.4 . 1 . . . . 48 I CD1 . 17111 1 548 . 1 1 69 69 ILE CG1 C 13 27.309 0.4 . 1 . . . . 48 I CG1 . 17111 1 549 . 1 1 69 69 ILE CG2 C 13 17.951 0.4 . 1 . . . . 48 I CG2 . 17111 1 550 . 1 1 69 69 ILE N N 15 122.836 0.4 . 1 . . . . 48 I N . 17111 1 551 . 1 1 70 70 ASN H H 1 8.733 0.05 . 1 . . . . 49 N HN . 17111 1 552 . 1 1 70 70 ASN HA H 1 4.279 0.05 . 1 . . . . 49 N HA . 17111 1 553 . 1 1 70 70 ASN HB2 H 1 2.818 0.05 . 1 . . . . 49 N HB1 . 17111 1 554 . 1 1 70 70 ASN HB3 H 1 2.813 0.05 . 1 . . . . 49 N HB2 . 17111 1 555 . 1 1 70 70 ASN HD21 H 1 7.095 0.05 . 1 . . . . 49 N HD21 . 17111 1 556 . 1 1 70 70 ASN HD22 H 1 7.207 0.05 . 1 . . . . 49 N HD22 . 17111 1 557 . 1 1 70 70 ASN C C 13 177.664 0.4 . 1 . . . . 49 N C . 17111 1 558 . 1 1 70 70 ASN CA C 13 55.750 0.4 . 1 . . . . 49 N CA . 17111 1 559 . 1 1 70 70 ASN CB C 13 37.675 0.4 . 1 . . . . 49 N CB . 17111 1 560 . 1 1 70 70 ASN N N 15 118.559 0.4 . 1 . . . . 49 N N . 17111 1 561 . 1 1 70 70 ASN ND2 N 15 106.802 0.4 . 1 . . . . 49 N ND2 . 17111 1 562 . 1 1 71 71 LYS H H 1 8.094 0.05 . 1 . . . . 50 K HN . 17111 1 563 . 1 1 71 71 LYS HA H 1 4.096 0.05 . 1 . . . . 50 K HA . 17111 1 564 . 1 1 71 71 LYS HB2 H 1 1.904 0.05 . 1 . . . . 50 K HB1 . 17111 1 565 . 1 1 71 71 LYS HB3 H 1 1.715 0.05 . 1 . . . . 50 K HB2 . 17111 1 566 . 1 1 71 71 LYS HD2 H 1 1.680 0.05 . 1 . . . . 50 K HD1 . 17111 1 567 . 1 1 71 71 LYS HD3 H 1 1.680 0.05 . 1 . . . . 50 K HD2 . 17111 1 568 . 1 1 71 71 LYS HE2 H 1 2.972 0.05 . 1 . . . . 50 K HE1 . 17111 1 569 . 1 1 71 71 LYS HE3 H 1 2.972 0.05 . 1 . . . . 50 K HE2 . 17111 1 570 . 1 1 71 71 LYS HG2 H 1 1.424 0.05 . 1 . . . . 50 K HG1 . 17111 1 571 . 1 1 71 71 LYS HG3 H 1 1.564 0.05 . 1 . . . . 50 K HG2 . 17111 1 572 . 1 1 71 71 LYS C C 13 179.247 0.4 . 1 . . . . 50 K C . 17111 1 573 . 1 1 71 71 LYS CA C 13 58.754 0.4 . 1 . . . . 50 K CA . 17111 1 574 . 1 1 71 71 LYS CB C 13 32.647 0.4 . 1 . . . . 50 K CB . 17111 1 575 . 1 1 71 71 LYS CD C 13 29.271 0.4 . 1 . . . . 50 K CD . 17111 1 576 . 1 1 71 71 LYS CE C 13 42.051 0.4 . 1 . . . . 50 K CE . 17111 1 577 . 1 1 71 71 LYS CG C 13 24.789 0.4 . 1 . . . . 50 K CG . 17111 1 578 . 1 1 71 71 LYS N N 15 119.664 0.4 . 1 . . . . 50 K N . 17111 1 579 . 1 1 72 72 HIS H H 1 8.204 0.05 . 1 . . . . 51 H HN . 17111 1 580 . 1 1 72 72 HIS HA H 1 4.018 0.05 . 1 . . . . 51 H HA . 17111 1 581 . 1 1 72 72 HIS HB2 H 1 2.878 0.05 . 1 . . . . 51 H HB1 . 17111 1 582 . 1 1 72 72 HIS HB3 H 1 2.358 0.05 . 1 . . . . 51 H HB2 . 17111 1 583 . 1 1 72 72 HIS C C 13 178.065 0.4 . 1 . . . . 51 H C . 17111 1 584 . 1 1 72 72 HIS CA C 13 59.507 0.4 . 1 . . . . 51 H CA . 17111 1 585 . 1 1 72 72 HIS CB C 13 30.884 0.4 . 1 . . . . 51 H CB . 17111 1 586 . 1 1 72 72 HIS N N 15 118.347 0.4 . 1 . . . . 51 H N . 17111 1 587 . 1 1 73 73 TYR H H 1 7.920 0.05 . 1 . . . . 52 Y HN . 17111 1 588 . 1 1 73 73 TYR HA H 1 4.552 0.05 . 1 . . . . 52 Y HA . 17111 1 589 . 1 1 73 73 TYR HB2 H 1 3.171 0.05 . 1 . . . . 52 Y HB1 . 17111 1 590 . 1 1 73 73 TYR HB3 H 1 3.170 0.05 . 1 . . . . 52 Y HB2 . 17111 1 591 . 1 1 73 73 TYR HD1 H 1 6.916 0.05 . 1 . . . . 52 Y HD# . 17111 1 592 . 1 1 73 73 TYR HD2 H 1 6.916 0.05 . 1 . . . . 52 Y HD# . 17111 1 593 . 1 1 73 73 TYR HE1 H 1 6.645 0.05 . 1 . . . . 52 Y HE# . 17111 1 594 . 1 1 73 73 TYR HE2 H 1 6.645 0.05 . 1 . . . . 52 Y HE# . 17111 1 595 . 1 1 73 73 TYR C C 13 176.770 0.4 . 1 . . . . 52 Y C . 17111 1 596 . 1 1 73 73 TYR CA C 13 56.812 0.4 . 1 . . . . 52 Y CA . 17111 1 597 . 1 1 73 73 TYR CB C 13 40.000 0.4 . 1 . . . . 52 Y CB . 17111 1 598 . 1 1 73 73 TYR N N 15 112.431 0.4 . 1 . . . . 52 Y N . 17111 1 599 . 1 1 74 74 GLN H H 1 7.734 0.05 . 1 . . . . 53 Q HN . 17111 1 600 . 1 1 74 74 GLN HA H 1 4.062 0.05 . 1 . . . . 53 Q HA . 17111 1 601 . 1 1 74 74 GLN HB2 H 1 2.309 0.05 . 1 . . . . 53 Q HB1 . 17111 1 602 . 1 1 74 74 GLN HB3 H 1 2.127 0.05 . 1 . . . . 53 Q HB2 . 17111 1 603 . 1 1 74 74 GLN HE21 H 1 6.745 0.05 . 1 . . . . 53 Q HE21 . 17111 1 604 . 1 1 74 74 GLN HE22 H 1 6.745 0.05 . 1 . . . . 53 Q HE22 . 17111 1 605 . 1 1 74 74 GLN HG2 H 1 2.214 0.05 . 1 . . . . 53 Q HG1 . 17111 1 606 . 1 1 74 74 GLN HG3 H 1 2.215 0.05 . 1 . . . . 53 Q HG2 . 17111 1 607 . 1 1 74 74 GLN C C 13 174.446 0.4 . 1 . . . . 53 Q C . 17111 1 608 . 1 1 74 74 GLN CA C 13 56.882 0.4 . 1 . . . . 53 Q CA . 17111 1 609 . 1 1 74 74 GLN CB C 13 25.651 0.4 . 1 . . . . 53 Q CB . 17111 1 610 . 1 1 74 74 GLN CG C 13 34.440 0.4 . 1 . . . . 53 Q CG . 17111 1 611 . 1 1 74 74 GLN N N 15 118.413 0.4 . 1 . . . . 53 Q N . 17111 1 612 . 1 1 75 75 LEU H H 1 7.759 0.05 . 1 . . . . 54 L HN . 17111 1 613 . 1 1 75 75 LEU HA H 1 4.643 0.05 . 1 . . . . 54 L HA . 17111 1 614 . 1 1 75 75 LEU HB2 H 1 1.875 0.05 . 1 . . . . 54 L HB1 . 17111 1 615 . 1 1 75 75 LEU HB3 H 1 1.489 0.05 . 1 . . . . 54 L HB2 . 17111 1 616 . 1 1 75 75 LEU HD11 H 1 0.433 0.05 . 1 . . . . 54 L HD11 . 17111 1 617 . 1 1 75 75 LEU HD12 H 1 0.433 0.05 . 1 . . . . 54 L HD12 . 17111 1 618 . 1 1 75 75 LEU HD13 H 1 0.433 0.05 . 1 . . . . 54 L HD13 . 17111 1 619 . 1 1 75 75 LEU HD21 H 1 0.640 0.05 . 1 . . . . 54 L HD21 . 17111 1 620 . 1 1 75 75 LEU HD22 H 1 0.640 0.05 . 1 . . . . 54 L HD22 . 17111 1 621 . 1 1 75 75 LEU HD23 H 1 0.640 0.05 . 1 . . . . 54 L HD23 . 17111 1 622 . 1 1 75 75 LEU HG H 1 1.365 0.05 . 1 . . . . 54 L HG . 17111 1 623 . 1 1 75 75 LEU C C 13 175.311 0.4 . 1 . . . . 54 L C . 17111 1 624 . 1 1 75 75 LEU CA C 13 52.547 0.4 . 1 . . . . 54 L CA . 17111 1 625 . 1 1 75 75 LEU CB C 13 46.196 0.4 . 1 . . . . 54 L CB . 17111 1 626 . 1 1 75 75 LEU CD1 C 13 25.500 0.4 . 1 . . . . 54 L CD1 . 17111 1 627 . 1 1 75 75 LEU CD2 C 13 22.990 0.4 . 1 . . . . 54 L CD2 . 17111 1 628 . 1 1 75 75 LEU N N 15 117.875 0.4 . 1 . . . . 54 L N . 17111 1 629 . 1 1 76 76 LYS H H 1 8.252 0.05 . 1 . . . . 55 K HN . 17111 1 630 . 1 1 76 76 LYS HA H 1 4.343 0.05 . 1 . . . . 55 K HA . 17111 1 631 . 1 1 76 76 LYS HB2 H 1 1.437 0.05 . 1 . . . . 55 K HB1 . 17111 1 632 . 1 1 76 76 LYS HB3 H 1 1.793 0.05 . 1 . . . . 55 K HB2 . 17111 1 633 . 1 1 76 76 LYS HD2 H 1 1.585 0.05 . 1 . . . . 55 K HD1 . 17111 1 634 . 1 1 76 76 LYS HD3 H 1 1.645 0.05 . 1 . . . . 55 K HD2 . 17111 1 635 . 1 1 76 76 LYS HE2 H 1 2.903 0.05 . 1 . . . . 55 K HE1 . 17111 1 636 . 1 1 76 76 LYS HE3 H 1 2.899 0.05 . 1 . . . . 55 K HE2 . 17111 1 637 . 1 1 76 76 LYS HG2 H 1 1.244 0.05 . 1 . . . . 55 K HG1 . 17111 1 638 . 1 1 76 76 LYS HG3 H 1 1.244 0.05 . 1 . . . . 55 K HG2 . 17111 1 639 . 1 1 76 76 LYS CA C 13 54.072 0.4 . 1 . . . . 55 K CA . 17111 1 640 . 1 1 76 76 LYS CB C 13 32.504 0.4 . 1 . . . . 55 K CB . 17111 1 641 . 1 1 76 76 LYS CD C 13 29.469 0.4 . 1 . . . . 55 K CD . 17111 1 642 . 1 1 76 76 LYS CE C 13 42.223 0.4 . 1 . . . . 55 K CE . 17111 1 643 . 1 1 76 76 LYS CG C 13 24.246 0.4 . 1 . . . . 55 K CG . 17111 1 644 . 1 1 76 76 LYS N N 15 121.285 0.4 . 1 . . . . 55 K N . 17111 1 645 . 1 1 77 77 ILE H H 1 9.272 0.05 . 1 . . . . 56 I HN . 17111 1 646 . 1 1 77 77 ILE HA H 1 4.171 0.05 . 1 . . . . 56 I HA . 17111 1 647 . 1 1 77 77 ILE HB H 1 1.970 0.05 . 1 . . . . 56 I HB . 17111 1 648 . 1 1 77 77 ILE HD11 H 1 0.426 0.05 . 1 . . . . 56 I HD11 . 17111 1 649 . 1 1 77 77 ILE HD12 H 1 0.426 0.05 . 1 . . . . 56 I HD12 . 17111 1 650 . 1 1 77 77 ILE HD13 H 1 0.426 0.05 . 1 . . . . 56 I HD13 . 17111 1 651 . 1 1 77 77 ILE HG12 H 1 1.124 0.05 . 1 . . . . 56 I HG11 . 17111 1 652 . 1 1 77 77 ILE HG13 H 1 1.360 0.05 . 1 . . . . 56 I HG12 . 17111 1 653 . 1 1 77 77 ILE HG21 H 1 1.018 0.05 . 1 . . . . 56 I HG21 . 17111 1 654 . 1 1 77 77 ILE HG22 H 1 1.018 0.05 . 1 . . . . 56 I HG22 . 17111 1 655 . 1 1 77 77 ILE HG23 H 1 1.018 0.05 . 1 . . . . 56 I HG23 . 17111 1 656 . 1 1 77 77 ILE C C 13 176.594 0.4 . 1 . . . . 56 I C . 17111 1 657 . 1 1 77 77 ILE CA C 13 59.961 0.4 . 1 . . . . 56 I CA . 17111 1 658 . 1 1 77 77 ILE CB C 13 37.515 0.4 . 1 . . . . 56 I CB . 17111 1 659 . 1 1 77 77 ILE CD1 C 13 13.243 0.4 . 1 . . . . 56 I CD1 . 17111 1 660 . 1 1 77 77 ILE CG1 C 13 27.010 0.4 . 1 . . . . 56 I CG1 . 17111 1 661 . 1 1 77 77 ILE CG2 C 13 16.845 0.4 . 1 . . . . 56 I CG2 . 17111 1 662 . 1 1 77 77 ILE N N 15 125.885 0.4 . 1 . . . . 56 I N . 17111 1 663 . 1 1 78 78 PRO HA H 1 4.599 0.05 . 1 . . . . 57 P HA . 17111 1 664 . 1 1 78 78 PRO HB2 H 1 2.336 0.05 . 1 . . . . 57 P HB1 . 17111 1 665 . 1 1 78 78 PRO HB3 H 1 2.336 0.05 . 1 . . . . 57 P HB2 . 17111 1 666 . 1 1 78 78 PRO HD2 H 1 4.022 0.05 . 1 . . . . 57 P HD1 . 17111 1 667 . 1 1 78 78 PRO HD3 H 1 4.033 0.05 . 1 . . . . 57 P HD2 . 17111 1 668 . 1 1 78 78 PRO HG2 H 1 2.234 0.05 . 1 . . . . 57 P HG1 . 17111 1 669 . 1 1 78 78 PRO HG3 H 1 2.234 0.05 . 1 . . . . 57 P HG2 . 17111 1 670 . 1 1 78 78 PRO CA C 13 62.177 0.4 . 1 . . . . 57 P CA . 17111 1 671 . 1 1 78 78 PRO CB C 13 32.893 0.4 . 1 . . . . 57 P CB . 17111 1 672 . 1 1 78 78 PRO CD C 13 51.883 0.4 . 1 . . . . 57 P CD . 17111 1 673 . 1 1 78 78 PRO CG C 13 27.616 0.4 . 1 . . . . 57 P CG . 17111 1 674 . 1 1 79 79 ALA H H 1 8.676 0.05 . 1 . . . . 58 A HN . 17111 1 675 . 1 1 79 79 ALA HA H 1 4.085 0.05 . 1 . . . . 58 A HA . 17111 1 676 . 1 1 79 79 ALA HB1 H 1 1.472 0.05 . 1 . . . . 58 A HB1 . 17111 1 677 . 1 1 79 79 ALA HB2 H 1 1.472 0.05 . 1 . . . . 58 A HB2 . 17111 1 678 . 1 1 79 79 ALA HB3 H 1 1.472 0.05 . 1 . . . . 58 A HB3 . 17111 1 679 . 1 1 79 79 ALA CA C 13 54.520 0.4 . 1 . . . . 58 A CA . 17111 1 680 . 1 1 79 79 ALA CB C 13 18.094 0.4 . 1 . . . . 58 A CB . 17111 1 681 . 1 1 79 79 ALA N N 15 122.939 0.4 . 1 . . . . 58 A N . 17111 1 682 . 1 1 80 80 ASP H H 1 8.003 0.05 . 1 . . . . 59 D HN . 17111 1 683 . 1 1 80 80 ASP HA H 1 4.617 0.05 . 1 . . . . 59 D HA . 17111 1 684 . 1 1 80 80 ASP HB2 H 1 2.714 0.05 . 1 . . . . 59 D HB1 . 17111 1 685 . 1 1 80 80 ASP HB3 H 1 3.088 0.05 . 1 . . . . 59 D HB2 . 17111 1 686 . 1 1 80 80 ASP C C 13 177.552 0.4 . 1 . . . . 59 D C . 17111 1 687 . 1 1 80 80 ASP CA C 13 53.338 0.4 . 1 . . . . 59 D CA . 17111 1 688 . 1 1 80 80 ASP CB C 13 39.440 0.4 . 1 . . . . 59 D CB . 17111 1 689 . 1 1 80 80 ASP N N 15 112.257 0.4 . 1 . . . . 59 D N . 17111 1 690 . 1 1 81 81 GLY H H 1 8.409 0.05 . 1 . . . . 60 G HN . 17111 1 691 . 1 1 81 81 GLY HA2 H 1 4.026 0.05 . 1 . . . . 60 G HA1 . 17111 1 692 . 1 1 81 81 GLY HA3 H 1 3.814 0.05 . 1 . . . . 60 G HA2 . 17111 1 693 . 1 1 81 81 GLY C C 13 178.808 0.4 . 1 . . . . 60 G C . 17111 1 694 . 1 1 81 81 GLY CA C 13 48.033 0.4 . 1 . . . . 60 G CA . 17111 1 695 . 1 1 81 81 GLY N N 15 108.180 0.4 . 1 . . . . 60 G N . 17111 1 696 . 1 1 82 82 ILE H H 1 6.587 0.05 . 1 . . . . 61 I HN . 17111 1 697 . 1 1 82 82 ILE HA H 1 4.000 0.05 . 1 . . . . 61 I HA . 17111 1 698 . 1 1 82 82 ILE HB H 1 1.268 0.05 . 1 . . . . 61 I HB . 17111 1 699 . 1 1 82 82 ILE HD11 H 1 0.201 0.05 . 1 . . . . 61 I HD11 . 17111 1 700 . 1 1 82 82 ILE HD12 H 1 0.201 0.05 . 1 . . . . 61 I HD12 . 17111 1 701 . 1 1 82 82 ILE HD13 H 1 0.201 0.05 . 1 . . . . 61 I HD13 . 17111 1 702 . 1 1 82 82 ILE HG12 H 1 0.447 0.05 . 1 . . . . 61 I HG11 . 17111 1 703 . 1 1 82 82 ILE HG13 H 1 0.555 0.05 . 1 . . . . 61 I HG12 . 17111 1 704 . 1 1 82 82 ILE HG21 H 1 -0.068 0.05 . 1 . . . . 61 I HG21 . 17111 1 705 . 1 1 82 82 ILE HG22 H 1 -0.068 0.05 . 1 . . . . 61 I HG22 . 17111 1 706 . 1 1 82 82 ILE HG23 H 1 -0.068 0.05 . 1 . . . . 61 I HG23 . 17111 1 707 . 1 1 82 82 ILE C C 13 174.279 0.4 . 1 . . . . 61 I C . 17111 1 708 . 1 1 82 82 ILE CA C 13 62.336 0.4 . 1 . . . . 61 I CA . 17111 1 709 . 1 1 82 82 ILE CB C 13 37.613 0.4 . 1 . . . . 61 I CB . 17111 1 710 . 1 1 82 82 ILE CD1 C 13 14.462 0.4 . 1 . . . . 61 I CD1 . 17111 1 711 . 1 1 82 82 ILE CG1 C 13 25.620 0.4 . 1 . . . . 61 I CG1 . 17111 1 712 . 1 1 82 82 ILE CG2 C 13 17.310 0.4 . 1 . . . . 61 I CG2 . 17111 1 713 . 1 1 82 82 ILE N N 15 109.306 0.4 . 1 . . . . 61 I N . 17111 1 714 . 1 1 83 83 TYR H H 1 7.634 0.05 . 1 . . . . 62 Y HN . 17111 1 715 . 1 1 83 83 TYR HA H 1 4.455 0.05 . 1 . . . . 62 Y HA . 17111 1 716 . 1 1 83 83 TYR HB2 H 1 3.164 0.05 . 1 . . . . 62 Y HB1 . 17111 1 717 . 1 1 83 83 TYR HB3 H 1 2.996 0.05 . 1 . . . . 62 Y HB2 . 17111 1 718 . 1 1 83 83 TYR HD1 H 1 7.109 0.05 . 1 . . . . 62 Y HD# . 17111 1 719 . 1 1 83 83 TYR HD2 H 1 7.109 0.05 . 1 . . . . 62 Y HD# . 17111 1 720 . 1 1 83 83 TYR C C 13 175.553 0.4 . 1 . . . . 62 Y C . 17111 1 721 . 1 1 83 83 TYR CA C 13 58.982 0.4 . 1 . . . . 62 Y CA . 17111 1 722 . 1 1 83 83 TYR CB C 13 37.388 0.4 . 1 . . . . 62 Y CB . 17111 1 723 . 1 1 83 83 TYR N N 15 119.447 0.4 . 1 . . . . 62 Y N . 17111 1 724 . 1 1 84 84 THR H H 1 7.500 0.05 . 1 . . . . 63 T HN . 17111 1 725 . 1 1 84 84 THR HA H 1 3.621 0.05 . 1 . . . . 63 T HA . 17111 1 726 . 1 1 84 84 THR HB H 1 3.524 0.05 . 1 . . . . 63 T HB . 17111 1 727 . 1 1 84 84 THR HG21 H 1 0.456 0.05 . 1 . . . . 63 T HG21 . 17111 1 728 . 1 1 84 84 THR HG22 H 1 0.456 0.05 . 1 . . . . 63 T HG22 . 17111 1 729 . 1 1 84 84 THR HG23 H 1 0.456 0.05 . 1 . . . . 63 T HG23 . 17111 1 730 . 1 1 84 84 THR CA C 13 64.686 0.4 . 1 . . . . 63 T CA . 17111 1 731 . 1 1 84 84 THR CB C 13 68.768 0.4 . 1 . . . . 63 T CB . 17111 1 732 . 1 1 84 84 THR CG2 C 13 22.946 0.4 . 1 . . . . 63 T CG2 . 17111 1 733 . 1 1 84 84 THR N N 15 117.053 0.4 . 1 . . . . 63 T N . 17111 1 734 . 1 1 85 85 TYR H H 1 7.536 0.05 . 1 . . . . 64 Y HN . 17111 1 735 . 1 1 85 85 TYR HA H 1 4.791 0.05 . 1 . . . . 64 Y HA . 17111 1 736 . 1 1 85 85 TYR HB2 H 1 3.182 0.05 . 1 . . . . 64 Y HB1 . 17111 1 737 . 1 1 85 85 TYR HB3 H 1 2.621 0.05 . 1 . . . . 64 Y HB2 . 17111 1 738 . 1 1 85 85 TYR HD1 H 1 6.568 0.05 . 1 . . . . 64 Y HD# . 17111 1 739 . 1 1 85 85 TYR HD2 H 1 6.568 0.05 . 1 . . . . 64 Y HD# . 17111 1 740 . 1 1 85 85 TYR HE1 H 1 5.642 0.05 . 1 . . . . 64 Y HE# . 17111 1 741 . 1 1 85 85 TYR HE2 H 1 5.642 0.05 . 1 . . . . 64 Y HE# . 17111 1 742 . 1 1 85 85 TYR CA C 13 55.654 0.4 . 1 . . . . 64 Y CA . 17111 1 743 . 1 1 85 85 TYR CB C 13 38.589 0.4 . 1 . . . . 64 Y CB . 17111 1 744 . 1 1 85 85 TYR N N 15 118.326 0.4 . 1 . . . . 64 Y N . 17111 1 745 . 1 1 86 86 PRO HA H 1 5.196 0.05 . 1 . . . . 65 P HA . 17111 1 746 . 1 1 86 86 PRO HB2 H 1 2.214 0.05 . 1 . . . . 65 P HB1 . 17111 1 747 . 1 1 86 86 PRO HB3 H 1 2.391 0.05 . 1 . . . . 65 P HB2 . 17111 1 748 . 1 1 86 86 PRO HG2 H 1 1.866 0.05 . 1 . . . . 65 P HG1 . 17111 1 749 . 1 1 86 86 PRO HG3 H 1 2.081 0.05 . 1 . . . . 65 P HG2 . 17111 1 750 . 1 1 86 86 PRO CA C 13 64.721 0.4 . 1 . . . . 65 P CA . 17111 1 751 . 1 1 86 86 PRO CB C 13 33.085 0.4 . 1 . . . . 65 P CB . 17111 1 752 . 1 1 86 86 PRO CG C 13 26.949 0.4 . 1 . . . . 65 P CG . 17111 1 753 . 1 1 87 87 VAL H H 1 7.115 0.05 . 1 . . . . 66 V HN . 17111 1 754 . 1 1 87 87 VAL HA H 1 4.360 0.05 . 1 . . . . 66 V HA . 17111 1 755 . 1 1 87 87 VAL HB H 1 1.924 0.05 . 1 . . . . 66 V HB . 17111 1 756 . 1 1 87 87 VAL HG11 H 1 1.075 0.05 . 1 . . . . 66 V HG11 . 17111 1 757 . 1 1 87 87 VAL HG12 H 1 1.075 0.05 . 1 . . . . 66 V HG12 . 17111 1 758 . 1 1 87 87 VAL HG13 H 1 1.075 0.05 . 1 . . . . 66 V HG13 . 17111 1 759 . 1 1 87 87 VAL HG21 H 1 0.906 0.05 . 1 . . . . 66 V HG21 . 17111 1 760 . 1 1 87 87 VAL HG22 H 1 0.906 0.05 . 1 . . . . 66 V HG22 . 17111 1 761 . 1 1 87 87 VAL HG23 H 1 0.906 0.05 . 1 . . . . 66 V HG23 . 17111 1 762 . 1 1 87 87 VAL C C 13 176.579 0.4 . 1 . . . . 66 V C . 17111 1 763 . 1 1 87 87 VAL CA C 13 60.373 0.4 . 1 . . . . 66 V CA . 17111 1 764 . 1 1 87 87 VAL CB C 13 34.300 0.4 . 1 . . . . 66 V CB . 17111 1 765 . 1 1 87 87 VAL CG1 C 13 21.968 0.4 . 1 . . . . 66 V CG1 . 17111 1 766 . 1 1 87 87 VAL CG2 C 13 21.833 0.4 . 1 . . . . 66 V CG2 . 17111 1 767 . 1 1 87 87 VAL N N 15 120.066 0.4 . 1 . . . . 66 V N . 17111 1 768 . 1 1 88 88 PHE H H 1 8.698 0.05 . 1 . . . . 67 F HN . 17111 1 769 . 1 1 88 88 PHE HA H 1 3.936 0.05 . 1 . . . . 67 F HA . 17111 1 770 . 1 1 88 88 PHE HB2 H 1 2.437 0.05 . 1 . . . . 67 F HB1 . 17111 1 771 . 1 1 88 88 PHE HB3 H 1 3.291 0.05 . 1 . . . . 67 F HB2 . 17111 1 772 . 1 1 88 88 PHE HD1 H 1 7.100 0.05 . 1 . . . . 67 F HD# . 17111 1 773 . 1 1 88 88 PHE HD2 H 1 7.100 0.05 . 1 . . . . 67 F HD# . 17111 1 774 . 1 1 88 88 PHE HE1 H 1 6.921 0.05 . 1 . . . . 67 F HE# . 17111 1 775 . 1 1 88 88 PHE HE2 H 1 6.921 0.05 . 1 . . . . 67 F HE# . 17111 1 776 . 1 1 88 88 PHE C C 13 175.993 0.4 . 1 . . . . 67 F C . 17111 1 777 . 1 1 88 88 PHE CA C 13 64.266 0.4 . 1 . . . . 67 F CA . 17111 1 778 . 1 1 88 88 PHE CB C 13 39.096 0.4 . 1 . . . . 67 F CB . 17111 1 779 . 1 1 88 88 PHE N N 15 127.211 0.4 . 1 . . . . 67 F N . 17111 1 780 . 1 1 89 89 LYS H H 1 9.201 0.05 . 1 . . . . 68 K HN . 17111 1 781 . 1 1 89 89 LYS HA H 1 4.186 0.05 . 1 . . . . 68 K HA . 17111 1 782 . 1 1 89 89 LYS HB2 H 1 1.883 0.05 . 1 . . . . 68 K HB1 . 17111 1 783 . 1 1 89 89 LYS HB3 H 1 1.888 0.05 . 1 . . . . 68 K HB2 . 17111 1 784 . 1 1 89 89 LYS HD2 H 1 1.786 0.05 . 1 . . . . 68 K HD1 . 17111 1 785 . 1 1 89 89 LYS HD3 H 1 1.786 0.05 . 1 . . . . 68 K HD2 . 17111 1 786 . 1 1 89 89 LYS HE2 H 1 2.899 0.05 . 1 . . . . 68 K HE1 . 17111 1 787 . 1 1 89 89 LYS HE3 H 1 2.899 0.05 . 1 . . . . 68 K HE2 . 17111 1 788 . 1 1 89 89 LYS HG2 H 1 1.353 0.05 . 1 . . . . 68 K HG1 . 17111 1 789 . 1 1 89 89 LYS HG3 H 1 1.352 0.05 . 1 . . . . 68 K HG2 . 17111 1 790 . 1 1 89 89 LYS C C 13 177.975 0.4 . 1 . . . . 68 K C . 17111 1 791 . 1 1 89 89 LYS CA C 13 59.366 0.4 . 1 . . . . 68 K CA . 17111 1 792 . 1 1 89 89 LYS CB C 13 32.929 0.4 . 1 . . . . 68 K CB . 17111 1 793 . 1 1 89 89 LYS CD C 13 29.480 0.4 . 1 . . . . 68 K CD . 17111 1 794 . 1 1 89 89 LYS CG C 13 24.517 0.4 . 1 . . . . 68 K CG . 17111 1 795 . 1 1 89 89 LYS N N 15 118.814 0.4 . 1 . . . . 68 K N . 17111 1 796 . 1 1 90 90 ALA H H 1 6.923 0.05 . 1 . . . . 69 A HN . 17111 1 797 . 1 1 90 90 ALA HA H 1 4.269 0.05 . 1 . . . . 69 A HA . 17111 1 798 . 1 1 90 90 ALA HB1 H 1 1.707 0.05 . 1 . . . . 69 A HB1 . 17111 1 799 . 1 1 90 90 ALA HB2 H 1 1.707 0.05 . 1 . . . . 69 A HB2 . 17111 1 800 . 1 1 90 90 ALA HB3 H 1 1.707 0.05 . 1 . . . . 69 A HB3 . 17111 1 801 . 1 1 90 90 ALA C C 13 177.709 0.4 . 1 . . . . 69 A C . 17111 1 802 . 1 1 90 90 ALA CA C 13 54.480 0.4 . 1 . . . . 69 A CA . 17111 1 803 . 1 1 90 90 ALA CB C 13 18.361 0.4 . 1 . . . . 69 A CB . 17111 1 804 . 1 1 90 90 ALA N N 15 120.853 0.4 . 1 . . . . 69 A N . 17111 1 805 . 1 1 91 91 PHE H H 1 8.383 0.05 . 1 . . . . 70 F HN . 17111 1 806 . 1 1 91 91 PHE HA H 1 4.131 0.05 . 1 . . . . 70 F HA . 17111 1 807 . 1 1 91 91 PHE HB2 H 1 3.524 0.05 . 1 . . . . 70 F HB1 . 17111 1 808 . 1 1 91 91 PHE HB3 H 1 3.976 0.05 . 1 . . . . 70 F HB2 . 17111 1 809 . 1 1 91 91 PHE HD1 H 1 7.278 0.05 . 1 . . . . 70 F HD# . 17111 1 810 . 1 1 91 91 PHE HD2 H 1 7.278 0.05 . 1 . . . . 70 F HD# . 17111 1 811 . 1 1 91 91 PHE HE1 H 1 6.839 0.05 . 1 . . . . 70 F HE# . 17111 1 812 . 1 1 91 91 PHE HE2 H 1 6.839 0.05 . 1 . . . . 70 F HE# . 17111 1 813 . 1 1 91 91 PHE HZ H 1 6.586 0.05 . 1 . . . . 70 F HZ . 17111 1 814 . 1 1 91 91 PHE C C 13 180.365 0.4 . 1 . . . . 70 F C . 17111 1 815 . 1 1 91 91 PHE CA C 13 62.861 0.4 . 1 . . . . 70 F CA . 17111 1 816 . 1 1 91 91 PHE CB C 13 39.344 0.4 . 1 . . . . 70 F CB . 17111 1 817 . 1 1 91 91 PHE N N 15 120.857 0.4 . 1 . . . . 70 F N . 17111 1 818 . 1 1 92 92 THR H H 1 8.750 0.05 . 1 . . . . 71 T HN . 17111 1 819 . 1 1 92 92 THR HA H 1 3.547 0.05 . 1 . . . . 71 T HA . 17111 1 820 . 1 1 92 92 THR HB H 1 4.022 0.05 . 1 . . . . 71 T HB . 17111 1 821 . 1 1 92 92 THR HG21 H 1 0.980 0.05 . 1 . . . . 71 T HG21 . 17111 1 822 . 1 1 92 92 THR HG22 H 1 0.980 0.05 . 1 . . . . 71 T HG22 . 17111 1 823 . 1 1 92 92 THR HG23 H 1 0.980 0.05 . 1 . . . . 71 T HG23 . 17111 1 824 . 1 1 92 92 THR C C 13 176.937 0.4 . 1 . . . . 71 T C . 17111 1 825 . 1 1 92 92 THR CA C 13 66.788 0.4 . 1 . . . . 71 T CA . 17111 1 826 . 1 1 92 92 THR CB C 13 68.251 0.4 . 1 . . . . 71 T CB . 17111 1 827 . 1 1 92 92 THR CG2 C 13 21.792 0.4 . 1 . . . . 71 T CG2 . 17111 1 828 . 1 1 92 92 THR N N 15 114.042 0.4 . 1 . . . . 71 T N . 17111 1 829 . 1 1 93 93 GLN H H 1 8.199 0.05 . 1 . . . . 72 Q HN . 17111 1 830 . 1 1 93 93 GLN HA H 1 3.987 0.05 . 1 . . . . 72 Q HA . 17111 1 831 . 1 1 93 93 GLN HB2 H 1 2.352 0.05 . 1 . . . . 72 Q HB1 . 17111 1 832 . 1 1 93 93 GLN HB3 H 1 2.352 0.05 . 1 . . . . 72 Q HB2 . 17111 1 833 . 1 1 93 93 GLN HG2 H 1 2.510 0.05 . 1 . . . . 72 Q HG1 . 17111 1 834 . 1 1 93 93 GLN HG3 H 1 2.510 0.05 . 1 . . . . 72 Q HG2 . 17111 1 835 . 1 1 93 93 GLN C C 13 177.202 0.4 . 1 . . . . 72 Q C . 17111 1 836 . 1 1 93 93 GLN CA C 13 58.756 0.4 . 1 . . . . 72 Q CA . 17111 1 837 . 1 1 93 93 GLN CB C 13 28.503 0.4 . 1 . . . . 72 Q CB . 17111 1 838 . 1 1 93 93 GLN N N 15 121.932 0.4 . 1 . . . . 72 Q N . 17111 1 839 . 1 1 94 94 TRP H H 1 7.650 0.05 . 1 . . . . 73 W HN . 17111 1 840 . 1 1 94 94 TRP HA H 1 4.189 0.05 . 1 . . . . 73 W HA . 17111 1 841 . 1 1 94 94 TRP HB2 H 1 2.797 0.05 . 1 . . . . 73 W HB1 . 17111 1 842 . 1 1 94 94 TRP HB3 H 1 2.797 0.05 . 1 . . . . 73 W HB2 . 17111 1 843 . 1 1 94 94 TRP HD1 H 1 7.023 0.05 . 1 . . . . 73 W HD1 . 17111 1 844 . 1 1 94 94 TRP HE1 H 1 9.989 0.05 . 1 . . . . 73 W HE1 . 17111 1 845 . 1 1 94 94 TRP HE3 H 1 7.560 0.05 . 1 . . . . 73 W HE3 . 17111 1 846 . 1 1 94 94 TRP HZ2 H 1 7.357 0.05 . 1 . . . . 73 W HZ2 . 17111 1 847 . 1 1 94 94 TRP HZ3 H 1 6.836 0.05 . 1 . . . . 73 W HZ3 . 17111 1 848 . 1 1 94 94 TRP C C 13 178.284 0.4 . 1 . . . . 73 W C . 17111 1 849 . 1 1 94 94 TRP CA C 13 60.553 0.4 . 1 . . . . 73 W CA . 17111 1 850 . 1 1 94 94 TRP CB C 13 26.681 0.4 . 1 . . . . 73 W CB . 17111 1 851 . 1 1 94 94 TRP N N 15 122.034 0.4 . 1 . . . . 73 W N . 17111 1 852 . 1 1 94 94 TRP NE1 N 15 129.725 0.4 . 1 . . . . 73 W NE1 . 17111 1 853 . 1 1 95 95 VAL H H 1 8.377 0.05 . 1 . . . . 74 V HN . 17111 1 854 . 1 1 95 95 VAL HA H 1 2.448 0.05 . 1 . . . . 74 V HA . 17111 1 855 . 1 1 95 95 VAL HB H 1 1.631 0.05 . 1 . . . . 74 V HB . 17111 1 856 . 1 1 95 95 VAL HG11 H 1 0.178 0.05 . 1 . . . . 74 V HG11 . 17111 1 857 . 1 1 95 95 VAL HG12 H 1 0.178 0.05 . 1 . . . . 74 V HG12 . 17111 1 858 . 1 1 95 95 VAL HG13 H 1 0.178 0.05 . 1 . . . . 74 V HG13 . 17111 1 859 . 1 1 95 95 VAL HG21 H 1 0.327 0.05 . 1 . . . . 74 V HG21 . 17111 1 860 . 1 1 95 95 VAL HG22 H 1 0.327 0.05 . 1 . . . . 74 V HG22 . 17111 1 861 . 1 1 95 95 VAL HG23 H 1 0.327 0.05 . 1 . . . . 74 V HG23 . 17111 1 862 . 1 1 95 95 VAL C C 13 180.043 0.4 . 1 . . . . 74 V C . 17111 1 863 . 1 1 95 95 VAL CA C 13 67.752 0.4 . 1 . . . . 74 V CA . 17111 1 864 . 1 1 95 95 VAL CB C 13 30.739 0.4 . 1 . . . . 74 V CB . 17111 1 865 . 1 1 95 95 VAL CG1 C 13 23.276 0.4 . 1 . . . . 74 V CG1 . 17111 1 866 . 1 1 95 95 VAL CG2 C 13 20.943 0.4 . 1 . . . . 74 V CG2 . 17111 1 867 . 1 1 95 95 VAL N N 15 122.507 0.4 . 1 . . . . 74 V N . 17111 1 868 . 1 1 96 96 GLY H H 1 8.077 0.05 . 1 . . . . 75 G HN . 17111 1 869 . 1 1 96 96 GLY HA2 H 1 3.539 0.05 . 1 . . . . 75 G HA1 . 17111 1 870 . 1 1 96 96 GLY HA3 H 1 3.818 0.05 . 1 . . . . 75 G HA2 . 17111 1 871 . 1 1 96 96 GLY C C 13 177.949 0.4 . 1 . . . . 75 G C . 17111 1 872 . 1 1 96 96 GLY CA C 13 47.483 0.4 . 1 . . . . 75 G CA . 17111 1 873 . 1 1 96 96 GLY N N 15 104.982 0.4 . 1 . . . . 75 G N . 17111 1 874 . 1 1 97 97 THR H H 1 7.623 0.05 . 1 . . . . 76 T HN . 17111 1 875 . 1 1 97 97 THR HA H 1 4.116 0.05 . 1 . . . . 76 T HA . 17111 1 876 . 1 1 97 97 THR HB H 1 4.252 0.05 . 1 . . . . 76 T HB . 17111 1 877 . 1 1 97 97 THR HG21 H 1 1.352 0.05 . 1 . . . . 76 T HG21 . 17111 1 878 . 1 1 97 97 THR HG22 H 1 1.352 0.05 . 1 . . . . 76 T HG22 . 17111 1 879 . 1 1 97 97 THR HG23 H 1 1.352 0.05 . 1 . . . . 76 T HG23 . 17111 1 880 . 1 1 97 97 THR C C 13 177.023 0.4 . 1 . . . . 76 T C . 17111 1 881 . 1 1 97 97 THR CA C 13 64.492 0.4 . 1 . . . . 76 T CA . 17111 1 882 . 1 1 97 97 THR CB C 13 69.938 0.4 . 1 . . . . 76 T CB . 17111 1 883 . 1 1 97 97 THR CG2 C 13 21.771 0.4 . 1 . . . . 76 T CG2 . 17111 1 884 . 1 1 97 97 THR N N 15 112.454 0.4 . 1 . . . . 76 T N . 17111 1 885 . 1 1 98 98 GLN H H 1 7.467 0.05 . 1 . . . . 77 Q HN . 17111 1 886 . 1 1 98 98 GLN HA H 1 3.980 0.05 . 1 . . . . 77 Q HA . 17111 1 887 . 1 1 98 98 GLN HB2 H 1 1.991 0.05 . 1 . . . . 77 Q HB1 . 17111 1 888 . 1 1 98 98 GLN HB3 H 1 2.348 0.05 . 1 . . . . 77 Q HB2 . 17111 1 889 . 1 1 98 98 GLN HG2 H 1 1.684 0.05 . 1 . . . . 77 Q HG1 . 17111 1 890 . 1 1 98 98 GLN HG3 H 1 1.573 0.05 . 1 . . . . 77 Q HG2 . 17111 1 891 . 1 1 98 98 GLN C C 13 175.909 0.4 . 1 . . . . 77 Q C . 17111 1 892 . 1 1 98 98 GLN CA C 13 55.983 0.4 . 1 . . . . 77 Q CA . 17111 1 893 . 1 1 98 98 GLN CB C 13 29.373 0.4 . 1 . . . . 77 Q CB . 17111 1 894 . 1 1 98 98 GLN CG C 13 33.940 0.4 . 1 . . . . 77 Q CG . 17111 1 895 . 1 1 98 98 GLN N N 15 119.633 0.4 . 1 . . . . 77 Q N . 17111 1 896 . 1 1 99 99 LEU H H 1 6.996 0.05 . 1 . . . . 78 L HN . 17111 1 897 . 1 1 99 99 LEU HA H 1 4.078 0.05 . 1 . . . . 78 L HA . 17111 1 898 . 1 1 99 99 LEU HB2 H 1 1.350 0.05 . 1 . . . . 78 L HB1 . 17111 1 899 . 1 1 99 99 LEU HB3 H 1 1.543 0.05 . 1 . . . . 78 L HB2 . 17111 1 900 . 1 1 99 99 LEU HD11 H 1 0.373 0.05 . 1 . . . . 78 L HD11 . 17111 1 901 . 1 1 99 99 LEU HD12 H 1 0.373 0.05 . 1 . . . . 78 L HD12 . 17111 1 902 . 1 1 99 99 LEU HD13 H 1 0.373 0.05 . 1 . . . . 78 L HD13 . 17111 1 903 . 1 1 99 99 LEU HD21 H 1 0.244 0.05 . 1 . . . . 78 L HD21 . 17111 1 904 . 1 1 99 99 LEU HD22 H 1 0.244 0.05 . 1 . . . . 78 L HD22 . 17111 1 905 . 1 1 99 99 LEU HD23 H 1 0.244 0.05 . 1 . . . . 78 L HD23 . 17111 1 906 . 1 1 99 99 LEU HG H 1 1.472 0.05 . 1 . . . . 78 L HG . 17111 1 907 . 1 1 99 99 LEU C C 13 175.804 0.4 . 1 . . . . 78 L C . 17111 1 908 . 1 1 99 99 LEU CA C 13 55.192 0.4 . 1 . . . . 78 L CA . 17111 1 909 . 1 1 99 99 LEU CB C 13 41.967 0.4 . 1 . . . . 78 L CB . 17111 1 910 . 1 1 99 99 LEU CD1 C 13 25.380 0.4 . 1 . . . . 78 L CD1 . 17111 1 911 . 1 1 99 99 LEU CD2 C 13 22.933 0.4 . 1 . . . . 78 L CD2 . 17111 1 912 . 1 1 99 99 LEU CG C 13 25.920 0.4 . 1 . . . . 78 L CG . 17111 1 913 . 1 1 99 99 LEU N N 15 118.023 0.4 . 1 . . . . 78 L N . 17111 1 914 . 1 1 100 100 GLN H H 1 7.811 0.05 . 1 . . . . 79 Q HN . 17111 1 915 . 1 1 100 100 GLN HA H 1 4.531 0.05 . 1 . . . . 79 Q HA . 17111 1 916 . 1 1 100 100 GLN HB2 H 1 1.888 0.05 . 1 . . . . 79 Q HB1 . 17111 1 917 . 1 1 100 100 GLN HB3 H 1 2.089 0.05 . 1 . . . . 79 Q HB2 . 17111 1 918 . 1 1 100 100 GLN HG2 H 1 2.351 0.05 . 1 . . . . 79 Q HG1 . 17111 1 919 . 1 1 100 100 GLN HG3 H 1 2.351 0.05 . 1 . . . . 79 Q HG2 . 17111 1 920 . 1 1 100 100 GLN C C 13 176.975 0.4 . 1 . . . . 79 Q C . 17111 1 921 . 1 1 100 100 GLN CA C 13 54.077 0.4 . 1 . . . . 79 Q CA . 17111 1 922 . 1 1 100 100 GLN CB C 13 29.167 0.4 . 1 . . . . 79 Q CB . 17111 1 923 . 1 1 100 100 GLN N N 15 119.673 0.4 . 1 . . . . 79 Q N . 17111 1 924 . 1 1 101 101 PRO HA H 1 4.419 0.05 . 1 . . . . 80 P HA . 17111 1 925 . 1 1 101 101 PRO HB2 H 1 2.261 0.05 . 1 . . . . 80 P HB1 . 17111 1 926 . 1 1 101 101 PRO HB3 H 1 1.875 0.05 . 1 . . . . 80 P HB2 . 17111 1 927 . 1 1 101 101 PRO HD2 H 1 3.651 0.05 . 1 . . . . 80 P HD1 . 17111 1 928 . 1 1 101 101 PRO HD3 H 1 3.645 0.05 . 1 . . . . 80 P HD2 . 17111 1 929 . 1 1 101 101 PRO HG2 H 1 1.899 0.05 . 1 . . . . 80 P HG1 . 17111 1 930 . 1 1 101 101 PRO HG3 H 1 1.953 0.05 . 1 . . . . 80 P HG2 . 17111 1 931 . 1 1 101 101 PRO CA C 13 63.077 0.4 . 1 . . . . 80 P CA . 17111 1 932 . 1 1 101 101 PRO CB C 13 32.114 0.4 . 1 . . . . 80 P CB . 17111 1 933 . 1 1 101 101 PRO CD C 13 50.621 0.4 . 1 . . . . 80 P CD . 17111 1 934 . 1 1 101 101 PRO CG C 13 27.368 0.4 . 1 . . . . 80 P CG . 17111 1 935 . 1 1 102 102 THR H H 1 8.225 0.05 . 1 . . . . 81 T HN . 17111 1 936 . 1 1 102 102 THR HA H 1 4.260 0.05 . 1 . . . . 81 T HA . 17111 1 937 . 1 1 102 102 THR HB H 1 3.379 0.05 . 1 . . . . 81 T HB . 17111 1 938 . 1 1 102 102 THR HG21 H 1 1.170 0.05 . 1 . . . . 81 T HG21 . 17111 1 939 . 1 1 102 102 THR HG22 H 1 1.170 0.05 . 1 . . . . 81 T HG22 . 17111 1 940 . 1 1 102 102 THR HG23 H 1 1.170 0.05 . 1 . . . . 81 T HG23 . 17111 1 941 . 1 1 102 102 THR C C 13 177.318 0.4 . 1 . . . . 81 T C . 17111 1 942 . 1 1 102 102 THR CA C 13 62.017 0.4 . 1 . . . . 81 T CA . 17111 1 943 . 1 1 102 102 THR CB C 13 69.865 0.4 . 1 . . . . 81 T CB . 17111 1 944 . 1 1 102 102 THR CG2 C 13 21.231 0.4 . 1 . . . . 81 T CG2 . 17111 1 945 . 1 1 102 102 THR N N 15 114.350 0.4 . 1 . . . . 81 T N . 17111 1 946 . 1 1 103 103 GLN H H 1 8.374 0.05 . 1 . . . . 82 Q HN . 17111 1 947 . 1 1 103 103 GLN HA H 1 4.288 0.05 . 1 . . . . 82 Q HA . 17111 1 948 . 1 1 103 103 GLN HB2 H 1 1.976 0.05 . 1 . . . . 82 Q HB1 . 17111 1 949 . 1 1 103 103 GLN HB3 H 1 2.093 0.05 . 1 . . . . 82 Q HB2 . 17111 1 950 . 1 1 103 103 GLN HE22 H 1 7.795 0.05 . 1 . . . . 82 Q HE22 . 17111 1 951 . 1 1 103 103 GLN HG2 H 1 2.357 0.05 . 1 . . . . 82 Q HG1 . 17111 1 952 . 1 1 103 103 GLN HG3 H 1 2.346 0.05 . 1 . . . . 82 Q HG2 . 17111 1 953 . 1 1 103 103 GLN C C 13 176.016 0.4 . 1 . . . . 82 Q C . 17111 1 954 . 1 1 103 103 GLN CA C 13 55.669 0.4 . 1 . . . . 82 Q CA . 17111 1 955 . 1 1 103 103 GLN CB C 13 29.328 0.4 . 1 . . . . 82 Q CB . 17111 1 956 . 1 1 103 103 GLN CG C 13 33.774 0.4 . 1 . . . . 82 Q CG . 17111 1 957 . 1 1 103 103 GLN N N 15 122.669 0.4 . 1 . . . . 82 Q N . 17111 1 958 . 1 1 103 103 GLN NE2 N 15 112.412 0.4 . 1 . . . . 82 Q NE2 . 17111 1 959 . 1 1 104 104 ALA H H 1 8.385 0.05 . 1 . . . . 83 A HN . 17111 1 960 . 1 1 104 104 ALA HA H 1 4.326 0.05 . 1 . . . . 83 A HA . 17111 1 961 . 1 1 104 104 ALA HB1 H 1 1.351 0.05 . 1 . . . . 83 A HB1 . 17111 1 962 . 1 1 104 104 ALA HB2 H 1 1.351 0.05 . 1 . . . . 83 A HB2 . 17111 1 963 . 1 1 104 104 ALA HB3 H 1 1.351 0.05 . 1 . . . . 83 A HB3 . 17111 1 964 . 1 1 104 104 ALA C C 13 175.656 0.4 . 1 . . . . 83 A C . 17111 1 965 . 1 1 104 104 ALA CA C 13 52.691 0.4 . 1 . . . . 83 A CA . 17111 1 966 . 1 1 104 104 ALA CB C 13 19.347 0.4 . 1 . . . . 83 A CB . 17111 1 967 . 1 1 104 104 ALA N N 15 125.614 0.4 . 1 . . . . 83 A N . 17111 1 968 . 1 1 105 105 THR H H 1 8.110 0.05 . 1 . . . . 84 T HN . 17111 1 969 . 1 1 105 105 THR HA H 1 4.267 0.05 . 1 . . . . 84 T HA . 17111 1 970 . 1 1 105 105 THR HB H 1 4.173 0.05 . 1 . . . . 84 T HB . 17111 1 971 . 1 1 105 105 THR HG21 H 1 1.154 0.05 . 1 . . . . 84 T HG21 . 17111 1 972 . 1 1 105 105 THR HG22 H 1 1.154 0.05 . 1 . . . . 84 T HG22 . 17111 1 973 . 1 1 105 105 THR HG23 H 1 1.154 0.05 . 1 . . . . 84 T HG23 . 17111 1 974 . 1 1 105 105 THR C C 13 177.781 0.4 . 1 . . . . 84 T C . 17111 1 975 . 1 1 105 105 THR CA C 13 61.615 0.4 . 1 . . . . 84 T CA . 17111 1 976 . 1 1 105 105 THR CB C 13 69.496 0.4 . 1 . . . . 84 T CB . 17111 1 977 . 1 1 105 105 THR CG2 C 13 21.762 0.4 . 1 . . . . 84 T CG2 . 17111 1 978 . 1 1 105 105 THR N N 15 113.678 0.4 . 1 . . . . 84 T N . 17111 1 979 . 1 1 106 106 ALA H H 1 8.273 0.05 . 1 . . . . 85 A HN . 17111 1 980 . 1 1 106 106 ALA HA H 1 4.271 0.05 . 1 . . . . 85 A HA . 17111 1 981 . 1 1 106 106 ALA HB1 H 1 1.348 0.05 . 1 . . . . 85 A HB1 . 17111 1 982 . 1 1 106 106 ALA HB2 H 1 1.348 0.05 . 1 . . . . 85 A HB2 . 17111 1 983 . 1 1 106 106 ALA HB3 H 1 1.348 0.05 . 1 . . . . 85 A HB3 . 17111 1 984 . 1 1 106 106 ALA C C 13 174.110 0.4 . 1 . . . . 85 A C . 17111 1 985 . 1 1 106 106 ALA CA C 13 52.107 0.4 . 1 . . . . 85 A CA . 17111 1 986 . 1 1 106 106 ALA CB C 13 19.338 0.4 . 1 . . . . 85 A CB . 17111 1 987 . 1 1 106 106 ALA N N 15 126.876 0.4 . 1 . . . . 85 A N . 17111 1 988 . 1 1 107 107 ALA H H 1 8.282 0.05 . 1 . . . . 86 A HN . 17111 1 989 . 1 1 107 107 ALA HA H 1 4.553 0.05 . 1 . . . . 86 A HA . 17111 1 990 . 1 1 107 107 ALA HB1 H 1 1.340 0.05 . 1 . . . . 86 A HB1 . 17111 1 991 . 1 1 107 107 ALA HB2 H 1 1.340 0.05 . 1 . . . . 86 A HB2 . 17111 1 992 . 1 1 107 107 ALA HB3 H 1 1.340 0.05 . 1 . . . . 86 A HB3 . 17111 1 993 . 1 1 107 107 ALA C C 13 176.861 0.4 . 1 . . . . 86 A C . 17111 1 994 . 1 1 107 107 ALA CA C 13 50.355 0.4 . 1 . . . . 86 A CA . 17111 1 995 . 1 1 107 107 ALA CB C 13 18.041 0.4 . 1 . . . . 86 A CB . 17111 1 996 . 1 1 107 107 ALA N N 15 125.269 0.4 . 1 . . . . 86 A N . 17111 1 997 . 1 1 108 108 PRO HA H 1 4.458 0.05 . 1 . . . . 87 P HA . 17111 1 998 . 1 1 108 108 PRO HB2 H 1 2.261 0.05 . 1 . . . . 87 P HB1 . 17111 1 999 . 1 1 108 108 PRO HB3 H 1 2.261 0.05 . 1 . . . . 87 P HB2 . 17111 1 1000 . 1 1 108 108 PRO HD2 H 1 3.639 0.05 . 1 . . . . 87 P HD1 . 17111 1 1001 . 1 1 108 108 PRO HD3 H 1 3.809 0.05 . 1 . . . . 87 P HD2 . 17111 1 1002 . 1 1 108 108 PRO HG2 H 1 1.982 0.05 . 1 . . . . 87 P HG1 . 17111 1 1003 . 1 1 108 108 PRO HG3 H 1 1.982 0.05 . 1 . . . . 87 P HG2 . 17111 1 1004 . 1 1 108 108 PRO CA C 13 63.150 0.4 . 1 . . . . 87 P CA . 17111 1 1005 . 1 1 108 108 PRO CB C 13 31.953 0.4 . 1 . . . . 87 P CB . 17111 1 1006 . 1 1 108 108 PRO CD C 13 50.465 0.4 . 1 . . . . 87 P CD . 17111 1 1007 . 1 1 108 108 PRO CG C 13 27.228 0.4 . 1 . . . . 87 P CG . 17111 1 1008 . 1 1 109 109 VAL H H 1 8.251 0.05 . 1 . . . . 88 V HN . 17111 1 1009 . 1 1 109 109 VAL HA H 1 3.992 0.05 . 1 . . . . 88 V HA . 17111 1 1010 . 1 1 109 109 VAL HB H 1 2.024 0.05 . 1 . . . . 88 V HB . 17111 1 1011 . 1 1 109 109 VAL HG11 H 1 0.885 0.05 . 1 . . . . 88 V HG11 . 17111 1 1012 . 1 1 109 109 VAL HG12 H 1 0.885 0.05 . 1 . . . . 88 V HG12 . 17111 1 1013 . 1 1 109 109 VAL HG13 H 1 0.885 0.05 . 1 . . . . 88 V HG13 . 17111 1 1014 . 1 1 109 109 VAL HG21 H 1 0.885 0.05 . 1 . . . . 88 V HG21 . 17111 1 1015 . 1 1 109 109 VAL HG22 H 1 0.885 0.05 . 1 . . . . 88 V HG22 . 17111 1 1016 . 1 1 109 109 VAL HG23 H 1 0.885 0.05 . 1 . . . . 88 V HG23 . 17111 1 1017 . 1 1 109 109 VAL CA C 13 62.269 0.4 . 1 . . . . 88 V CA . 17111 1 1018 . 1 1 109 109 VAL CB C 13 32.961 0.4 . 1 . . . . 88 V CB . 17111 1 1019 . 1 1 109 109 VAL CG1 C 13 20.993 0.4 . 1 . . . . 88 V CG1 . 17111 1 1020 . 1 1 109 109 VAL CG2 C 13 20.993 0.4 . 1 . . . . 88 V CG2 . 17111 1 1021 . 1 1 109 109 VAL N N 15 120.974 0.4 . 1 . . . . 88 V N . 17111 1 1022 . 1 1 110 110 GLN H H 1 8.499 0.05 . 1 . . . . 89 Q HN . 17111 1 1023 . 1 1 110 110 GLN HA H 1 4.344 0.05 . 1 . . . . 89 Q HA . 17111 1 1024 . 1 1 110 110 GLN HB2 H 1 1.986 0.05 . 1 . . . . 89 Q HB1 . 17111 1 1025 . 1 1 110 110 GLN HB3 H 1 1.986 0.05 . 1 . . . . 89 Q HB2 . 17111 1 1026 . 1 1 110 110 GLN HG2 H 1 2.308 0.05 . 1 . . . . 89 Q HG1 . 17111 1 1027 . 1 1 110 110 GLN HG3 H 1 2.308 0.05 . 1 . . . . 89 Q HG2 . 17111 1 1028 . 1 1 110 110 GLN C C 13 176.022 0.4 . 1 . . . . 89 Q C . 17111 1 1029 . 1 1 110 110 GLN CA C 13 55.650 0.4 . 1 . . . . 89 Q CA . 17111 1 1030 . 1 1 110 110 GLN CB C 13 29.461 0.4 . 1 . . . . 89 Q CB . 17111 1 1031 . 1 1 110 110 GLN CG C 13 33.607 0.4 . 1 . . . . 89 Q CG . 17111 1 1032 . 1 1 110 110 GLN N N 15 124.964 0.4 . 1 . . . . 89 Q N . 17111 1 1033 . 1 1 111 111 ARG H H 1 8.468 0.05 . 1 . . . . 90 R HN . 17111 1 1034 . 1 1 111 111 ARG HA H 1 4.305 0.05 . 1 . . . . 90 R HA . 17111 1 1035 . 1 1 111 111 ARG HB2 H 1 1.718 0.05 . 1 . . . . 90 R HB1 . 17111 1 1036 . 1 1 111 111 ARG HB3 H 1 1.814 0.05 . 1 . . . . 90 R HB2 . 17111 1 1037 . 1 1 111 111 ARG HD2 H 1 3.173 0.05 . 1 . . . . 90 R HD1 . 17111 1 1038 . 1 1 111 111 ARG HD3 H 1 3.173 0.05 . 1 . . . . 90 R HD2 . 17111 1 1039 . 1 1 111 111 ARG HG2 H 1 1.612 0.05 . 1 . . . . 90 R HG1 . 17111 1 1040 . 1 1 111 111 ARG HG3 H 1 1.612 0.05 . 1 . . . . 90 R HG2 . 17111 1 1041 . 1 1 111 111 ARG C C 13 175.573 0.4 . 1 . . . . 90 R C . 17111 1 1042 . 1 1 111 111 ARG CA C 13 55.801 0.4 . 1 . . . . 90 R CA . 17111 1 1043 . 1 1 111 111 ARG CB C 13 31.050 0.4 . 1 . . . . 90 R CB . 17111 1 1044 . 1 1 111 111 ARG CD C 13 43.570 0.4 . 1 . . . . 90 R CD . 17111 1 1045 . 1 1 111 111 ARG CG C 13 27.013 0.4 . 1 . . . . 90 R CG . 17111 1 1046 . 1 1 111 111 ARG N N 15 123.634 0.4 . 1 . . . . 90 R N . 17111 1 1047 . 1 1 112 112 GLU H H 1 8.500 0.05 . 1 . . . . 91 E HN . 17111 1 1048 . 1 1 112 112 GLU HA H 1 4.542 0.05 . 1 . . . . 91 E HA . 17111 1 1049 . 1 1 112 112 GLU HB2 H 1 1.867 0.05 . 1 . . . . 91 E HB1 . 17111 1 1050 . 1 1 112 112 GLU HB3 H 1 2.025 0.05 . 1 . . . . 91 E HB2 . 17111 1 1051 . 1 1 112 112 GLU HG2 H 1 2.260 0.05 . 1 . . . . 91 E HG1 . 17111 1 1052 . 1 1 112 112 GLU HG3 H 1 2.260 0.05 . 1 . . . . 91 E HG2 . 17111 1 1053 . 1 1 112 112 GLU C C 13 176.007 0.4 . 1 . . . . 91 E C . 17111 1 1054 . 1 1 112 112 GLU CA C 13 54.445 0.4 . 1 . . . . 91 E CA . 17111 1 1055 . 1 1 112 112 GLU N N 15 123.698 0.4 . 1 . . . . 91 E N . 17111 1 1056 . 1 1 113 113 PRO HA H 1 4.390 0.05 . 1 . . . . 92 P HA . 17111 1 1057 . 1 1 113 113 PRO HB2 H 1 2.265 0.05 . 1 . . . . 92 P HB1 . 17111 1 1058 . 1 1 113 113 PRO HB3 H 1 2.265 0.05 . 1 . . . . 92 P HB2 . 17111 1 1059 . 1 1 113 113 PRO HD2 H 1 3.734 0.05 . 1 . . . . 92 P HD1 . 17111 1 1060 . 1 1 113 113 PRO HD3 H 1 3.734 0.05 . 1 . . . . 92 P HD2 . 17111 1 1061 . 1 1 113 113 PRO HG2 H 1 1.983 0.05 . 1 . . . . 92 P HG1 . 17111 1 1062 . 1 1 113 113 PRO HG3 H 1 1.983 0.05 . 1 . . . . 92 P HG2 . 17111 1 1063 . 1 1 113 113 PRO CA C 13 62.965 0.4 . 1 . . . . 92 P CA . 17111 1 1064 . 1 1 113 113 PRO CB C 13 32.022 0.4 . 1 . . . . 92 P CB . 17111 1 1065 . 1 1 113 113 PRO CD C 13 50.600 0.4 . 1 . . . . 92 P CD . 17111 1 1066 . 1 1 113 113 PRO CG C 13 27.343 0.4 . 1 . . . . 92 P CG . 17111 1 1067 . 1 1 114 114 VAL H H 1 8.206 0.05 . 1 . . . . 93 V HN . 17111 1 1068 . 1 1 114 114 VAL HA H 1 4.045 0.05 . 1 . . . . 93 V HA . 17111 1 1069 . 1 1 114 114 VAL HB H 1 1.973 0.05 . 1 . . . . 93 V HB . 17111 1 1070 . 1 1 114 114 VAL HG11 H 1 0.906 0.05 . 1 . . . . 93 V HG11 . 17111 1 1071 . 1 1 114 114 VAL HG12 H 1 0.906 0.05 . 1 . . . . 93 V HG12 . 17111 1 1072 . 1 1 114 114 VAL HG13 H 1 0.906 0.05 . 1 . . . . 93 V HG13 . 17111 1 1073 . 1 1 114 114 VAL HG21 H 1 0.906 0.05 . 1 . . . . 93 V HG21 . 17111 1 1074 . 1 1 114 114 VAL HG22 H 1 0.906 0.05 . 1 . . . . 93 V HG22 . 17111 1 1075 . 1 1 114 114 VAL HG23 H 1 0.906 0.05 . 1 . . . . 93 V HG23 . 17111 1 1076 . 1 1 114 114 VAL CA C 13 62.084 0.4 . 1 . . . . 93 V CA . 17111 1 1077 . 1 1 114 114 VAL CB C 13 32.882 0.4 . 1 . . . . 93 V CB . 17111 1 1078 . 1 1 114 114 VAL CG1 C 13 20.658 0.4 . 1 . . . . 93 V CG1 . 17111 1 1079 . 1 1 114 114 VAL CG2 C 13 20.658 0.4 . 1 . . . . 93 V CG2 . 17111 1 1080 . 1 1 114 114 VAL N N 15 120.671 0.4 . 1 . . . . 93 V N . 17111 1 1081 . 1 1 115 115 ALA H H 1 8.471 0.05 . 1 . . . . 94 A HN . 17111 1 1082 . 1 1 115 115 ALA HA H 1 4.365 0.05 . 1 . . . . 94 A HA . 17111 1 1083 . 1 1 115 115 ALA HB1 H 1 1.342 0.05 . 1 . . . . 94 A HB1 . 17111 1 1084 . 1 1 115 115 ALA HB2 H 1 1.342 0.05 . 1 . . . . 94 A HB2 . 17111 1 1085 . 1 1 115 115 ALA HB3 H 1 1.342 0.05 . 1 . . . . 94 A HB3 . 17111 1 1086 . 1 1 115 115 ALA C C 13 175.974 0.4 . 1 . . . . 94 A C . 17111 1 1087 . 1 1 115 115 ALA CA C 13 52.410 0.4 . 1 . . . . 94 A CA . 17111 1 1088 . 1 1 115 115 ALA CB C 13 19.305 0.4 . 1 . . . . 94 A CB . 17111 1 1089 . 1 1 115 115 ALA N N 15 128.458 0.4 . 1 . . . . 94 A N . 17111 1 1090 . 1 1 116 116 THR H H 1 8.139 0.05 . 1 . . . . 95 T HN . 17111 1 1091 . 1 1 116 116 THR HA H 1 4.361 0.05 . 1 . . . . 95 T HA . 17111 1 1092 . 1 1 116 116 THR HB H 1 4.266 0.05 . 1 . . . . 95 T HB . 17111 1 1093 . 1 1 116 116 THR HG21 H 1 1.162 0.05 . 1 . . . . 95 T HG21 . 17111 1 1094 . 1 1 116 116 THR HG22 H 1 1.162 0.05 . 1 . . . . 95 T HG22 . 17111 1 1095 . 1 1 116 116 THR HG23 H 1 1.162 0.05 . 1 . . . . 95 T HG23 . 17111 1 1096 . 1 1 116 116 THR C C 13 177.735 0.4 . 1 . . . . 95 T C . 17111 1 1097 . 1 1 116 116 THR CA C 13 61.555 0.4 . 1 . . . . 95 T CA . 17111 1 1098 . 1 1 116 116 THR CB C 13 69.520 0.4 . 1 . . . . 95 T CB . 17111 1 1099 . 1 1 116 116 THR CG2 C 13 21.787 0.4 . 1 . . . . 95 T CG2 . 17111 1 1100 . 1 1 116 116 THR N N 15 114.217 0.4 . 1 . . . . 95 T N . 17111 1 1101 . 1 1 117 117 ALA H H 1 8.312 0.05 . 1 . . . . 96 A HN . 17111 1 1102 . 1 1 117 117 ALA HA H 1 4.534 0.05 . 1 . . . . 96 A HA . 17111 1 1103 . 1 1 117 117 ALA HB1 H 1 1.339 0.05 . 1 . . . . 96 A HB1 . 17111 1 1104 . 1 1 117 117 ALA HB2 H 1 1.339 0.05 . 1 . . . . 96 A HB2 . 17111 1 1105 . 1 1 117 117 ALA HB3 H 1 1.339 0.05 . 1 . . . . 96 A HB3 . 17111 1 1106 . 1 1 117 117 ALA C C 13 173.983 0.4 . 1 . . . . 96 A C . 17111 1 1107 . 1 1 117 117 ALA CA C 13 50.486 0.4 . 1 . . . . 96 A CA . 17111 1 1108 . 1 1 117 117 ALA CB C 13 18.222 0.4 . 1 . . . . 96 A CB . 17111 1 1109 . 1 1 117 117 ALA N N 15 128.156 0.4 . 1 . . . . 96 A N . 17111 1 1110 . 1 1 118 118 PRO HA H 1 4.373 0.05 . 1 . . . . 97 P HA . 17111 1 1111 . 1 1 118 118 PRO HB2 H 1 2.276 0.05 . 1 . . . . 97 P HB1 . 17111 1 1112 . 1 1 118 118 PRO HB3 H 1 2.276 0.05 . 1 . . . . 97 P HB2 . 17111 1 1113 . 1 1 118 118 PRO HD2 H 1 3.629 0.05 . 1 . . . . 97 P HD1 . 17111 1 1114 . 1 1 118 118 PRO HD3 H 1 3.820 0.05 . 1 . . . . 97 P HD2 . 17111 1 1115 . 1 1 118 118 PRO HG2 H 1 1.894 0.05 . 1 . . . . 97 P HG1 . 17111 1 1116 . 1 1 118 118 PRO HG3 H 1 2.065 0.05 . 1 . . . . 97 P HG2 . 17111 1 1117 . 1 1 118 118 PRO CA C 13 62.770 0.4 . 1 . . . . 97 P CA . 17111 1 1118 . 1 1 118 118 PRO CB C 13 32.082 0.4 . 1 . . . . 97 P CB . 17111 1 1119 . 1 1 118 118 PRO CD C 13 50.563 0.4 . 1 . . . . 97 P CD . 17111 1 1120 . 1 1 118 118 PRO CG C 13 27.332 0.4 . 1 . . . . 97 P CG . 17111 1 1121 . 1 1 119 119 GLN H H 1 8.523 0.05 . 1 . . . . 98 Q HN . 17111 1 1122 . 1 1 119 119 GLN HA H 1 4.566 0.05 . 1 . . . . 98 Q HA . 17111 1 1123 . 1 1 119 119 GLN HB2 H 1 2.083 0.05 . 1 . . . . 98 Q HB1 . 17111 1 1124 . 1 1 119 119 GLN HB3 H 1 2.083 0.05 . 1 . . . . 98 Q HB2 . 17111 1 1125 . 1 1 119 119 GLN HG2 H 1 2.396 0.05 . 1 . . . . 98 Q HG1 . 17111 1 1126 . 1 1 119 119 GLN HG3 H 1 2.396 0.05 . 1 . . . . 98 Q HG2 . 17111 1 1127 . 1 1 119 119 GLN C C 13 176.639 0.4 . 1 . . . . 98 Q C . 17111 1 1128 . 1 1 119 119 GLN CA C 13 53.470 0.4 . 1 . . . . 98 Q CA . 17111 1 1129 . 1 1 119 119 GLN CB C 13 28.914 0.4 . 1 . . . . 98 Q CB . 17111 1 1130 . 1 1 119 119 GLN CG C 13 33.636 0.4 . 1 . . . . 98 Q CG . 17111 1 1131 . 1 1 119 119 GLN N N 15 121.849 0.4 . 1 . . . . 98 Q N . 17111 1 1132 . 1 1 120 120 PRO HA H 1 4.360 0.05 . 1 . . . . 99 P HA . 17111 1 1133 . 1 1 120 120 PRO HB2 H 1 2.074 0.05 . 1 . . . . 99 P HB1 . 17111 1 1134 . 1 1 120 120 PRO HB3 H 1 2.074 0.05 . 1 . . . . 99 P HB2 . 17111 1 1135 . 1 1 120 120 PRO HG2 H 1 1.902 0.05 . 1 . . . . 99 P HG1 . 17111 1 1136 . 1 1 120 120 PRO HG3 H 1 1.902 0.05 . 1 . . . . 99 P HG2 . 17111 1 1137 . 1 1 120 120 PRO CA C 13 63.577 0.4 . 1 . . . . 99 P CA . 17111 1 1138 . 1 1 120 120 PRO CB C 13 31.979 0.4 . 1 . . . . 99 P CB . 17111 1 1139 . 1 1 120 120 PRO CD C 13 50.529 0.4 . 1 . . . . 99 P CD . 17111 1 1140 . 1 1 120 120 PRO CG C 13 27.328 0.4 . 1 . . . . 99 P CG . 17111 1 1141 . 1 1 121 121 GLY H H 1 8.558 0.05 . 1 . . . . 100 G HN . 17111 1 1142 . 1 1 121 121 GLY HA2 H 1 3.921 0.05 . 1 . . . . 100 G HA1 . 17111 1 1143 . 1 1 121 121 GLY HA3 H 1 3.930 0.05 . 1 . . . . 100 G HA2 . 17111 1 1144 . 1 1 121 121 GLY C C 13 177.574 0.4 . 1 . . . . 100 G C . 17111 1 1145 . 1 1 121 121 GLY CA C 13 45.556 0.4 . 1 . . . . 100 G CA . 17111 1 1146 . 1 1 121 121 GLY N N 15 109.722 0.4 . 1 . . . . 100 G N . 17111 1 1147 . 1 1 122 122 ALA H H 1 8.117 0.05 . 1 . . . . 101 A HN . 17111 1 1148 . 1 1 122 122 ALA HA H 1 4.269 0.05 . 1 . . . . 101 A HA . 17111 1 1149 . 1 1 122 122 ALA HB1 H 1 1.346 0.05 . 1 . . . . 101 A HB1 . 17111 1 1150 . 1 1 122 122 ALA HB2 H 1 1.346 0.05 . 1 . . . . 101 A HB2 . 17111 1 1151 . 1 1 122 122 ALA HB3 H 1 1.346 0.05 . 1 . . . . 101 A HB3 . 17111 1 1152 . 1 1 122 122 ALA C C 13 173.863 0.4 . 1 . . . . 101 A C . 17111 1 1153 . 1 1 122 122 ALA CA C 13 53.095 0.4 . 1 . . . . 101 A CA . 17111 1 1154 . 1 1 122 122 ALA CB C 13 19.229 0.4 . 1 . . . . 101 A CB . 17111 1 1155 . 1 1 122 122 ALA N N 15 123.742 0.4 . 1 . . . . 101 A N . 17111 1 1156 . 1 1 123 123 GLN H H 1 8.421 0.05 . 1 . . . . 102 Q HN . 17111 1 1157 . 1 1 123 123 GLN HA H 1 4.270 0.05 . 1 . . . . 102 Q HA . 17111 1 1158 . 1 1 123 123 GLN HB2 H 1 2.063 0.05 . 1 . . . . 102 Q HB1 . 17111 1 1159 . 1 1 123 123 GLN HB3 H 1 2.063 0.05 . 1 . . . . 102 Q HB2 . 17111 1 1160 . 1 1 123 123 GLN HG2 H 1 2.348 0.05 . 1 . . . . 102 Q HG1 . 17111 1 1161 . 1 1 123 123 GLN HG3 H 1 2.359 0.05 . 1 . . . . 102 Q HG2 . 17111 1 1162 . 1 1 123 123 GLN C C 13 177.772 0.4 . 1 . . . . 102 Q C . 17111 1 1163 . 1 1 123 123 GLN CA C 13 56.385 0.4 . 1 . . . . 102 Q CA . 17111 1 1164 . 1 1 123 123 GLN CB C 13 29.388 0.4 . 1 . . . . 102 Q CB . 17111 1 1165 . 1 1 123 123 GLN CG C 13 33.642 0.4 . 1 . . . . 102 Q CG . 17111 1 1166 . 1 1 123 123 GLN N N 15 119.438 0.4 . 1 . . . . 102 Q N . 17111 1 1167 . 1 1 124 124 ALA H H 1 8.368 0.05 . 1 . . . . 103 A HN . 17111 1 1168 . 1 1 124 124 ALA HA H 1 4.275 0.05 . 1 . . . . 103 A HA . 17111 1 1169 . 1 1 124 124 ALA HB1 H 1 1.340 0.05 . 1 . . . . 103 A HB1 . 17111 1 1170 . 1 1 124 124 ALA HB2 H 1 1.340 0.05 . 1 . . . . 103 A HB2 . 17111 1 1171 . 1 1 124 124 ALA HB3 H 1 1.340 0.05 . 1 . . . . 103 A HB3 . 17111 1 1172 . 1 1 124 124 ALA C C 13 176.192 0.4 . 1 . . . . 103 A C . 17111 1 1173 . 1 1 124 124 ALA CA C 13 52.912 0.4 . 1 . . . . 103 A CA . 17111 1 1174 . 1 1 124 124 ALA CB C 13 19.149 0.4 . 1 . . . . 103 A CB . 17111 1 1175 . 1 1 124 124 ALA N N 15 125.349 0.4 . 1 . . . . 103 A N . 17111 1 1176 . 1 1 125 125 SER H H 1 8.476 0.05 . 1 . . . . 104 S HN . 17111 1 1177 . 1 1 125 125 SER HA H 1 4.368 0.05 . 1 . . . . 104 S HA . 17111 1 1178 . 1 1 125 125 SER HB2 H 1 3.991 0.05 . 1 . . . . 104 S HB1 . 17111 1 1179 . 1 1 125 125 SER HB3 H 1 3.991 0.05 . 1 . . . . 104 S HB2 . 17111 1 1180 . 1 1 125 125 SER C C 13 178.353 0.4 . 1 . . . . 104 S C . 17111 1 1181 . 1 1 125 125 SER CA C 13 59.402 0.4 . 1 . . . . 104 S CA . 17111 1 1182 . 1 1 125 125 SER CB C 13 63.657 0.4 . 1 . . . . 104 S CB . 17111 1 1183 . 1 1 125 125 SER N N 15 115.789 0.4 . 1 . . . . 104 S N . 17111 1 1184 . 1 1 126 126 ALA H H 1 8.396 0.05 . 1 . . . . 105 A HN . 17111 1 1185 . 1 1 126 126 ALA HA H 1 4.268 0.05 . 1 . . . . 105 A HA . 17111 1 1186 . 1 1 126 126 ALA HB1 H 1 1.438 0.05 . 1 . . . . 105 A HB1 . 17111 1 1187 . 1 1 126 126 ALA HB2 H 1 1.438 0.05 . 1 . . . . 105 A HB2 . 17111 1 1188 . 1 1 126 126 ALA HB3 H 1 1.438 0.05 . 1 . . . . 105 A HB3 . 17111 1 1189 . 1 1 126 126 ALA C C 13 177.798 0.4 . 1 . . . . 105 A C . 17111 1 1190 . 1 1 126 126 ALA CA C 13 54.128 0.4 . 1 . . . . 105 A CA . 17111 1 1191 . 1 1 126 126 ALA CB C 13 18.281 0.4 . 1 . . . . 105 A CB . 17111 1 1192 . 1 1 126 126 ALA N N 15 125.575 0.4 . 1 . . . . 105 A N . 17111 1 1193 . 1 1 127 127 GLN H H 1 8.355 0.05 . 1 . . . . 106 Q HN . 17111 1 1194 . 1 1 127 127 GLN HA H 1 4.272 0.05 . 1 . . . . 106 Q HA . 17111 1 1195 . 1 1 127 127 GLN HB2 H 1 2.076 0.05 . 1 . . . . 106 Q HB1 . 17111 1 1196 . 1 1 127 127 GLN HB3 H 1 2.076 0.05 . 1 . . . . 106 Q HB2 . 17111 1 1197 . 1 1 127 127 GLN HG2 H 1 2.335 0.05 . 1 . . . . 106 Q HG1 . 17111 1 1198 . 1 1 127 127 GLN HG3 H 1 2.335 0.05 . 1 . . . . 106 Q HG2 . 17111 1 1199 . 1 1 127 127 GLN C C 13 172.865 0.4 . 1 . . . . 106 Q C . 17111 1 1200 . 1 1 127 127 GLN CA C 13 56.993 0.4 . 1 . . . . 106 Q CA . 17111 1 1201 . 1 1 127 127 GLN CB C 13 29.181 0.4 . 1 . . . . 106 Q CB . 17111 1 1202 . 1 1 127 127 GLN CG C 13 34.082 0.4 . 1 . . . . 106 Q CG . 17111 1 1203 . 1 1 127 127 GLN N N 15 119.246 0.4 . 1 . . . . 106 Q N . 17111 1 1204 . 1 1 128 128 ARG H H 1 8.127 0.05 . 1 . . . . 107 R HN . 17111 1 1205 . 1 1 128 128 ARG HA H 1 4.263 0.05 . 1 . . . . 107 R HA . 17111 1 1206 . 1 1 128 128 ARG HB2 H 1 2.075 0.05 . 1 . . . . 107 R HB1 . 17111 1 1207 . 1 1 128 128 ARG HB3 H 1 1.892 0.05 . 1 . . . . 107 R HB2 . 17111 1 1208 . 1 1 128 128 ARG HD2 H 1 3.186 0.05 . 1 . . . . 107 R HD1 . 17111 1 1209 . 1 1 128 128 ARG HD3 H 1 3.186 0.05 . 1 . . . . 107 R HD2 . 17111 1 1210 . 1 1 128 128 ARG HG2 H 1 1.617 0.05 . 1 . . . . 107 R HG1 . 17111 1 1211 . 1 1 128 128 ARG HG3 H 1 1.617 0.05 . 1 . . . . 107 R HG2 . 17111 1 1212 . 1 1 128 128 ARG C C 13 177.174 0.4 . 1 . . . . 107 R C . 17111 1 1213 . 1 1 128 128 ARG CA C 13 59.262 0.4 . 1 . . . . 107 R CA . 17111 1 1214 . 1 1 128 128 ARG CB C 13 29.823 0.4 . 1 . . . . 107 R CB . 17111 1 1215 . 1 1 128 128 ARG N N 15 121.688 0.4 . 1 . . . . 107 R N . 17111 1 1216 . 1 1 129 129 GLU H H 1 8.386 0.05 . 1 . . . . 108 E HN . 17111 1 1217 . 1 1 129 129 GLU HA H 1 4.083 0.05 . 1 . . . . 108 E HA . 17111 1 1218 . 1 1 129 129 GLU HB2 H 1 2.077 0.05 . 1 . . . . 108 E HB1 . 17111 1 1219 . 1 1 129 129 GLU HB3 H 1 2.077 0.05 . 1 . . . . 108 E HB2 . 17111 1 1220 . 1 1 129 129 GLU HG2 H 1 2.329 0.05 . 1 . . . . 108 E HG1 . 17111 1 1221 . 1 1 129 129 GLU HG3 H 1 2.329 0.05 . 1 . . . . 108 E HG2 . 17111 1 1222 . 1 1 129 129 GLU CA C 13 58.921 0.4 . 1 . . . . 108 E CA . 17111 1 1223 . 1 1 129 129 GLU CB C 13 29.410 0.4 . 1 . . . . 108 E CB . 17111 1 1224 . 1 1 129 129 GLU CG C 13 36.511 0.4 . 1 . . . . 108 E CG . 17111 1 1225 . 1 1 129 129 GLU N N 15 120.585 0.4 . 1 . . . . 108 E N . 17111 1 1226 . 1 1 130 130 SER H H 1 8.340 0.05 . 1 . . . . 109 S HN . 17111 1 1227 . 1 1 130 130 SER HA H 1 4.455 0.05 . 1 . . . . 109 S HA . 17111 1 1228 . 1 1 130 130 SER HB2 H 1 4.090 0.05 . 1 . . . . 109 S HB1 . 17111 1 1229 . 1 1 130 130 SER HB3 H 1 4.089 0.05 . 1 . . . . 109 S HB2 . 17111 1 1230 . 1 1 130 130 SER C C 13 177.943 0.4 . 1 . . . . 109 S C . 17111 1 1231 . 1 1 130 130 SER CA C 13 60.653 0.4 . 1 . . . . 109 S CA . 17111 1 1232 . 1 1 130 130 SER CB C 13 62.998 0.4 . 1 . . . . 109 S CB . 17111 1 1233 . 1 1 130 130 SER N N 15 116.524 0.4 . 1 . . . . 109 S N . 17111 1 1234 . 1 1 131 131 ILE H H 1 8.404 0.05 . 1 . . . . 110 I HN . 17111 1 1235 . 1 1 131 131 ILE HA H 1 3.995 0.05 . 1 . . . . 110 I HA . 17111 1 1236 . 1 1 131 131 ILE HB H 1 1.887 0.05 . 1 . . . . 110 I HB . 17111 1 1237 . 1 1 131 131 ILE HD11 H 1 0.629 0.05 . 1 . . . . 110 I HD11 . 17111 1 1238 . 1 1 131 131 ILE HD12 H 1 0.629 0.05 . 1 . . . . 110 I HD12 . 17111 1 1239 . 1 1 131 131 ILE HD13 H 1 0.629 0.05 . 1 . . . . 110 I HD13 . 17111 1 1240 . 1 1 131 131 ILE HG12 H 1 1.439 0.05 . 1 . . . . 110 I HG11 . 17111 1 1241 . 1 1 131 131 ILE HG13 H 1 1.439 0.05 . 1 . . . . 110 I HG12 . 17111 1 1242 . 1 1 131 131 ILE HG21 H 1 0.724 0.05 . 1 . . . . 110 I HG21 . 17111 1 1243 . 1 1 131 131 ILE HG22 H 1 0.724 0.05 . 1 . . . . 110 I HG22 . 17111 1 1244 . 1 1 131 131 ILE HG23 H 1 0.724 0.05 . 1 . . . . 110 I HG23 . 17111 1 1245 . 1 1 131 131 ILE C C 13 177.768 0.4 . 1 . . . . 110 I C . 17111 1 1246 . 1 1 131 131 ILE CA C 13 65.557 0.4 . 1 . . . . 110 I CA . 17111 1 1247 . 1 1 131 131 ILE CB C 13 38.122 0.4 . 1 . . . . 110 I CB . 17111 1 1248 . 1 1 131 131 ILE CD1 C 13 14.054 0.4 . 1 . . . . 110 I CD1 . 17111 1 1249 . 1 1 131 131 ILE CG2 C 13 16.946 0.4 . 1 . . . . 110 I CG2 . 17111 1 1250 . 1 1 131 131 ILE N N 15 125.242 0.4 . 1 . . . . 110 I N . 17111 1 1251 . 1 1 132 132 GLN H H 1 8.405 0.05 . 1 . . . . 111 Q HN . 17111 1 1252 . 1 1 132 132 GLN HA H 1 3.814 0.05 . 1 . . . . 111 Q HA . 17111 1 1253 . 1 1 132 132 GLN HB2 H 1 2.099 0.05 . 1 . . . . 111 Q HB1 . 17111 1 1254 . 1 1 132 132 GLN HB3 H 1 2.099 0.05 . 1 . . . . 111 Q HB2 . 17111 1 1255 . 1 1 132 132 GLN HG2 H 1 2.325 0.05 . 1 . . . . 111 Q HG1 . 17111 1 1256 . 1 1 132 132 GLN HG3 H 1 2.325 0.05 . 1 . . . . 111 Q HG2 . 17111 1 1257 . 1 1 132 132 GLN C C 13 177.812 0.4 . 1 . . . . 111 Q C . 17111 1 1258 . 1 1 132 132 GLN CA C 13 60.638 0.4 . 1 . . . . 111 Q CA . 17111 1 1259 . 1 1 132 132 GLN CB C 13 28.626 0.4 . 1 . . . . 111 Q CB . 17111 1 1260 . 1 1 132 132 GLN N N 15 119.372 0.4 . 1 . . . . 111 Q N . 17111 1 1261 . 1 1 133 133 ASP H H 1 8.408 0.05 . 1 . . . . 112 D HN . 17111 1 1262 . 1 1 133 133 ASP HA H 1 4.457 0.05 . 1 . . . . 112 D HA . 17111 1 1263 . 1 1 133 133 ASP HB2 H 1 2.726 0.05 . 1 . . . . 112 D HB1 . 17111 1 1264 . 1 1 133 133 ASP HB3 H 1 2.905 0.05 . 1 . . . . 112 D HB2 . 17111 1 1265 . 1 1 133 133 ASP C C 13 177.745 0.4 . 1 . . . . 112 D C . 17111 1 1266 . 1 1 133 133 ASP CA C 13 58.117 0.4 . 1 . . . . 112 D CA . 17111 1 1267 . 1 1 133 133 ASP CB C 13 40.555 0.4 . 1 . . . . 112 D CB . 17111 1 1268 . 1 1 133 133 ASP N N 15 119.010 0.4 . 1 . . . . 112 D N . 17111 1 1269 . 1 1 134 134 TYR H H 1 8.197 0.05 . 1 . . . . 113 Y HN . 17111 1 1270 . 1 1 134 134 TYR HA H 1 4.141 0.05 . 1 . . . . 113 Y HA . 17111 1 1271 . 1 1 134 134 TYR HB2 H 1 3.240 0.05 . 1 . . . . 113 Y HB1 . 17111 1 1272 . 1 1 134 134 TYR HB3 H 1 3.373 0.05 . 1 . . . . 113 Y HB2 . 17111 1 1273 . 1 1 134 134 TYR HD1 H 1 6.828 0.05 . 1 . . . . 113 Y HD# . 17111 1 1274 . 1 1 134 134 TYR HD2 H 1 6.828 0.05 . 1 . . . . 113 Y HD# . 17111 1 1275 . 1 1 134 134 TYR CA C 13 62.228 0.4 . 1 . . . . 113 Y CA . 17111 1 1276 . 1 1 134 134 TYR CB C 13 38.120 0.4 . 1 . . . . 113 Y CB . 17111 1 1277 . 1 1 134 134 TYR N N 15 121.152 0.4 . 1 . . . . 113 Y N . 17111 1 1278 . 1 1 135 135 LEU H H 1 8.866 0.05 . 1 . . . . 114 L HN . 17111 1 1279 . 1 1 135 135 LEU HA H 1 4.002 0.05 . 1 . . . . 114 L HA . 17111 1 1280 . 1 1 135 135 LEU HB2 H 1 2.324 0.05 . 1 . . . . 114 L HB1 . 17111 1 1281 . 1 1 135 135 LEU HB3 H 1 1.623 0.05 . 1 . . . . 114 L HB2 . 17111 1 1282 . 1 1 135 135 LEU HD11 H 1 0.889 0.05 . 1 . . . . 114 L HD11 . 17111 1 1283 . 1 1 135 135 LEU HD12 H 1 0.889 0.05 . 1 . . . . 114 L HD12 . 17111 1 1284 . 1 1 135 135 LEU HD13 H 1 0.889 0.05 . 1 . . . . 114 L HD13 . 17111 1 1285 . 1 1 135 135 LEU HD21 H 1 0.885 0.05 . 1 . . . . 114 L HD21 . 17111 1 1286 . 1 1 135 135 LEU HD22 H 1 0.885 0.05 . 1 . . . . 114 L HD22 . 17111 1 1287 . 1 1 135 135 LEU HD23 H 1 0.885 0.05 . 1 . . . . 114 L HD23 . 17111 1 1288 . 1 1 135 135 LEU HG H 1 1.060 0.05 . 1 . . . . 114 L HG . 17111 1 1289 . 1 1 135 135 LEU C C 13 179.167 0.4 . 1 . . . . 114 L C . 17111 1 1290 . 1 1 135 135 LEU CA C 13 58.310 0.4 . 1 . . . . 114 L CA . 17111 1 1291 . 1 1 135 135 LEU CB C 13 41.848 0.4 . 1 . . . . 114 L CB . 17111 1 1292 . 1 1 135 135 LEU CD1 C 13 23.057 0.4 . 1 . . . . 114 L CD1 . 17111 1 1293 . 1 1 135 135 LEU CD2 C 13 23.057 0.4 . 1 . . . . 114 L CD2 . 17111 1 1294 . 1 1 135 135 LEU CG C 13 26.321 0.4 . 1 . . . . 114 L CG . 17111 1 1295 . 1 1 135 135 LEU N N 15 120.988 0.4 . 1 . . . . 114 L N . 17111 1 1296 . 1 1 136 136 LYS H H 1 8.469 0.05 . 1 . . . . 115 K HN . 17111 1 1297 . 1 1 136 136 LYS HA H 1 3.818 0.05 . 1 . . . . 115 K HA . 17111 1 1298 . 1 1 136 136 LYS HB2 H 1 1.909 0.05 . 1 . . . . 115 K HB1 . 17111 1 1299 . 1 1 136 136 LYS HB3 H 1 2.043 0.05 . 1 . . . . 115 K HB2 . 17111 1 1300 . 1 1 136 136 LYS HD2 H 1 1.619 0.05 . 1 . . . . 115 K HD1 . 17111 1 1301 . 1 1 136 136 LYS HD3 H 1 1.624 0.05 . 1 . . . . 115 K HD2 . 17111 1 1302 . 1 1 136 136 LYS HG2 H 1 1.068 0.05 . 1 . . . . 115 K HG1 . 17111 1 1303 . 1 1 136 136 LYS HG3 H 1 1.068 0.05 . 1 . . . . 115 K HG2 . 17111 1 1304 . 1 1 136 136 LYS C C 13 177.863 0.4 . 1 . . . . 115 K C . 17111 1 1305 . 1 1 136 136 LYS CA C 13 60.517 0.4 . 1 . . . . 115 K CA . 17111 1 1306 . 1 1 136 136 LYS CB C 13 32.968 0.4 . 1 . . . . 115 K CB . 17111 1 1307 . 1 1 136 136 LYS CD C 13 26.811 0.4 . 1 . . . . 115 K CD . 17111 1 1308 . 1 1 136 136 LYS CG C 13 25.552 0.4 . 1 . . . . 115 K CG . 17111 1 1309 . 1 1 136 136 LYS N N 15 117.585 0.4 . 1 . . . . 115 K N . 17111 1 1310 . 1 1 137 137 GLN H H 1 8.149 0.05 . 1 . . . . 116 Q HN . 17111 1 1311 . 1 1 137 137 GLN HA H 1 3.817 0.05 . 1 . . . . 116 Q HA . 17111 1 1312 . 1 1 137 137 GLN HB2 H 1 2.045 0.05 . 1 . . . . 116 Q HB1 . 17111 1 1313 . 1 1 137 137 GLN HB3 H 1 2.045 0.05 . 1 . . . . 116 Q HB2 . 17111 1 1314 . 1 1 137 137 GLN HG2 H 1 2.297 0.05 . 1 . . . . 116 Q HG1 . 17111 1 1315 . 1 1 137 137 GLN HG3 H 1 2.297 0.05 . 1 . . . . 116 Q HG2 . 17111 1 1316 . 1 1 137 137 GLN C C 13 177.996 0.4 . 1 . . . . 116 Q C . 17111 1 1317 . 1 1 137 137 GLN CA C 13 58.887 0.4 . 1 . . . . 116 Q CA . 17111 1 1318 . 1 1 137 137 GLN CB C 13 28.208 0.4 . 1 . . . . 116 Q CB . 17111 1 1319 . 1 1 137 137 GLN CG C 13 33.263 0.4 . 1 . . . . 116 Q CG . 17111 1 1320 . 1 1 137 137 GLN N N 15 118.584 0.4 . 1 . . . . 116 Q N . 17111 1 1321 . 1 1 138 138 SER H H 1 8.345 0.05 . 1 . . . . 117 S HN . 17111 1 1322 . 1 1 138 138 SER HA H 1 3.998 0.05 . 1 . . . . 117 S HA . 17111 1 1323 . 1 1 138 138 SER HB2 H 1 3.448 0.05 . 1 . . . . 117 S HB1 . 17111 1 1324 . 1 1 138 138 SER HB3 H 1 3.817 0.05 . 1 . . . . 117 S HB2 . 17111 1 1325 . 1 1 138 138 SER C C 13 178.736 0.4 . 1 . . . . 117 S C . 17111 1 1326 . 1 1 138 138 SER CA C 13 60.951 0.4 . 1 . . . . 117 S CA . 17111 1 1327 . 1 1 138 138 SER CB C 13 62.730 0.4 . 1 . . . . 117 S CB . 17111 1 1328 . 1 1 138 138 SER N N 15 114.226 0.4 . 1 . . . . 117 S N . 17111 1 1329 . 1 1 139 139 LEU H H 1 8.289 0.05 . 1 . . . . 118 L HN . 17111 1 1330 . 1 1 139 139 LEU HA H 1 3.250 0.05 . 1 . . . . 118 L HA . 17111 1 1331 . 1 1 139 139 LEU HB2 H 1 1.461 0.05 . 1 . . . . 118 L HB1 . 17111 1 1332 . 1 1 139 139 LEU HB3 H 1 1.288 0.05 . 1 . . . . 118 L HB2 . 17111 1 1333 . 1 1 139 139 LEU HD11 H 1 0.414 0.05 . 1 . . . . 118 L HD11 . 17111 1 1334 . 1 1 139 139 LEU HD12 H 1 0.414 0.05 . 1 . . . . 118 L HD12 . 17111 1 1335 . 1 1 139 139 LEU HD13 H 1 0.414 0.05 . 1 . . . . 118 L HD13 . 17111 1 1336 . 1 1 139 139 LEU HD21 H 1 -0.248 0.05 . 1 . . . . 118 L HD21 . 17111 1 1337 . 1 1 139 139 LEU HD22 H 1 -0.248 0.05 . 1 . . . . 118 L HD22 . 17111 1 1338 . 1 1 139 139 LEU HD23 H 1 -0.248 0.05 . 1 . . . . 118 L HD23 . 17111 1 1339 . 1 1 139 139 LEU HG H 1 1.025 0.05 . 1 . . . . 118 L HG . 17111 1 1340 . 1 1 139 139 LEU C C 13 177.606 0.4 . 1 . . . . 118 L C . 17111 1 1341 . 1 1 139 139 LEU CA C 13 57.715 0.4 . 1 . . . . 118 L CA . 17111 1 1342 . 1 1 139 139 LEU CB C 13 41.325 0.4 . 1 . . . . 118 L CB . 17111 1 1343 . 1 1 139 139 LEU CD1 C 13 25.260 0.4 . 1 . . . . 118 L CD1 . 17111 1 1344 . 1 1 139 139 LEU CD2 C 13 22.542 0.4 . 1 . . . . 118 L CD2 . 17111 1 1345 . 1 1 139 139 LEU CG C 13 26.015 0.4 . 1 . . . . 118 L CG . 17111 1 1346 . 1 1 139 139 LEU N N 15 126.198 0.4 . 1 . . . . 118 L N . 17111 1 1347 . 1 1 140 140 GLY H H 1 8.176 0.05 . 1 . . . . 119 G HN . 17111 1 1348 . 1 1 140 140 GLY HA2 H 1 3.477 0.05 . 1 . . . . 119 G HA1 . 17111 1 1349 . 1 1 140 140 GLY HA3 H 1 3.627 0.05 . 1 . . . . 119 G HA2 . 17111 1 1350 . 1 1 140 140 GLY C C 13 178.554 0.4 . 1 . . . . 119 G C . 17111 1 1351 . 1 1 140 140 GLY CA C 13 47.711 0.4 . 1 . . . . 119 G CA . 17111 1 1352 . 1 1 140 140 GLY N N 15 105.600 0.4 . 1 . . . . 119 G N . 17111 1 1353 . 1 1 141 141 GLU H H 1 7.630 0.05 . 1 . . . . 120 E HN . 17111 1 1354 . 1 1 141 141 GLU HA H 1 3.924 0.05 . 1 . . . . 120 E HA . 17111 1 1355 . 1 1 141 141 GLU HB2 H 1 1.735 0.05 . 1 . . . . 120 E HB1 . 17111 1 1356 . 1 1 141 141 GLU HB3 H 1 1.969 0.05 . 1 . . . . 120 E HB2 . 17111 1 1357 . 1 1 141 141 GLU HG2 H 1 2.372 0.05 . 1 . . . . 120 E HG1 . 17111 1 1358 . 1 1 141 141 GLU HG3 H 1 2.136 0.05 . 1 . . . . 120 E HG2 . 17111 1 1359 . 1 1 141 141 GLU C C 13 175.933 0.4 . 1 . . . . 120 E C . 17111 1 1360 . 1 1 141 141 GLU CA C 13 58.633 0.4 . 1 . . . . 120 E CA . 17111 1 1361 . 1 1 141 141 GLU CB C 13 30.373 0.4 . 1 . . . . 120 E CB . 17111 1 1362 . 1 1 141 141 GLU CG C 13 36.744 0.4 . 1 . . . . 120 E CG . 17111 1 1363 . 1 1 141 141 GLU N N 15 118.852 0.4 . 1 . . . . 120 E N . 17111 1 1364 . 1 1 142 142 LEU H H 1 7.284 0.05 . 1 . . . . 121 L HN . 17111 1 1365 . 1 1 142 142 LEU HA H 1 3.923 0.05 . 1 . . . . 121 L HA . 17111 1 1366 . 1 1 142 142 LEU HB2 H 1 1.485 0.05 . 1 . . . . 121 L HB1 . 17111 1 1367 . 1 1 142 142 LEU HB3 H 1 1.436 0.05 . 1 . . . . 121 L HB2 . 17111 1 1368 . 1 1 142 142 LEU HD11 H 1 0.692 0.05 . 1 . . . . 121 L HD11 . 17111 1 1369 . 1 1 142 142 LEU HD12 H 1 0.692 0.05 . 1 . . . . 121 L HD12 . 17111 1 1370 . 1 1 142 142 LEU HD13 H 1 0.692 0.05 . 1 . . . . 121 L HD13 . 17111 1 1371 . 1 1 142 142 LEU HD21 H 1 0.847 0.05 . 1 . . . . 121 L HD21 . 17111 1 1372 . 1 1 142 142 LEU HD22 H 1 0.847 0.05 . 1 . . . . 121 L HD22 . 17111 1 1373 . 1 1 142 142 LEU HD23 H 1 0.847 0.05 . 1 . . . . 121 L HD23 . 17111 1 1374 . 1 1 142 142 LEU HG H 1 0.696 0.05 . 1 . . . . 121 L HG . 17111 1 1375 . 1 1 142 142 LEU C C 13 178.522 0.4 . 1 . . . . 121 L C . 17111 1 1376 . 1 1 142 142 LEU CA C 13 56.900 0.4 . 1 . . . . 121 L CA . 17111 1 1377 . 1 1 142 142 LEU CB C 13 43.028 0.4 . 1 . . . . 121 L CB . 17111 1 1378 . 1 1 142 142 LEU CD1 C 13 25.274 0.4 . 1 . . . . 121 L CD1 . 17111 1 1379 . 1 1 142 142 LEU CD2 C 13 24.119 0.4 . 1 . . . . 121 L CD2 . 17111 1 1380 . 1 1 142 142 LEU N N 15 119.120 0.4 . 1 . . . . 121 L N . 17111 1 1381 . 1 1 143 143 LEU H H 1 7.609 0.05 . 1 . . . . 122 L HN . 17111 1 1382 . 1 1 143 143 LEU HA H 1 4.246 0.05 . 1 . . . . 122 L HA . 17111 1 1383 . 1 1 143 143 LEU HB2 H 1 1.391 0.05 . 1 . . . . 122 L HB1 . 17111 1 1384 . 1 1 143 143 LEU HB3 H 1 1.507 0.05 . 1 . . . . 122 L HB2 . 17111 1 1385 . 1 1 143 143 LEU HD11 H 1 0.628 0.05 . 1 . . . . 122 L HD11 . 17111 1 1386 . 1 1 143 143 LEU HD12 H 1 0.628 0.05 . 1 . . . . 122 L HD12 . 17111 1 1387 . 1 1 143 143 LEU HD13 H 1 0.628 0.05 . 1 . . . . 122 L HD13 . 17111 1 1388 . 1 1 143 143 LEU HD21 H 1 0.760 0.05 . 1 . . . . 122 L HD21 . 17111 1 1389 . 1 1 143 143 LEU HD22 H 1 0.760 0.05 . 1 . . . . 122 L HD22 . 17111 1 1390 . 1 1 143 143 LEU HD23 H 1 0.760 0.05 . 1 . . . . 122 L HD23 . 17111 1 1391 . 1 1 143 143 LEU HG H 1 1.378 0.05 . 1 . . . . 122 L HG . 17111 1 1392 . 1 1 143 143 LEU C C 13 177.262 0.4 . 1 . . . . 122 L C . 17111 1 1393 . 1 1 143 143 LEU CA C 13 53.625 0.4 . 1 . . . . 122 L CA . 17111 1 1394 . 1 1 143 143 LEU CB C 13 42.337 0.4 . 1 . . . . 122 L CB . 17111 1 1395 . 1 1 143 143 LEU CD1 C 13 21.893 0.4 . 1 . . . . 122 L CD1 . 17111 1 1396 . 1 1 143 143 LEU CD2 C 13 21.923 0.4 . 1 . . . . 122 L CD2 . 17111 1 1397 . 1 1 143 143 LEU CG C 13 26.562 0.4 . 1 . . . . 122 L CG . 17111 1 1398 . 1 1 143 143 LEU N N 15 113.547 0.4 . 1 . . . . 122 L N . 17111 1 1399 . 1 1 144 144 PHE H H 1 7.404 0.05 . 1 . . . . 123 F HN . 17111 1 1400 . 1 1 144 144 PHE HA H 1 4.175 0.05 . 1 . . . . 123 F HA . 17111 1 1401 . 1 1 144 144 PHE HB2 H 1 3.179 0.05 . 1 . . . . 123 F HB1 . 17111 1 1402 . 1 1 144 144 PHE HB3 H 1 3.259 0.05 . 1 . . . . 123 F HB2 . 17111 1 1403 . 1 1 144 144 PHE HD1 H 1 7.012 0.05 . 1 . . . . 123 F HD# . 17111 1 1404 . 1 1 144 144 PHE HD2 H 1 7.012 0.05 . 1 . . . . 123 F HD# . 17111 1 1405 . 1 1 144 144 PHE C C 13 175.590 0.4 . 1 . . . . 123 F C . 17111 1 1406 . 1 1 144 144 PHE CA C 13 58.455 0.4 . 1 . . . . 123 F CA . 17111 1 1407 . 1 1 144 144 PHE CB C 13 35.469 0.4 . 1 . . . . 123 F CB . 17111 1 1408 . 1 1 144 144 PHE N N 15 117.991 0.4 . 1 . . . . 123 F N . 17111 1 1409 . 1 1 145 145 LEU H H 1 8.305 0.05 . 1 . . . . 124 L HN . 17111 1 1410 . 1 1 145 145 LEU HA H 1 4.639 0.05 . 1 . . . . 124 L HA . 17111 1 1411 . 1 1 145 145 LEU HB2 H 1 1.251 0.05 . 1 . . . . 124 L HB1 . 17111 1 1412 . 1 1 145 145 LEU HB3 H 1 1.386 0.05 . 1 . . . . 124 L HB2 . 17111 1 1413 . 1 1 145 145 LEU HD11 H 1 0.788 0.05 . 1 . . . . 124 L HD11 . 17111 1 1414 . 1 1 145 145 LEU HD12 H 1 0.788 0.05 . 1 . . . . 124 L HD12 . 17111 1 1415 . 1 1 145 145 LEU HD13 H 1 0.788 0.05 . 1 . . . . 124 L HD13 . 17111 1 1416 . 1 1 145 145 LEU HD21 H 1 0.653 0.05 . 1 . . . . 124 L HD21 . 17111 1 1417 . 1 1 145 145 LEU HD22 H 1 0.653 0.05 . 1 . . . . 124 L HD22 . 17111 1 1418 . 1 1 145 145 LEU HD23 H 1 0.653 0.05 . 1 . . . . 124 L HD23 . 17111 1 1419 . 1 1 145 145 LEU C C 13 174.952 0.4 . 1 . . . . 124 L C . 17111 1 1420 . 1 1 145 145 LEU CA C 13 52.752 0.4 . 1 . . . . 124 L CA . 17111 1 1421 . 1 1 145 145 LEU CB C 13 45.760 0.4 . 1 . . . . 124 L CB . 17111 1 1422 . 1 1 145 145 LEU CD2 C 13 23.663 0.4 . 1 . . . . 124 L CD2 . 17111 1 1423 . 1 1 145 145 LEU CG C 13 26.207 0.4 . 1 . . . . 124 L CG . 17111 1 1424 . 1 1 145 145 LEU N N 15 118.599 0.4 . 1 . . . . 124 L N . 17111 1 1425 . 1 1 146 146 ASP H H 1 8.349 0.05 . 1 . . . . 125 D HN . 17111 1 1426 . 1 1 146 146 ASP HA H 1 4.721 0.05 . 1 . . . . 125 D HA . 17111 1 1427 . 1 1 146 146 ASP HB2 H 1 2.635 0.05 . 1 . . . . 125 D HB1 . 17111 1 1428 . 1 1 146 146 ASP HB3 H 1 2.680 0.05 . 1 . . . . 125 D HB2 . 17111 1 1429 . 1 1 146 146 ASP C C 13 176.022 0.4 . 1 . . . . 125 D C . 17111 1 1430 . 1 1 146 146 ASP CA C 13 51.735 0.4 . 1 . . . . 125 D CA . 17111 1 1431 . 1 1 146 146 ASP CB C 13 42.026 0.4 . 1 . . . . 125 D CB . 17111 1 1432 . 1 1 146 146 ASP N N 15 122.140 0.4 . 1 . . . . 125 D N . 17111 1 1433 . 1 1 147 147 PRO HA H 1 4.061 0.05 . 1 . . . . 126 P HA . 17111 1 1434 . 1 1 147 147 PRO HB2 H 1 2.124 0.05 . 1 . . . . 126 P HB1 . 17111 1 1435 . 1 1 147 147 PRO HB3 H 1 2.124 0.05 . 1 . . . . 126 P HB2 . 17111 1 1436 . 1 1 147 147 PRO HD2 H 1 3.637 0.05 . 1 . . . . 126 P HD1 . 17111 1 1437 . 1 1 147 147 PRO HD3 H 1 3.637 0.05 . 1 . . . . 126 P HD2 . 17111 1 1438 . 1 1 147 147 PRO HG2 H 1 1.958 0.05 . 1 . . . . 126 P HG1 . 17111 1 1439 . 1 1 147 147 PRO HG3 H 1 1.958 0.05 . 1 . . . . 126 P HG2 . 17111 1 1440 . 1 1 147 147 PRO CA C 13 64.503 0.4 . 1 . . . . 126 P CA . 17111 1 1441 . 1 1 147 147 PRO CB C 13 31.602 0.4 . 1 . . . . 126 P CB . 17111 1 1442 . 1 1 147 147 PRO CG C 13 27.806 0.4 . 1 . . . . 126 P CG . 17111 1 1443 . 1 1 148 148 GLY H H 1 8.579 0.05 . 1 . . . . 127 G HN . 17111 1 1444 . 1 1 148 148 GLY HA2 H 1 3.845 0.05 . 1 . . . . 127 G HA1 . 17111 1 1445 . 1 1 148 148 GLY HA3 H 1 4.060 0.05 . 1 . . . . 127 G HA2 . 17111 1 1446 . 1 1 148 148 GLY C C 13 178.432 0.4 . 1 . . . . 127 G C . 17111 1 1447 . 1 1 148 148 GLY CA C 13 46.138 0.4 . 1 . . . . 127 G CA . 17111 1 1448 . 1 1 148 148 GLY N N 15 104.856 0.4 . 1 . . . . 127 G N . 17111 1 1449 . 1 1 149 149 GLN H H 1 7.842 0.05 . 1 . . . . 128 Q HN . 17111 1 1450 . 1 1 149 149 GLN HA H 1 4.308 0.05 . 1 . . . . 128 Q HA . 17111 1 1451 . 1 1 149 149 GLN HB2 H 1 2.015 0.05 . 1 . . . . 128 Q HB1 . 17111 1 1452 . 1 1 149 149 GLN HB3 H 1 2.044 0.05 . 1 . . . . 128 Q HB2 . 17111 1 1453 . 1 1 149 149 GLN HG2 H 1 2.352 0.05 . 1 . . . . 128 Q HG1 . 17111 1 1454 . 1 1 149 149 GLN HG3 H 1 2.352 0.05 . 1 . . . . 128 Q HG2 . 17111 1 1455 . 1 1 149 149 GLN C C 13 175.421 0.4 . 1 . . . . 128 Q C . 17111 1 1456 . 1 1 149 149 GLN CA C 13 55.205 0.4 . 1 . . . . 128 Q CA . 17111 1 1457 . 1 1 149 149 GLN CB C 13 29.785 0.4 . 1 . . . . 128 Q CB . 17111 1 1458 . 1 1 149 149 GLN CG C 13 34.083 0.4 . 1 . . . . 128 Q CG . 17111 1 1459 . 1 1 149 149 GLN N N 15 116.977 0.4 . 1 . . . . 128 Q N . 17111 1 1460 . 1 1 150 150 LEU H H 1 7.238 0.05 . 1 . . . . 129 L HN . 17111 1 1461 . 1 1 150 150 LEU HA H 1 4.280 0.05 . 1 . . . . 129 L HA . 17111 1 1462 . 1 1 150 150 LEU HB2 H 1 1.803 0.05 . 1 . . . . 129 L HB1 . 17111 1 1463 . 1 1 150 150 LEU HB3 H 1 1.163 0.05 . 1 . . . . 129 L HB2 . 17111 1 1464 . 1 1 150 150 LEU HD11 H 1 0.799 0.05 . 1 . . . . 129 L HD11 . 17111 1 1465 . 1 1 150 150 LEU HD12 H 1 0.799 0.05 . 1 . . . . 129 L HD12 . 17111 1 1466 . 1 1 150 150 LEU HD13 H 1 0.799 0.05 . 1 . . . . 129 L HD13 . 17111 1 1467 . 1 1 150 150 LEU HD21 H 1 0.736 0.05 . 1 . . . . 129 L HD21 . 17111 1 1468 . 1 1 150 150 LEU HD22 H 1 0.736 0.05 . 1 . . . . 129 L HD22 . 17111 1 1469 . 1 1 150 150 LEU HD23 H 1 0.736 0.05 . 1 . . . . 129 L HD23 . 17111 1 1470 . 1 1 150 150 LEU HG H 1 1.615 0.05 . 1 . . . . 129 L HG . 17111 1 1471 . 1 1 150 150 LEU C C 13 176.208 0.4 . 1 . . . . 129 L C . 17111 1 1472 . 1 1 150 150 LEU CA C 13 54.487 0.4 . 1 . . . . 129 L CA . 17111 1 1473 . 1 1 150 150 LEU CB C 13 42.058 0.4 . 1 . . . . 129 L CB . 17111 1 1474 . 1 1 150 150 LEU CD1 C 13 26.765 0.4 . 1 . . . . 129 L CD1 . 17111 1 1475 . 1 1 150 150 LEU CD2 C 13 24.341 0.4 . 1 . . . . 129 L CD2 . 17111 1 1476 . 1 1 150 150 LEU N N 15 120.801 0.4 . 1 . . . . 129 L N . 17111 1 1477 . 1 1 151 151 ARG H H 1 8.060 0.05 . 1 . . . . 130 R HN . 17111 1 1478 . 1 1 151 151 ARG HA H 1 4.265 0.05 . 1 . . . . 130 R HA . 17111 1 1479 . 1 1 151 151 ARG HB2 H 1 1.709 0.05 . 1 . . . . 130 R HB1 . 17111 1 1480 . 1 1 151 151 ARG HB3 H 1 1.979 0.05 . 1 . . . . 130 R HB2 . 17111 1 1481 . 1 1 151 151 ARG HD2 H 1 3.168 0.05 . 1 . . . . 130 R HD1 . 17111 1 1482 . 1 1 151 151 ARG HD3 H 1 3.168 0.05 . 1 . . . . 130 R HD2 . 17111 1 1483 . 1 1 151 151 ARG HG2 H 1 1.671 0.05 . 1 . . . . 130 R HG1 . 17111 1 1484 . 1 1 151 151 ARG C C 13 175.882 0.4 . 1 . . . . 130 R C . 17111 1 1485 . 1 1 151 151 ARG CA C 13 54.381 0.4 . 1 . . . . 130 R CA . 17111 1 1486 . 1 1 151 151 ARG CB C 13 31.200 0.4 . 1 . . . . 130 R CB . 17111 1 1487 . 1 1 151 151 ARG N N 15 122.837 0.4 . 1 . . . . 130 R N . 17111 1 1488 . 1 1 152 152 SER HB2 H 1 3.911 0.05 . 1 . . . . 131 S HB1 . 17111 1 1489 . 1 1 152 152 SER HB3 H 1 3.911 0.05 . 1 . . . . 131 S HB2 . 17111 1 1490 . 1 1 153 153 GLY H H 1 8.233 0.05 . 1 . . . . 132 G HN . 17111 1 1491 . 1 1 153 153 GLY HA2 H 1 3.631 0.05 . 1 . . . . 132 G HA1 . 17111 1 1492 . 1 1 153 153 GLY HA3 H 1 4.181 0.05 . 1 . . . . 132 G HA2 . 17111 1 1493 . 1 1 153 153 GLY CA C 13 44.405 0.4 . 1 . . . . 132 G CA . 17111 1 1494 . 1 1 153 153 GLY N N 15 106.018 0.4 . 1 . . . . 132 G N . 17111 1 1495 . 1 1 154 154 ALA H H 1 7.269 0.05 . 1 . . . . 133 A HN . 17111 1 1496 . 1 1 154 154 ALA HA H 1 4.141 0.05 . 1 . . . . 133 A HA . 17111 1 1497 . 1 1 154 154 ALA HB1 H 1 1.347 0.05 . 1 . . . . 133 A HB1 . 17111 1 1498 . 1 1 154 154 ALA HB2 H 1 1.347 0.05 . 1 . . . . 133 A HB2 . 17111 1 1499 . 1 1 154 154 ALA HB3 H 1 1.347 0.05 . 1 . . . . 133 A HB3 . 17111 1 1500 . 1 1 154 154 ALA C C 13 174.029 0.4 . 1 . . . . 133 A C . 17111 1 1501 . 1 1 154 154 ALA CA C 13 51.961 0.4 . 1 . . . . 133 A CA . 17111 1 1502 . 1 1 154 154 ALA CB C 13 19.307 0.4 . 1 . . . . 133 A CB . 17111 1 1503 . 1 1 154 154 ALA N N 15 122.690 0.4 . 1 . . . . 133 A N . 17111 1 1504 . 1 1 155 155 GLN H H 1 8.707 0.05 . 1 . . . . 134 Q HN . 17111 1 1505 . 1 1 155 155 GLN HA H 1 4.667 0.05 . 1 . . . . 134 Q HA . 17111 1 1506 . 1 1 155 155 GLN HB2 H 1 1.898 0.05 . 1 . . . . 134 Q HB1 . 17111 1 1507 . 1 1 155 155 GLN HB3 H 1 1.898 0.05 . 1 . . . . 134 Q HB2 . 17111 1 1508 . 1 1 155 155 GLN HG2 H 1 2.522 0.05 . 1 . . . . 134 Q HG1 . 17111 1 1509 . 1 1 155 155 GLN HG3 H 1 2.174 0.05 . 1 . . . . 134 Q HG2 . 17111 1 1510 . 1 1 155 155 GLN C C 13 176.596 0.4 . 1 . . . . 134 Q C . 17111 1 1511 . 1 1 155 155 GLN CA C 13 54.205 0.4 . 1 . . . . 134 Q CA . 17111 1 1512 . 1 1 155 155 GLN CB C 13 28.768 0.4 . 1 . . . . 134 Q CB . 17111 1 1513 . 1 1 155 155 GLN CG C 13 34.366 0.4 . 1 . . . . 134 Q CG . 17111 1 1514 . 1 1 155 155 GLN N N 15 119.757 0.4 . 1 . . . . 134 Q N . 17111 1 1515 . 1 1 156 156 PHE H H 1 7.763 0.05 . 1 . . . . 135 F HN . 17111 1 1516 . 1 1 156 156 PHE HA H 1 4.186 0.05 . 1 . . . . 135 F HA . 17111 1 1517 . 1 1 156 156 PHE HB2 H 1 3.275 0.05 . 1 . . . . 135 F HB1 . 17111 1 1518 . 1 1 156 156 PHE HB3 H 1 2.829 0.05 . 1 . . . . 135 F HB2 . 17111 1 1519 . 1 1 156 156 PHE HD1 H 1 7.297 0.05 . 1 . . . . 135 F HD# . 17111 1 1520 . 1 1 156 156 PHE HD2 H 1 7.297 0.05 . 1 . . . . 135 F HD# . 17111 1 1521 . 1 1 156 156 PHE HE1 H 1 7.111 0.05 . 1 . . . . 135 F HE# . 17111 1 1522 . 1 1 156 156 PHE HE2 H 1 7.111 0.05 . 1 . . . . 135 F HE# . 17111 1 1523 . 1 1 156 156 PHE C C 13 178.433 0.4 . 1 . . . . 135 F C . 17111 1 1524 . 1 1 156 156 PHE CA C 13 61.400 0.4 . 1 . . . . 135 F CA . 17111 1 1525 . 1 1 156 156 PHE CB C 13 38.095 0.4 . 1 . . . . 135 F CB . 17111 1 1526 . 1 1 156 156 PHE N N 15 123.330 0.4 . 1 . . . . 135 F N . 17111 1 1527 . 1 1 157 157 LEU H H 1 8.777 0.05 . 1 . . . . 136 L HN . 17111 1 1528 . 1 1 157 157 LEU HA H 1 4.267 0.05 . 1 . . . . 136 L HA . 17111 1 1529 . 1 1 157 157 LEU HB2 H 1 1.656 0.05 . 1 . . . . 136 L HB1 . 17111 1 1530 . 1 1 157 157 LEU HB3 H 1 1.757 0.05 . 1 . . . . 136 L HB2 . 17111 1 1531 . 1 1 157 157 LEU HD11 H 1 0.902 0.05 . 1 . . . . 136 L HD11 . 17111 1 1532 . 1 1 157 157 LEU HD12 H 1 0.902 0.05 . 1 . . . . 136 L HD12 . 17111 1 1533 . 1 1 157 157 LEU HD13 H 1 0.902 0.05 . 1 . . . . 136 L HD13 . 17111 1 1534 . 1 1 157 157 LEU HD21 H 1 0.950 0.05 . 1 . . . . 136 L HD21 . 17111 1 1535 . 1 1 157 157 LEU HD22 H 1 0.950 0.05 . 1 . . . . 136 L HD22 . 17111 1 1536 . 1 1 157 157 LEU HD23 H 1 0.950 0.05 . 1 . . . . 136 L HD23 . 17111 1 1537 . 1 1 157 157 LEU C C 13 178.928 0.4 . 1 . . . . 136 L C . 17111 1 1538 . 1 1 157 157 LEU CA C 13 58.099 0.4 . 1 . . . . 136 L CA . 17111 1 1539 . 1 1 157 157 LEU CB C 13 41.805 0.4 . 1 . . . . 136 L CB . 17111 1 1540 . 1 1 157 157 LEU CD1 C 13 23.337 0.4 . 1 . . . . 136 L CD1 . 17111 1 1541 . 1 1 157 157 LEU CD2 C 13 24.733 0.4 . 1 . . . . 136 L CD2 . 17111 1 1542 . 1 1 157 157 LEU N N 15 117.627 0.4 . 1 . . . . 136 L N . 17111 1 1543 . 1 1 158 158 ASP H H 1 7.314 0.05 . 1 . . . . 137 D HN . 17111 1 1544 . 1 1 158 158 ASP HA H 1 4.548 0.05 . 1 . . . . 137 D HA . 17111 1 1545 . 1 1 158 158 ASP HB2 H 1 2.817 0.05 . 1 . . . . 137 D HB1 . 17111 1 1546 . 1 1 158 158 ASP HB3 H 1 2.861 0.05 . 1 . . . . 137 D HB2 . 17111 1 1547 . 1 1 158 158 ASP C C 13 180.175 0.4 . 1 . . . . 137 D C . 17111 1 1548 . 1 1 158 158 ASP CA C 13 56.270 0.4 . 1 . . . . 137 D CA . 17111 1 1549 . 1 1 158 158 ASP CB C 13 40.458 0.4 . 1 . . . . 137 D CB . 17111 1 1550 . 1 1 158 158 ASP N N 15 118.908 0.4 . 1 . . . . 137 D N . 17111 1 1551 . 1 1 159 159 LEU H H 1 7.562 0.05 . 1 . . . . 138 L HN . 17111 1 1552 . 1 1 159 159 LEU HA H 1 4.184 0.05 . 1 . . . . 138 L HA . 17111 1 1553 . 1 1 159 159 LEU HB2 H 1 1.815 0.05 . 1 . . . . 138 L HB1 . 17111 1 1554 . 1 1 159 159 LEU HB3 H 1 1.604 0.05 . 1 . . . . 138 L HB2 . 17111 1 1555 . 1 1 159 159 LEU HD11 H 1 0.755 0.05 . 1 . . . . 138 L HD11 . 17111 1 1556 . 1 1 159 159 LEU HD12 H 1 0.755 0.05 . 1 . . . . 138 L HD12 . 17111 1 1557 . 1 1 159 159 LEU HD13 H 1 0.755 0.05 . 1 . . . . 138 L HD13 . 17111 1 1558 . 1 1 159 159 LEU HD21 H 1 0.759 0.05 . 1 . . . . 138 L HD21 . 17111 1 1559 . 1 1 159 159 LEU HD22 H 1 0.759 0.05 . 1 . . . . 138 L HD22 . 17111 1 1560 . 1 1 159 159 LEU HD23 H 1 0.759 0.05 . 1 . . . . 138 L HD23 . 17111 1 1561 . 1 1 159 159 LEU HG H 1 1.583 0.05 . 1 . . . . 138 L HG . 17111 1 1562 . 1 1 159 159 LEU C C 13 177.579 0.4 . 1 . . . . 138 L C . 17111 1 1563 . 1 1 159 159 LEU CA C 13 54.774 0.4 . 1 . . . . 138 L CA . 17111 1 1564 . 1 1 159 159 LEU CB C 13 42.239 0.4 . 1 . . . . 138 L CB . 17111 1 1565 . 1 1 159 159 LEU CD1 C 13 25.819 0.4 . 1 . . . . 138 L CD1 . 17111 1 1566 . 1 1 159 159 LEU CD2 C 13 22.896 0.4 . 1 . . . . 138 L CD2 . 17111 1 1567 . 1 1 159 159 LEU CG C 13 26.151 0.4 . 1 . . . . 138 L CG . 17111 1 1568 . 1 1 159 159 LEU N N 15 118.060 0.4 . 1 . . . . 138 L N . 17111 1 1569 . 1 1 160 160 GLY H H 1 7.582 0.05 . 1 . . . . 139 G HN . 17111 1 1570 . 1 1 160 160 GLY HA2 H 1 3.723 0.05 . 1 . . . . 139 G HA1 . 17111 1 1571 . 1 1 160 160 GLY HA3 H 1 4.269 0.05 . 1 . . . . 139 G HA2 . 17111 1 1572 . 1 1 160 160 GLY C C 13 176.702 0.4 . 1 . . . . 139 G C . 17111 1 1573 . 1 1 160 160 GLY CA C 13 45.301 0.4 . 1 . . . . 139 G CA . 17111 1 1574 . 1 1 160 160 GLY N N 15 103.999 0.4 . 1 . . . . 139 G N . 17111 1 1575 . 1 1 161 161 MET H H 1 7.417 0.05 . 1 . . . . 140 M HN . 17111 1 1576 . 1 1 161 161 MET HA H 1 4.106 0.05 . 1 . . . . 140 M HA . 17111 1 1577 . 1 1 161 161 MET HB2 H 1 1.623 0.05 . 1 . . . . 140 M HB1 . 17111 1 1578 . 1 1 161 161 MET HB3 H 1 1.796 0.05 . 1 . . . . 140 M HB2 . 17111 1 1579 . 1 1 161 161 MET HE1 H 1 1.438 0.05 . 1 . . . . 140 M HE1 . 17111 1 1580 . 1 1 161 161 MET HE2 H 1 1.438 0.05 . 1 . . . . 140 M HE2 . 17111 1 1581 . 1 1 161 161 MET HE3 H 1 1.438 0.05 . 1 . . . . 140 M HE3 . 17111 1 1582 . 1 1 161 161 MET HG2 H 1 2.290 0.05 . 1 . . . . 140 M HG1 . 17111 1 1583 . 1 1 161 161 MET HG3 H 1 2.349 0.05 . 1 . . . . 140 M HG2 . 17111 1 1584 . 1 1 161 161 MET C C 13 174.789 0.4 . 1 . . . . 140 M C . 17111 1 1585 . 1 1 161 161 MET CA C 13 56.183 0.4 . 1 . . . . 140 M CA . 17111 1 1586 . 1 1 161 161 MET CB C 13 34.233 0.4 . 1 . . . . 140 M CB . 17111 1 1587 . 1 1 161 161 MET CG C 13 31.934 0.4 . 1 . . . . 140 M CG . 17111 1 1588 . 1 1 161 161 MET N N 15 119.651 0.4 . 1 . . . . 140 M N . 17111 1 1589 . 1 1 162 162 ASP H H 1 7.789 0.05 . 1 . . . . 141 D HN . 17111 1 1590 . 1 1 162 162 ASP HA H 1 4.754 0.05 . 1 . . . . 141 D HA . 17111 1 1591 . 1 1 162 162 ASP HB2 H 1 2.705 0.05 . 1 . . . . 141 D HB1 . 17111 1 1592 . 1 1 162 162 ASP HB3 H 1 3.179 0.05 . 1 . . . . 141 D HB2 . 17111 1 1593 . 1 1 162 162 ASP C C 13 173.623 0.4 . 1 . . . . 141 D C . 17111 1 1594 . 1 1 162 162 ASP CA C 13 52.402 0.4 . 1 . . . . 141 D CA . 17111 1 1595 . 1 1 162 162 ASP CB C 13 42.850 0.4 . 1 . . . . 141 D CB . 17111 1 1596 . 1 1 162 162 ASP N N 15 124.360 0.4 . 1 . . . . 141 D N . 17111 1 1597 . 1 1 163 163 SER H H 1 8.679 0.05 . 1 . . . . 142 S HN . 17111 1 1598 . 1 1 163 163 SER HA H 1 4.275 0.05 . 1 . . . . 142 S HA . 17111 1 1599 . 1 1 163 163 SER HB2 H 1 4.004 0.05 . 1 . . . . 142 S HB1 . 17111 1 1600 . 1 1 163 163 SER HB3 H 1 4.004 0.05 . 1 . . . . 142 S HB2 . 17111 1 1601 . 1 1 163 163 SER CA C 13 61.593 0.4 . 1 . . . . 142 S CA . 17111 1 1602 . 1 1 163 163 SER CB C 13 62.824 0.4 . 1 . . . . 142 S CB . 17111 1 1603 . 1 1 163 163 SER N N 15 113.586 0.4 . 1 . . . . 142 S N . 17111 1 1604 . 1 1 164 164 VAL H H 1 8.157 0.05 . 1 . . . . 143 V HN . 17111 1 1605 . 1 1 164 164 VAL HA H 1 3.831 0.05 . 1 . . . . 143 V HA . 17111 1 1606 . 1 1 164 164 VAL HB H 1 2.352 0.05 . 1 . . . . 143 V HB . 17111 1 1607 . 1 1 164 164 VAL HG11 H 1 1.006 0.05 . 1 . . . . 143 V HG11 . 17111 1 1608 . 1 1 164 164 VAL HG12 H 1 1.006 0.05 . 1 . . . . 143 V HG12 . 17111 1 1609 . 1 1 164 164 VAL HG13 H 1 1.006 0.05 . 1 . . . . 143 V HG13 . 17111 1 1610 . 1 1 164 164 VAL HG21 H 1 1.066 0.05 . 1 . . . . 143 V HG21 . 17111 1 1611 . 1 1 164 164 VAL HG22 H 1 1.066 0.05 . 1 . . . . 143 V HG22 . 17111 1 1612 . 1 1 164 164 VAL HG23 H 1 1.066 0.05 . 1 . . . . 143 V HG23 . 17111 1 1613 . 1 1 164 164 VAL C C 13 177.163 0.4 . 1 . . . . 143 V C . 17111 1 1614 . 1 1 164 164 VAL CA C 13 66.540 0.4 . 1 . . . . 143 V CA . 17111 1 1615 . 1 1 164 164 VAL CB C 13 31.698 0.4 . 1 . . . . 143 V CB . 17111 1 1616 . 1 1 164 164 VAL CG1 C 13 22.406 0.4 . 1 . . . . 143 V CG1 . 17111 1 1617 . 1 1 164 164 VAL CG2 C 13 21.117 0.4 . 1 . . . . 143 V CG2 . 17111 1 1618 . 1 1 164 164 VAL N N 15 125.423 0.4 . 1 . . . . 143 V N . 17111 1 1619 . 1 1 165 165 THR H H 1 8.745 0.05 . 1 . . . . 144 T HN . 17111 1 1620 . 1 1 165 165 THR HA H 1 4.079 0.05 . 1 . . . . 144 T HA . 17111 1 1621 . 1 1 165 165 THR HB H 1 4.086 0.05 . 1 . . . . 144 T HB . 17111 1 1622 . 1 1 165 165 THR HG21 H 1 1.252 0.05 . 1 . . . . 144 T HG21 . 17111 1 1623 . 1 1 165 165 THR HG22 H 1 1.252 0.05 . 1 . . . . 144 T HG22 . 17111 1 1624 . 1 1 165 165 THR HG23 H 1 1.252 0.05 . 1 . . . . 144 T HG23 . 17111 1 1625 . 1 1 165 165 THR C C 13 179.283 0.4 . 1 . . . . 144 T C . 17111 1 1626 . 1 1 165 165 THR CA C 13 65.890 0.4 . 1 . . . . 144 T CA . 17111 1 1627 . 1 1 165 165 THR CB C 13 68.015 0.4 . 1 . . . . 144 T CB . 17111 1 1628 . 1 1 165 165 THR CG2 C 13 22.983 0.4 . 1 . . . . 144 T CG2 . 17111 1 1629 . 1 1 165 165 THR N N 15 117.625 0.4 . 1 . . . . 144 T N . 17111 1 1630 . 1 1 166 166 GLY H H 1 8.996 0.05 . 1 . . . . 145 G HN . 17111 1 1631 . 1 1 166 166 GLY HA2 H 1 3.910 0.05 . 1 . . . . 145 G HA1 . 17111 1 1632 . 1 1 166 166 GLY HA3 H 1 4.086 0.05 . 1 . . . . 145 G HA2 . 17111 1 1633 . 1 1 166 166 GLY C C 13 177.763 0.4 . 1 . . . . 145 G C . 17111 1 1634 . 1 1 166 166 GLY CA C 13 48.237 0.4 . 1 . . . . 145 G CA . 17111 1 1635 . 1 1 166 166 GLY N N 15 109.969 0.4 . 1 . . . . 145 G N . 17111 1 1636 . 1 1 167 167 THR H H 1 7.930 0.05 . 1 . . . . 146 T HN . 17111 1 1637 . 1 1 167 167 THR HA H 1 4.008 0.05 . 1 . . . . 146 T HA . 17111 1 1638 . 1 1 167 167 THR HB H 1 4.453 0.05 . 1 . . . . 146 T HB . 17111 1 1639 . 1 1 167 167 THR HG21 H 1 1.275 0.05 . 1 . . . . 146 T HG21 . 17111 1 1640 . 1 1 167 167 THR HG22 H 1 1.275 0.05 . 1 . . . . 146 T HG22 . 17111 1 1641 . 1 1 167 167 THR HG23 H 1 1.275 0.05 . 1 . . . . 146 T HG23 . 17111 1 1642 . 1 1 167 167 THR C C 13 175.452 0.4 . 1 . . . . 146 T C . 17111 1 1643 . 1 1 167 167 THR CA C 13 66.853 0.4 . 1 . . . . 146 T CA . 17111 1 1644 . 1 1 167 167 THR CB C 13 68.623 0.4 . 1 . . . . 146 T CB . 17111 1 1645 . 1 1 167 167 THR CG2 C 13 20.754 0.4 . 1 . . . . 146 T CG2 . 17111 1 1646 . 1 1 167 167 THR N N 15 118.606 0.4 . 1 . . . . 146 T N . 17111 1 1647 . 1 1 168 168 GLN H H 1 7.779 0.05 . 1 . . . . 147 Q HN . 17111 1 1648 . 1 1 168 168 GLN HA H 1 4.081 0.05 . 1 . . . . 147 Q HA . 17111 1 1649 . 1 1 168 168 GLN HB2 H 1 2.345 0.05 . 1 . . . . 147 Q HB1 . 17111 1 1650 . 1 1 168 168 GLN HB3 H 1 2.338 0.05 . 1 . . . . 147 Q HB2 . 17111 1 1651 . 1 1 168 168 GLN HG2 H 1 2.508 0.05 . 1 . . . . 147 Q HG1 . 17111 1 1652 . 1 1 168 168 GLN HG3 H 1 2.510 0.05 . 1 . . . . 147 Q HG2 . 17111 1 1653 . 1 1 168 168 GLN C C 13 176.984 0.4 . 1 . . . . 147 Q C . 17111 1 1654 . 1 1 168 168 GLN CA C 13 59.092 0.4 . 1 . . . . 147 Q CA . 17111 1 1655 . 1 1 168 168 GLN CB C 13 28.406 0.4 . 1 . . . . 147 Q CB . 17111 1 1656 . 1 1 168 168 GLN CG C 13 33.186 0.4 . 1 . . . . 147 Q CG . 17111 1 1657 . 1 1 168 168 GLN N N 15 121.818 0.4 . 1 . . . . 147 Q N . 17111 1 1658 . 1 1 169 169 TRP H H 1 9.096 0.05 . 1 . . . . 148 W HN . 17111 1 1659 . 1 1 169 169 TRP HA H 1 4.544 0.05 . 1 . . . . 148 W HA . 17111 1 1660 . 1 1 169 169 TRP HB2 H 1 3.101 0.05 . 1 . . . . 148 W HB1 . 17111 1 1661 . 1 1 169 169 TRP HB3 H 1 3.355 0.05 . 1 . . . . 148 W HB2 . 17111 1 1662 . 1 1 169 169 TRP HD1 H 1 7.297 0.05 . 1 . . . . 148 W HD1 . 17111 1 1663 . 1 1 169 169 TRP HE1 H 1 9.977 0.05 . 1 . . . . 148 W HE1 . 17111 1 1664 . 1 1 169 169 TRP HE3 H 1 8.295 0.05 . 1 . . . . 148 W HE3 . 17111 1 1665 . 1 1 169 169 TRP HZ2 H 1 7.256 0.05 . 1 . . . . 148 W HZ2 . 17111 1 1666 . 1 1 169 169 TRP HZ3 H 1 6.917 0.05 . 1 . . . . 148 W HZ3 . 17111 1 1667 . 1 1 169 169 TRP C C 13 179.301 0.4 . 1 . . . . 148 W C . 17111 1 1668 . 1 1 169 169 TRP CA C 13 59.421 0.4 . 1 . . . . 148 W CA . 17111 1 1669 . 1 1 169 169 TRP CB C 13 29.020 0.4 . 1 . . . . 148 W CB . 17111 1 1670 . 1 1 169 169 TRP N N 15 122.465 0.4 . 1 . . . . 148 W N . 17111 1 1671 . 1 1 169 169 TRP NE1 N 15 128.495 0.4 . 1 . . . . 148 W NE1 . 17111 1 1672 . 1 1 170 170 MET H H 1 8.563 0.05 . 1 . . . . 149 M HN . 17111 1 1673 . 1 1 170 170 MET HA H 1 4.080 0.05 . 1 . . . . 149 M HA . 17111 1 1674 . 1 1 170 170 MET HB2 H 1 2.169 0.05 . 1 . . . . 149 M HB1 . 17111 1 1675 . 1 1 170 170 MET HB3 H 1 2.169 0.05 . 1 . . . . 149 M HB2 . 17111 1 1676 . 1 1 170 170 MET HE1 H 1 1.248 0.05 . 1 . . . . 149 M HE1 . 17111 1 1677 . 1 1 170 170 MET HE2 H 1 1.248 0.05 . 1 . . . . 149 M HE2 . 17111 1 1678 . 1 1 170 170 MET HE3 H 1 1.248 0.05 . 1 . . . . 149 M HE3 . 17111 1 1679 . 1 1 170 170 MET HG2 H 1 2.532 0.05 . 1 . . . . 149 M HG1 . 17111 1 1680 . 1 1 170 170 MET HG3 H 1 2.943 0.05 . 1 . . . . 149 M HG2 . 17111 1 1681 . 1 1 170 170 MET C C 13 178.747 0.4 . 1 . . . . 149 M C . 17111 1 1682 . 1 1 170 170 MET CA C 13 57.044 0.4 . 1 . . . . 149 M CA . 17111 1 1683 . 1 1 170 170 MET CB C 13 33.224 0.4 . 1 . . . . 149 M CB . 17111 1 1684 . 1 1 170 170 MET CE C 13 19.407 0.4 . 1 . . . . 149 M CE . 17111 1 1685 . 1 1 170 170 MET CG C 13 33.116 0.4 . 1 . . . . 149 M CG . 17111 1 1686 . 1 1 170 170 MET N N 15 116.024 0.4 . 1 . . . . 149 M N . 17111 1 1687 . 1 1 171 171 ARG H H 1 7.998 0.05 . 1 . . . . 150 R HN . 17111 1 1688 . 1 1 171 171 ARG HA H 1 4.187 0.05 . 1 . . . . 150 R HA . 17111 1 1689 . 1 1 171 171 ARG HB2 H 1 1.989 0.05 . 1 . . . . 150 R HB1 . 17111 1 1690 . 1 1 171 171 ARG HB3 H 1 1.989 0.05 . 1 . . . . 150 R HB2 . 17111 1 1691 . 1 1 171 171 ARG HD2 H 1 3.236 0.05 . 1 . . . . 150 R HD1 . 17111 1 1692 . 1 1 171 171 ARG HD3 H 1 3.237 0.05 . 1 . . . . 150 R HD2 . 17111 1 1693 . 1 1 171 171 ARG HG2 H 1 1.634 0.05 . 1 . . . . 150 R HG1 . 17111 1 1694 . 1 1 171 171 ARG HG3 H 1 1.634 0.05 . 1 . . . . 150 R HG2 . 17111 1 1695 . 1 1 171 171 ARG C C 13 179.839 0.4 . 1 . . . . 150 R C . 17111 1 1696 . 1 1 171 171 ARG CA C 13 59.886 0.4 . 1 . . . . 150 R CA . 17111 1 1697 . 1 1 171 171 ARG CB C 13 29.869 0.4 . 1 . . . . 150 R CB . 17111 1 1698 . 1 1 171 171 ARG CD C 13 43.623 0.4 . 1 . . . . 150 R CD . 17111 1 1699 . 1 1 171 171 ARG CG C 13 27.752 0.4 . 1 . . . . 150 R CG . 17111 1 1700 . 1 1 171 171 ARG N N 15 121.818 0.4 . 1 . . . . 150 R N . 17111 1 1701 . 1 1 172 172 GLY H H 1 7.811 0.05 . 1 . . . . 151 G HN . 17111 1 1702 . 1 1 172 172 GLY HA2 H 1 3.912 0.05 . 1 . . . . 151 G HA1 . 17111 1 1703 . 1 1 172 172 GLY HA3 H 1 4.181 0.05 . 1 . . . . 151 G HA2 . 17111 1 1704 . 1 1 172 172 GLY C C 13 179.512 0.4 . 1 . . . . 151 G C . 17111 1 1705 . 1 1 172 172 GLY CA C 13 47.318 0.4 . 1 . . . . 151 G CA . 17111 1 1706 . 1 1 172 172 GLY N N 15 107.946 0.4 . 1 . . . . 151 G N . 17111 1 1707 . 1 1 173 173 VAL H H 1 8.701 0.05 . 1 . . . . 152 V HN . 17111 1 1708 . 1 1 173 173 VAL HA H 1 3.614 0.05 . 1 . . . . 152 V HA . 17111 1 1709 . 1 1 173 173 VAL HB H 1 1.786 0.05 . 1 . . . . 152 V HB . 17111 1 1710 . 1 1 173 173 VAL HG11 H 1 0.803 0.05 . 1 . . . . 152 V HG11 . 17111 1 1711 . 1 1 173 173 VAL HG12 H 1 0.803 0.05 . 1 . . . . 152 V HG12 . 17111 1 1712 . 1 1 173 173 VAL HG13 H 1 0.803 0.05 . 1 . . . . 152 V HG13 . 17111 1 1713 . 1 1 173 173 VAL HG21 H 1 0.249 0.05 . 1 . . . . 152 V HG21 . 17111 1 1714 . 1 1 173 173 VAL HG22 H 1 0.249 0.05 . 1 . . . . 152 V HG22 . 17111 1 1715 . 1 1 173 173 VAL HG23 H 1 0.249 0.05 . 1 . . . . 152 V HG23 . 17111 1 1716 . 1 1 173 173 VAL C C 13 176.912 0.4 . 1 . . . . 152 V C . 17111 1 1717 . 1 1 173 173 VAL CA C 13 67.079 0.4 . 1 . . . . 152 V CA . 17111 1 1718 . 1 1 173 173 VAL CB C 13 32.061 0.4 . 1 . . . . 152 V CB . 17111 1 1719 . 1 1 173 173 VAL CG1 C 13 22.128 0.4 . 1 . . . . 152 V CG1 . 17111 1 1720 . 1 1 173 173 VAL CG2 C 13 22.047 0.4 . 1 . . . . 152 V CG2 . 17111 1 1721 . 1 1 173 173 VAL N N 15 124.990 0.4 . 1 . . . . 152 V N . 17111 1 1722 . 1 1 174 174 SER H H 1 8.436 0.05 . 1 . . . . 153 S HN . 17111 1 1723 . 1 1 174 174 SER HA H 1 4.171 0.05 . 1 . . . . 153 S HA . 17111 1 1724 . 1 1 174 174 SER HB2 H 1 4.097 0.05 . 1 . . . . 153 S HB1 . 17111 1 1725 . 1 1 174 174 SER HB3 H 1 4.097 0.05 . 1 . . . . 153 S HB2 . 17111 1 1726 . 1 1 174 174 SER C C 13 177.778 0.4 . 1 . . . . 153 S C . 17111 1 1727 . 1 1 174 174 SER CA C 13 62.714 0.4 . 1 . . . . 153 S CA . 17111 1 1728 . 1 1 174 174 SER CB C 13 63.425 0.4 . 1 . . . . 153 S CB . 17111 1 1729 . 1 1 174 174 SER N N 15 115.771 0.4 . 1 . . . . 153 S N . 17111 1 1730 . 1 1 175 175 ARG H H 1 7.639 0.05 . 1 . . . . 154 R HN . 17111 1 1731 . 1 1 175 175 ARG HA H 1 4.093 0.05 . 1 . . . . 154 R HA . 17111 1 1732 . 1 1 175 175 ARG HB2 H 1 1.629 0.05 . 1 . . . . 154 R HB1 . 17111 1 1733 . 1 1 175 175 ARG HB3 H 1 1.977 0.05 . 1 . . . . 154 R HB2 . 17111 1 1734 . 1 1 175 175 ARG HD2 H 1 3.244 0.05 . 1 . . . . 154 R HD1 . 17111 1 1735 . 1 1 175 175 ARG HD3 H 1 3.244 0.05 . 1 . . . . 154 R HD2 . 17111 1 1736 . 1 1 175 175 ARG C C 13 176.391 0.4 . 1 . . . . 154 R C . 17111 1 1737 . 1 1 175 175 ARG CA C 13 58.147 0.4 . 1 . . . . 154 R CA . 17111 1 1738 . 1 1 175 175 ARG CB C 13 29.858 0.4 . 1 . . . . 154 R CB . 17111 1 1739 . 1 1 175 175 ARG CD C 13 43.508 0.4 . 1 . . . . 154 R CD . 17111 1 1740 . 1 1 175 175 ARG CG C 13 27.213 0.4 . 1 . . . . 154 R CG . 17111 1 1741 . 1 1 175 175 ARG N N 15 119.765 0.4 . 1 . . . . 154 R N . 17111 1 1742 . 1 1 176 176 HIS H H 1 8.301 0.05 . 1 . . . . 155 H HN . 17111 1 1743 . 1 1 176 176 HIS HA H 1 3.914 0.05 . 1 . . . . 155 H HA . 17111 1 1744 . 1 1 176 176 HIS HB2 H 1 2.445 0.05 . 1 . . . . 155 H HB1 . 17111 1 1745 . 1 1 176 176 HIS HB3 H 1 2.992 0.05 . 1 . . . . 155 H HB2 . 17111 1 1746 . 1 1 176 176 HIS C C 13 178.947 0.4 . 1 . . . . 155 H C . 17111 1 1747 . 1 1 176 176 HIS CA C 13 60.090 0.4 . 1 . . . . 155 H CA . 17111 1 1748 . 1 1 176 176 HIS CB C 13 29.880 0.4 . 1 . . . . 155 H CB . 17111 1 1749 . 1 1 176 176 HIS N N 15 118.443 0.4 . 1 . . . . 155 H N . 17111 1 1750 . 1 1 177 177 PHE H H 1 7.631 0.05 . 1 . . . . 156 F HN . 17111 1 1751 . 1 1 177 177 PHE HA H 1 4.363 0.05 . 1 . . . . 156 F HA . 17111 1 1752 . 1 1 177 177 PHE HB2 H 1 3.262 0.05 . 1 . . . . 156 F HB1 . 17111 1 1753 . 1 1 177 177 PHE HB3 H 1 2.358 0.05 . 1 . . . . 156 F HB2 . 17111 1 1754 . 1 1 177 177 PHE HD1 H 1 7.277 0.05 . 1 . . . . 156 F HD# . 17111 1 1755 . 1 1 177 177 PHE HD2 H 1 7.277 0.05 . 1 . . . . 156 F HD# . 17111 1 1756 . 1 1 177 177 PHE HE1 H 1 7.273 0.05 . 1 . . . . 156 F HE# . 17111 1 1757 . 1 1 177 177 PHE HE2 H 1 7.273 0.05 . 1 . . . . 156 F HE# . 17111 1 1758 . 1 1 177 177 PHE C C 13 177.041 0.4 . 1 . . . . 156 F C . 17111 1 1759 . 1 1 177 177 PHE CA C 13 58.257 0.4 . 1 . . . . 156 F CA . 17111 1 1760 . 1 1 177 177 PHE CB C 13 40.067 0.4 . 1 . . . . 156 F CB . 17111 1 1761 . 1 1 177 177 PHE N N 15 111.821 0.4 . 1 . . . . 156 F N . 17111 1 1762 . 1 1 178 178 SER H H 1 7.771 0.05 . 1 . . . . 157 S HN . 17111 1 1763 . 1 1 178 178 SER HA H 1 4.077 0.05 . 1 . . . . 157 S HA . 17111 1 1764 . 1 1 178 178 SER HB2 H 1 3.913 0.05 . 1 . . . . 157 S HB1 . 17111 1 1765 . 1 1 178 178 SER HB3 H 1 3.913 0.05 . 1 . . . . 157 S HB2 . 17111 1 1766 . 1 1 178 178 SER C C 13 173.688 0.4 . 1 . . . . 157 S C . 17111 1 1767 . 1 1 178 178 SER CA C 13 58.823 0.4 . 1 . . . . 157 S CA . 17111 1 1768 . 1 1 178 178 SER CB C 13 61.279 0.4 . 1 . . . . 157 S CB . 17111 1 1769 . 1 1 178 178 SER N N 15 115.624 0.4 . 1 . . . . 157 S N . 17111 1 1770 . 1 1 179 179 ILE H H 1 8.024 0.05 . 1 . . . . 158 I HN . 17111 1 1771 . 1 1 179 179 ILE HA H 1 4.735 0.05 . 1 . . . . 158 I HA . 17111 1 1772 . 1 1 179 179 ILE HB H 1 1.728 0.05 . 1 . . . . 158 I HB . 17111 1 1773 . 1 1 179 179 ILE HD11 H 1 0.641 0.05 . 1 . . . . 158 I HD11 . 17111 1 1774 . 1 1 179 179 ILE HD12 H 1 0.641 0.05 . 1 . . . . 158 I HD12 . 17111 1 1775 . 1 1 179 179 ILE HD13 H 1 0.641 0.05 . 1 . . . . 158 I HD13 . 17111 1 1776 . 1 1 179 179 ILE HG12 H 1 0.980 0.05 . 1 . . . . 158 I HG11 . 17111 1 1777 . 1 1 179 179 ILE HG13 H 1 1.165 0.05 . 1 . . . . 158 I HG12 . 17111 1 1778 . 1 1 179 179 ILE HG21 H 1 0.727 0.05 . 1 . . . . 158 I HG21 . 17111 1 1779 . 1 1 179 179 ILE HG22 H 1 0.727 0.05 . 1 . . . . 158 I HG22 . 17111 1 1780 . 1 1 179 179 ILE HG23 H 1 0.727 0.05 . 1 . . . . 158 I HG23 . 17111 1 1781 . 1 1 179 179 ILE C C 13 174.212 0.4 . 1 . . . . 158 I C . 17111 1 1782 . 1 1 179 179 ILE CA C 13 58.990 0.4 . 1 . . . . 158 I CA . 17111 1 1783 . 1 1 179 179 ILE CB C 13 41.998 0.4 . 1 . . . . 158 I CB . 17111 1 1784 . 1 1 179 179 ILE CD1 C 13 15.412 0.4 . 1 . . . . 158 I CD1 . 17111 1 1785 . 1 1 179 179 ILE CG2 C 13 16.935 0.4 . 1 . . . . 158 I CG2 . 17111 1 1786 . 1 1 179 179 ILE N N 15 111.468 0.4 . 1 . . . . 158 I N . 17111 1 1787 . 1 1 180 180 GLN H H 1 8.634 0.05 . 1 . . . . 159 Q HN . 17111 1 1788 . 1 1 180 180 GLN HA H 1 4.547 0.05 . 1 . . . . 159 Q HA . 17111 1 1789 . 1 1 180 180 GLN HB2 H 1 1.891 0.05 . 1 . . . . 159 Q HB1 . 17111 1 1790 . 1 1 180 180 GLN HB3 H 1 1.891 0.05 . 1 . . . . 159 Q HB2 . 17111 1 1791 . 1 1 180 180 GLN HG2 H 1 2.264 0.05 . 1 . . . . 159 Q HG1 . 17111 1 1792 . 1 1 180 180 GLN HG3 H 1 2.264 0.05 . 1 . . . . 159 Q HG2 . 17111 1 1793 . 1 1 180 180 GLN C C 13 174.420 0.4 . 1 . . . . 159 Q C . 17111 1 1794 . 1 1 180 180 GLN CA C 13 55.055 0.4 . 1 . . . . 159 Q CA . 17111 1 1795 . 1 1 180 180 GLN CB C 13 29.186 0.4 . 1 . . . . 159 Q CB . 17111 1 1796 . 1 1 180 180 GLN CG C 13 33.535 0.4 . 1 . . . . 159 Q CG . 17111 1 1797 . 1 1 180 180 GLN N N 15 120.065 0.4 . 1 . . . . 159 Q N . 17111 1 1798 . 1 1 181 181 LEU H H 1 7.989 0.05 . 1 . . . . 160 L HN . 17111 1 1799 . 1 1 181 181 LEU HA H 1 4.447 0.05 . 1 . . . . 160 L HA . 17111 1 1800 . 1 1 181 181 LEU HB2 H 1 1.414 0.05 . 1 . . . . 160 L HB1 . 17111 1 1801 . 1 1 181 181 LEU HB3 H 1 1.302 0.05 . 1 . . . . 160 L HB2 . 17111 1 1802 . 1 1 181 181 LEU HD11 H 1 0.637 0.05 . 1 . . . . 160 L HD11 . 17111 1 1803 . 1 1 181 181 LEU HD12 H 1 0.637 0.05 . 1 . . . . 160 L HD12 . 17111 1 1804 . 1 1 181 181 LEU HD13 H 1 0.637 0.05 . 1 . . . . 160 L HD13 . 17111 1 1805 . 1 1 181 181 LEU HD21 H 1 0.672 0.05 . 1 . . . . 160 L HD21 . 17111 1 1806 . 1 1 181 181 LEU HD22 H 1 0.672 0.05 . 1 . . . . 160 L HD22 . 17111 1 1807 . 1 1 181 181 LEU HD23 H 1 0.672 0.05 . 1 . . . . 160 L HD23 . 17111 1 1808 . 1 1 181 181 LEU HG H 1 1.372 0.05 . 1 . . . . 160 L HG . 17111 1 1809 . 1 1 181 181 LEU C C 13 174.910 0.4 . 1 . . . . 160 L C . 17111 1 1810 . 1 1 181 181 LEU CA C 13 53.935 0.4 . 1 . . . . 160 L CA . 17111 1 1811 . 1 1 181 181 LEU CB C 13 44.475 0.4 . 1 . . . . 160 L CB . 17111 1 1812 . 1 1 181 181 LEU CD1 C 13 24.408 0.4 . 1 . . . . 160 L CD1 . 17111 1 1813 . 1 1 181 181 LEU CD2 C 13 25.319 0.4 . 1 . . . . 160 L CD2 . 17111 1 1814 . 1 1 181 181 LEU N N 15 126.375 0.4 . 1 . . . . 160 L N . 17111 1 1815 . 1 1 182 182 ALA H H 1 8.576 0.05 . 1 . . . . 161 A HN . 17111 1 1816 . 1 1 182 182 ALA HA H 1 4.351 0.05 . 1 . . . . 161 A HA . 17111 1 1817 . 1 1 182 182 ALA HB1 H 1 1.569 0.05 . 1 . . . . 161 A HB1 . 17111 1 1818 . 1 1 182 182 ALA HB2 H 1 1.569 0.05 . 1 . . . . 161 A HB2 . 17111 1 1819 . 1 1 182 182 ALA HB3 H 1 1.569 0.05 . 1 . . . . 161 A HB3 . 17111 1 1820 . 1 1 182 182 ALA C C 13 174.999 0.4 . 1 . . . . 161 A C . 17111 1 1821 . 1 1 182 182 ALA CA C 13 51.696 0.4 . 1 . . . . 161 A CA . 17111 1 1822 . 1 1 182 182 ALA CB C 13 20.503 0.4 . 1 . . . . 161 A CB . 17111 1 1823 . 1 1 182 182 ALA N N 15 126.543 0.4 . 1 . . . . 161 A N . 17111 1 1824 . 1 1 183 183 ALA H H 1 8.576 0.05 . 1 . . . . 162 A HN . 17111 1 1825 . 1 1 183 183 ALA HA H 1 3.946 0.05 . 1 . . . . 162 A HA . 17111 1 1826 . 1 1 183 183 ALA HB1 H 1 1.528 0.05 . 1 . . . . 162 A HB1 . 17111 1 1827 . 1 1 183 183 ALA HB2 H 1 1.528 0.05 . 1 . . . . 162 A HB2 . 17111 1 1828 . 1 1 183 183 ALA HB3 H 1 1.528 0.05 . 1 . . . . 162 A HB3 . 17111 1 1829 . 1 1 183 183 ALA C C 13 177.745 0.4 . 1 . . . . 162 A C . 17111 1 1830 . 1 1 183 183 ALA CA C 13 55.137 0.4 . 1 . . . . 162 A CA . 17111 1 1831 . 1 1 183 183 ALA CB C 13 19.218 0.4 . 1 . . . . 162 A CB . 17111 1 1832 . 1 1 183 183 ALA N N 15 121.282 0.4 . 1 . . . . 162 A N . 17111 1 1833 . 1 1 184 184 ASP H H 1 7.931 0.05 . 1 . . . . 163 D HN . 17111 1 1834 . 1 1 184 184 ASP HA H 1 4.545 0.05 . 1 . . . . 163 D HA . 17111 1 1835 . 1 1 184 184 ASP HB2 H 1 2.664 0.05 . 1 . . . . 163 D HB1 . 17111 1 1836 . 1 1 184 184 ASP HB3 H 1 3.073 0.05 . 1 . . . . 163 D HB2 . 17111 1 1837 . 1 1 184 184 ASP C C 13 177.981 0.4 . 1 . . . . 163 D C . 17111 1 1838 . 1 1 184 184 ASP CA C 13 53.377 0.4 . 1 . . . . 163 D CA . 17111 1 1839 . 1 1 184 184 ASP CB C 13 39.373 0.4 . 1 . . . . 163 D CB . 17111 1 1840 . 1 1 184 184 ASP N N 15 111.265 0.4 . 1 . . . . 163 D N . 17111 1 1841 . 1 1 185 185 ALA H H 1 8.234 0.05 . 1 . . . . 164 A HN . 17111 1 1842 . 1 1 185 185 ALA HA H 1 4.337 0.05 . 1 . . . . 164 A HA . 17111 1 1843 . 1 1 185 185 ALA HB1 H 1 1.860 0.05 . 1 . . . . 164 A HB1 . 17111 1 1844 . 1 1 185 185 ALA HB2 H 1 1.860 0.05 . 1 . . . . 164 A HB2 . 17111 1 1845 . 1 1 185 185 ALA HB3 H 1 1.860 0.05 . 1 . . . . 164 A HB3 . 17111 1 1846 . 1 1 185 185 ALA C C 13 177.802 0.4 . 1 . . . . 164 A C . 17111 1 1847 . 1 1 185 185 ALA CA C 13 55.894 0.4 . 1 . . . . 164 A CA . 17111 1 1848 . 1 1 185 185 ALA CB C 13 19.261 0.4 . 1 . . . . 164 A CB . 17111 1 1849 . 1 1 185 185 ALA N N 15 124.809 0.4 . 1 . . . . 164 A N . 17111 1 1850 . 1 1 186 186 ILE H H 1 6.848 0.05 . 1 . . . . 165 I HN . 17111 1 1851 . 1 1 186 186 ILE HA H 1 4.245 0.05 . 1 . . . . 165 I HA . 17111 1 1852 . 1 1 186 186 ILE HB H 1 1.888 0.05 . 1 . . . . 165 I HB . 17111 1 1853 . 1 1 186 186 ILE HD11 H 1 0.554 0.05 . 1 . . . . 165 I HD11 . 17111 1 1854 . 1 1 186 186 ILE HD12 H 1 0.554 0.05 . 1 . . . . 165 I HD12 . 17111 1 1855 . 1 1 186 186 ILE HD13 H 1 0.554 0.05 . 1 . . . . 165 I HD13 . 17111 1 1856 . 1 1 186 186 ILE HG12 H 1 0.981 0.05 . 1 . . . . 165 I HG11 . 17111 1 1857 . 1 1 186 186 ILE HG13 H 1 0.982 0.05 . 1 . . . . 165 I HG12 . 17111 1 1858 . 1 1 186 186 ILE HG21 H 1 0.800 0.05 . 1 . . . . 165 I HG21 . 17111 1 1859 . 1 1 186 186 ILE HG22 H 1 0.800 0.05 . 1 . . . . 165 I HG22 . 17111 1 1860 . 1 1 186 186 ILE HG23 H 1 0.800 0.05 . 1 . . . . 165 I HG23 . 17111 1 1861 . 1 1 186 186 ILE C C 13 178.561 0.4 . 1 . . . . 165 I C . 17111 1 1862 . 1 1 186 186 ILE CA C 13 63.278 0.4 . 1 . . . . 165 I CA . 17111 1 1863 . 1 1 186 186 ILE CB C 13 37.980 0.4 . 1 . . . . 165 I CB . 17111 1 1864 . 1 1 186 186 ILE CD1 C 13 15.086 0.4 . 1 . . . . 165 I CD1 . 17111 1 1865 . 1 1 186 186 ILE CG1 C 13 25.394 0.4 . 1 . . . . 165 I CG1 . 17111 1 1866 . 1 1 186 186 ILE CG2 C 13 18.113 0.4 . 1 . . . . 165 I CG2 . 17111 1 1867 . 1 1 186 186 ILE N N 15 105.432 0.4 . 1 . . . . 165 I N . 17111 1 1868 . 1 1 187 187 TYR H H 1 7.555 0.05 . 1 . . . . 166 Y HN . 17111 1 1869 . 1 1 187 187 TYR HA H 1 4.564 0.05 . 1 . . . . 166 Y HA . 17111 1 1870 . 1 1 187 187 TYR HB2 H 1 2.923 0.05 . 1 . . . . 166 Y HB1 . 17111 1 1871 . 1 1 187 187 TYR HB3 H 1 3.151 0.05 . 1 . . . . 166 Y HB2 . 17111 1 1872 . 1 1 187 187 TYR HD1 H 1 7.107 0.05 . 1 . . . . 166 Y HD# . 17111 1 1873 . 1 1 187 187 TYR HD2 H 1 7.107 0.05 . 1 . . . . 166 Y HD# . 17111 1 1874 . 1 1 187 187 TYR C C 13 175.070 0.4 . 1 . . . . 166 Y C . 17111 1 1875 . 1 1 187 187 TYR CA C 13 58.331 0.4 . 1 . . . . 166 Y CA . 17111 1 1876 . 1 1 187 187 TYR CB C 13 38.242 0.4 . 1 . . . . 166 Y CB . 17111 1 1877 . 1 1 187 187 TYR N N 15 117.601 0.4 . 1 . . . . 166 Y N . 17111 1 1878 . 1 1 188 188 THR H H 1 7.467 0.05 . 1 . . . . 167 T HN . 17111 1 1879 . 1 1 188 188 THR HA H 1 3.540 0.05 . 1 . . . . 167 T HA . 17111 1 1880 . 1 1 188 188 THR HB H 1 2.951 0.05 . 1 . . . . 167 T HB . 17111 1 1881 . 1 1 188 188 THR HG21 H 1 -0.173 0.05 . 1 . . . . 167 T HG21 . 17111 1 1882 . 1 1 188 188 THR HG22 H 1 -0.173 0.05 . 1 . . . . 167 T HG22 . 17111 1 1883 . 1 1 188 188 THR HG23 H 1 -0.173 0.05 . 1 . . . . 167 T HG23 . 17111 1 1884 . 1 1 188 188 THR C C 13 177.101 0.4 . 1 . . . . 167 T C . 17111 1 1885 . 1 1 188 188 THR CA C 13 65.021 0.4 . 1 . . . . 167 T CA . 17111 1 1886 . 1 1 188 188 THR CB C 13 69.262 0.4 . 1 . . . . 167 T CB . 17111 1 1887 . 1 1 188 188 THR CG2 C 13 20.617 0.4 . 1 . . . . 167 T CG2 . 17111 1 1888 . 1 1 188 188 THR N N 15 117.847 0.4 . 1 . . . . 167 T N . 17111 1 1889 . 1 1 189 189 TRP H H 1 8.033 0.05 . 1 . . . . 168 W HN . 17111 1 1890 . 1 1 189 189 TRP HA H 1 4.918 0.05 . 1 . . . . 168 W HA . 17111 1 1891 . 1 1 189 189 TRP HB2 H 1 2.827 0.05 . 1 . . . . 168 W HB1 . 17111 1 1892 . 1 1 189 189 TRP HB3 H 1 2.976 0.05 . 1 . . . . 168 W HB2 . 17111 1 1893 . 1 1 189 189 TRP HD1 H 1 7.014 0.05 . 1 . . . . 168 W HD1 . 17111 1 1894 . 1 1 189 189 TRP HE1 H 1 9.899 0.05 . 1 . . . . 168 W HE1 . 17111 1 1895 . 1 1 189 189 TRP HZ2 H 1 7.275 0.05 . 1 . . . . 168 W HZ2 . 17111 1 1896 . 1 1 189 189 TRP HZ3 H 1 7.117 0.05 . 1 . . . . 168 W HZ3 . 17111 1 1897 . 1 1 189 189 TRP C C 13 173.860 0.4 . 1 . . . . 168 W C . 17111 1 1898 . 1 1 189 189 TRP CA C 13 57.081 0.4 . 1 . . . . 168 W CA . 17111 1 1899 . 1 1 189 189 TRP CB C 13 31.383 0.4 . 1 . . . . 168 W CB . 17111 1 1900 . 1 1 189 189 TRP N N 15 122.528 0.4 . 1 . . . . 168 W N . 17111 1 1901 . 1 1 189 189 TRP NE1 N 15 128.604 0.4 . 1 . . . . 168 W NE1 . 17111 1 1902 . 1 1 190 190 PRO HA H 1 5.044 0.05 . 1 . . . . 169 P HA . 17111 1 1903 . 1 1 190 190 PRO HB2 H 1 2.071 0.05 . 1 . . . . 169 P HB1 . 17111 1 1904 . 1 1 190 190 PRO HB3 H 1 2.350 0.05 . 1 . . . . 169 P HB2 . 17111 1 1905 . 1 1 190 190 PRO HD2 H 1 3.633 0.05 . 1 . . . . 169 P HD1 . 17111 1 1906 . 1 1 190 190 PRO HD3 H 1 3.354 0.05 . 1 . . . . 169 P HD2 . 17111 1 1907 . 1 1 190 190 PRO HG2 H 1 1.813 0.05 . 1 . . . . 169 P HG1 . 17111 1 1908 . 1 1 190 190 PRO HG3 H 1 1.813 0.05 . 1 . . . . 169 P HG2 . 17111 1 1909 . 1 1 190 190 PRO CA C 13 65.316 0.4 . 1 . . . . 169 P CA . 17111 1 1910 . 1 1 190 190 PRO CB C 13 32.882 0.4 . 1 . . . . 169 P CB . 17111 1 1911 . 1 1 190 190 PRO CG C 13 26.868 0.4 . 1 . . . . 169 P CG . 17111 1 1912 . 1 1 191 191 THR H H 1 7.147 0.05 . 1 . . . . 170 T HN . 17111 1 1913 . 1 1 191 191 THR HA H 1 4.394 0.05 . 1 . . . . 170 T HA . 17111 1 1914 . 1 1 191 191 THR HB H 1 4.369 0.05 . 1 . . . . 170 T HB . 17111 1 1915 . 1 1 191 191 THR HG21 H 1 0.886 0.05 . 1 . . . . 170 T HG21 . 17111 1 1916 . 1 1 191 191 THR HG22 H 1 0.886 0.05 . 1 . . . . 170 T HG22 . 17111 1 1917 . 1 1 191 191 THR HG23 H 1 0.886 0.05 . 1 . . . . 170 T HG23 . 17111 1 1918 . 1 1 191 191 THR C C 13 176.545 0.4 . 1 . . . . 170 T C . 17111 1 1919 . 1 1 191 191 THR CA C 13 57.840 0.4 . 1 . . . . 170 T CA . 17111 1 1920 . 1 1 191 191 THR CB C 13 73.167 0.4 . 1 . . . . 170 T CB . 17111 1 1921 . 1 1 191 191 THR CG2 C 13 19.500 0.4 . 1 . . . . 170 T CG2 . 17111 1 1922 . 1 1 191 191 THR N N 15 108.061 0.4 . 1 . . . . 170 T N . 17111 1 1923 . 1 1 192 192 LEU H H 1 8.691 0.05 . 1 . . . . 171 L HN . 17111 1 1924 . 1 1 192 192 LEU HA H 1 4.098 0.05 . 1 . . . . 171 L HA . 17111 1 1925 . 1 1 192 192 LEU HB2 H 1 1.616 0.05 . 1 . . . . 171 L HB1 . 17111 1 1926 . 1 1 192 192 LEU HB3 H 1 1.886 0.05 . 1 . . . . 171 L HB2 . 17111 1 1927 . 1 1 192 192 LEU HD11 H 1 0.888 0.05 . 1 . . . . 171 L HD11 . 17111 1 1928 . 1 1 192 192 LEU HD12 H 1 0.888 0.05 . 1 . . . . 171 L HD12 . 17111 1 1929 . 1 1 192 192 LEU HD13 H 1 0.888 0.05 . 1 . . . . 171 L HD13 . 17111 1 1930 . 1 1 192 192 LEU HD21 H 1 1.070 0.05 . 1 . . . . 171 L HD21 . 17111 1 1931 . 1 1 192 192 LEU HD22 H 1 1.070 0.05 . 1 . . . . 171 L HD22 . 17111 1 1932 . 1 1 192 192 LEU HD23 H 1 1.070 0.05 . 1 . . . . 171 L HD23 . 17111 1 1933 . 1 1 192 192 LEU CA C 13 59.410 0.4 . 1 . . . . 171 L CA . 17111 1 1934 . 1 1 192 192 LEU CB C 13 42.670 0.4 . 1 . . . . 171 L CB . 17111 1 1935 . 1 1 192 192 LEU N N 15 122.990 0.4 . 1 . . . . 171 L N . 17111 1 1936 . 1 1 193 193 LYS H H 1 8.356 0.05 . 1 . . . . 172 K HN . 17111 1 1937 . 1 1 193 193 LYS HA H 1 3.950 0.05 . 1 . . . . 172 K HA . 17111 1 1938 . 1 1 193 193 LYS HB2 H 1 1.805 0.05 . 1 . . . . 172 K HB1 . 17111 1 1939 . 1 1 193 193 LYS HB3 H 1 1.805 0.05 . 1 . . . . 172 K HB2 . 17111 1 1940 . 1 1 193 193 LYS HD2 H 1 1.621 0.05 . 1 . . . . 172 K HD1 . 17111 1 1941 . 1 1 193 193 LYS HD3 H 1 1.619 0.05 . 1 . . . . 172 K HD2 . 17111 1 1942 . 1 1 193 193 LYS HG2 H 1 1.348 0.05 . 1 . . . . 172 K HG1 . 17111 1 1943 . 1 1 193 193 LYS HG3 H 1 1.353 0.05 . 1 . . . . 172 K HG2 . 17111 1 1944 . 1 1 193 193 LYS C C 13 178.450 0.4 . 1 . . . . 172 K C . 17111 1 1945 . 1 1 193 193 LYS CA C 13 59.322 0.4 . 1 . . . . 172 K CA . 17111 1 1946 . 1 1 193 193 LYS CB C 13 32.911 0.4 . 1 . . . . 172 K CB . 17111 1 1947 . 1 1 193 193 LYS N N 15 117.205 0.4 . 1 . . . . 172 K N . 17111 1 1948 . 1 1 194 194 SER H H 1 7.853 0.05 . 1 . . . . 173 S HN . 17111 1 1949 . 1 1 194 194 SER HA H 1 4.271 0.05 . 1 . . . . 173 S HA . 17111 1 1950 . 1 1 194 194 SER HB2 H 1 4.075 0.05 . 1 . . . . 173 S HB1 . 17111 1 1951 . 1 1 194 194 SER HB3 H 1 4.091 0.05 . 1 . . . . 173 S HB2 . 17111 1 1952 . 1 1 194 194 SER C C 13 177.788 0.4 . 1 . . . . 173 S C . 17111 1 1953 . 1 1 194 194 SER CA C 13 61.302 0.4 . 1 . . . . 173 S CA . 17111 1 1954 . 1 1 194 194 SER CB C 13 63.575 0.4 . 1 . . . . 173 S CB . 17111 1 1955 . 1 1 194 194 SER N N 15 113.500 0.4 . 1 . . . . 173 S N . 17111 1 1956 . 1 1 195 195 LEU H H 1 8.882 0.05 . 1 . . . . 174 L HN . 17111 1 1957 . 1 1 195 195 LEU HA H 1 4.093 0.05 . 1 . . . . 174 L HA . 17111 1 1958 . 1 1 195 195 LEU HB2 H 1 2.057 0.05 . 1 . . . . 174 L HB1 . 17111 1 1959 . 1 1 195 195 LEU HB3 H 1 2.334 0.05 . 1 . . . . 174 L HB2 . 17111 1 1960 . 1 1 195 195 LEU HD11 H 1 0.694 0.05 . 1 . . . . 174 L HD11 . 17111 1 1961 . 1 1 195 195 LEU HD12 H 1 0.694 0.05 . 1 . . . . 174 L HD12 . 17111 1 1962 . 1 1 195 195 LEU HD13 H 1 0.694 0.05 . 1 . . . . 174 L HD13 . 17111 1 1963 . 1 1 195 195 LEU HD21 H 1 0.887 0.05 . 1 . . . . 174 L HD21 . 17111 1 1964 . 1 1 195 195 LEU HD22 H 1 0.887 0.05 . 1 . . . . 174 L HD22 . 17111 1 1965 . 1 1 195 195 LEU HD23 H 1 0.887 0.05 . 1 . . . . 174 L HD23 . 17111 1 1966 . 1 1 195 195 LEU HG H 1 1.428 0.05 . 1 . . . . 174 L HG . 17111 1 1967 . 1 1 195 195 LEU C C 13 178.095 0.4 . 1 . . . . 174 L C . 17111 1 1968 . 1 1 195 195 LEU CA C 13 57.798 0.4 . 1 . . . . 174 L CA . 17111 1 1969 . 1 1 195 195 LEU CB C 13 41.086 0.4 . 1 . . . . 174 L CB . 17111 1 1970 . 1 1 195 195 LEU N N 15 124.589 0.4 . 1 . . . . 174 L N . 17111 1 1971 . 1 1 196 196 ALA H H 1 8.690 0.05 . 1 . . . . 175 A HN . 17111 1 1972 . 1 1 196 196 ALA HA H 1 3.658 0.05 . 1 . . . . 175 A HA . 17111 1 1973 . 1 1 196 196 ALA HB1 H 1 1.438 0.05 . 1 . . . . 175 A HB1 . 17111 1 1974 . 1 1 196 196 ALA HB2 H 1 1.438 0.05 . 1 . . . . 175 A HB2 . 17111 1 1975 . 1 1 196 196 ALA HB3 H 1 1.438 0.05 . 1 . . . . 175 A HB3 . 17111 1 1976 . 1 1 196 196 ALA C C 13 178.332 0.4 . 1 . . . . 175 A C . 17111 1 1977 . 1 1 196 196 ALA CA C 13 55.597 0.4 . 1 . . . . 175 A CA . 17111 1 1978 . 1 1 196 196 ALA CB C 13 18.312 0.4 . 1 . . . . 175 A CB . 17111 1 1979 . 1 1 196 196 ALA N N 15 121.008 0.4 . 1 . . . . 175 A N . 17111 1 1980 . 1 1 197 197 ASP H H 1 7.918 0.05 . 1 . . . . 176 D HN . 17111 1 1981 . 1 1 197 197 ASP HA H 1 4.273 0.05 . 1 . . . . 176 D HA . 17111 1 1982 . 1 1 197 197 ASP HB2 H 1 2.596 0.05 . 1 . . . . 176 D HB1 . 17111 1 1983 . 1 1 197 197 ASP HB3 H 1 2.896 0.05 . 1 . . . . 176 D HB2 . 17111 1 1984 . 1 1 197 197 ASP C C 13 179.310 0.4 . 1 . . . . 176 D C . 17111 1 1985 . 1 1 197 197 ASP CA C 13 57.035 0.4 . 1 . . . . 176 D CA . 17111 1 1986 . 1 1 197 197 ASP CB C 13 39.748 0.4 . 1 . . . . 176 D CB . 17111 1 1987 . 1 1 197 197 ASP N N 15 117.189 0.4 . 1 . . . . 176 D N . 17111 1 1988 . 1 1 198 198 GLU H H 1 7.250 0.05 . 1 . . . . 177 E HN . 17111 1 1989 . 1 1 198 198 GLU HA H 1 4.105 0.05 . 1 . . . . 177 E HA . 17111 1 1990 . 1 1 198 198 GLU C C 13 178.499 0.4 . 1 . . . . 177 E C . 17111 1 1991 . 1 1 198 198 GLU CA C 13 58.147 0.4 . 1 . . . . 177 E CA . 17111 1 1992 . 1 1 198 198 GLU CB C 13 27.200 0.4 . 1 . . . . 177 E CB . 17111 1 1993 . 1 1 198 198 GLU N N 15 122.750 0.4 . 1 . . . . 177 E N . 17111 1 1994 . 1 1 199 199 VAL H H 1 8.644 0.05 . 1 . . . . 178 V HN . 17111 1 1995 . 1 1 199 199 VAL HA H 1 2.929 0.05 . 1 . . . . 178 V HA . 17111 1 1996 . 1 1 199 199 VAL HB H 1 1.736 0.05 . 1 . . . . 178 V HB . 17111 1 1997 . 1 1 199 199 VAL HG11 H 1 0.592 0.05 . 1 . . . . 178 V HG11 . 17111 1 1998 . 1 1 199 199 VAL HG12 H 1 0.592 0.05 . 1 . . . . 178 V HG12 . 17111 1 1999 . 1 1 199 199 VAL HG13 H 1 0.592 0.05 . 1 . . . . 178 V HG13 . 17111 1 2000 . 1 1 199 199 VAL HG21 H 1 -0.024 0.05 . 1 . . . . 178 V HG21 . 17111 1 2001 . 1 1 199 199 VAL HG22 H 1 -0.024 0.05 . 1 . . . . 178 V HG22 . 17111 1 2002 . 1 1 199 199 VAL HG23 H 1 -0.024 0.05 . 1 . . . . 178 V HG23 . 17111 1 2003 . 1 1 199 199 VAL C C 13 177.950 0.4 . 1 . . . . 178 V C . 17111 1 2004 . 1 1 199 199 VAL CA C 13 67.253 0.4 . 1 . . . . 178 V CA . 17111 1 2005 . 1 1 199 199 VAL CB C 13 30.571 0.4 . 1 . . . . 178 V CB . 17111 1 2006 . 1 1 199 199 VAL CG1 C 13 23.059 0.4 . 1 . . . . 178 V CG1 . 17111 1 2007 . 1 1 199 199 VAL CG2 C 13 21.146 0.4 . 1 . . . . 178 V CG2 . 17111 1 2008 . 1 1 199 199 VAL N N 15 120.679 0.4 . 1 . . . . 178 V N . 17111 1 2009 . 1 1 200 200 ASP H H 1 8.167 0.05 . 1 . . . . 179 D HN . 17111 1 2010 . 1 1 200 200 ASP HA H 1 3.966 0.05 . 1 . . . . 179 D HA . 17111 1 2011 . 1 1 200 200 ASP HB2 H 1 2.539 0.05 . 1 . . . . 179 D HB1 . 17111 1 2012 . 1 1 200 200 ASP HB3 H 1 2.701 0.05 . 1 . . . . 179 D HB2 . 17111 1 2013 . 1 1 200 200 ASP C C 13 177.013 0.4 . 1 . . . . 179 D C . 17111 1 2014 . 1 1 200 200 ASP CA C 13 57.958 0.4 . 1 . . . . 179 D CA . 17111 1 2015 . 1 1 200 200 ASP CB C 13 42.919 0.4 . 1 . . . . 179 D CB . 17111 1 2016 . 1 1 200 200 ASP N N 15 117.695 0.4 . 1 . . . . 179 D N . 17111 1 2017 . 1 1 201 201 ARG H H 1 7.655 0.05 . 1 . . . . 180 R HN . 17111 1 2018 . 1 1 201 201 ARG HA H 1 3.731 0.05 . 1 . . . . 180 R HA . 17111 1 2019 . 1 1 201 201 ARG HB2 H 1 1.892 0.05 . 1 . . . . 180 R HB1 . 17111 1 2020 . 1 1 201 201 ARG HB3 H 1 1.892 0.05 . 1 . . . . 180 R HB2 . 17111 1 2021 . 1 1 201 201 ARG C C 13 177.237 0.4 . 1 . . . . 180 R C . 17111 1 2022 . 1 1 201 201 ARG CA C 13 59.905 0.4 . 1 . . . . 180 R CA . 17111 1 2023 . 1 1 201 201 ARG CB C 13 30.871 0.4 . 1 . . . . 180 R CB . 17111 1 2024 . 1 1 201 201 ARG CG C 13 28.083 0.4 . 1 . . . . 180 R CG . 17111 1 2025 . 1 1 201 201 ARG N N 15 118.453 0.4 . 1 . . . . 180 R N . 17111 1 2026 . 1 1 202 202 ARG H H 1 8.117 0.05 . 1 . . . . 181 R HN . 17111 1 2027 . 1 1 202 202 ARG HA H 1 3.894 0.05 . 1 . . . . 181 R HA . 17111 1 2028 . 1 1 202 202 ARG HB2 H 1 1.721 0.05 . 1 . . . . 181 R HB1 . 17111 1 2029 . 1 1 202 202 ARG HB3 H 1 1.890 0.05 . 1 . . . . 181 R HB2 . 17111 1 2030 . 1 1 202 202 ARG HD2 H 1 3.315 0.05 . 1 . . . . 181 R HD1 . 17111 1 2031 . 1 1 202 202 ARG HD3 H 1 3.315 0.05 . 1 . . . . 181 R HD2 . 17111 1 2032 . 1 1 202 202 ARG C C 13 179.503 0.4 . 1 . . . . 181 R C . 17111 1 2033 . 1 1 202 202 ARG CA C 13 59.360 0.4 . 1 . . . . 181 R CA . 17111 1 2034 . 1 1 202 202 ARG CB C 13 30.133 0.4 . 1 . . . . 181 R CB . 17111 1 2035 . 1 1 202 202 ARG CG C 13 28.174 0.4 . 1 . . . . 181 R CG . 17111 1 2036 . 1 1 202 202 ARG N N 15 117.601 0.4 . 1 . . . . 181 R N . 17111 1 2037 . 1 1 203 203 VAL H H 1 8.850 0.05 . 1 . . . . 182 V HN . 17111 1 2038 . 1 1 203 203 VAL HA H 1 3.453 0.05 . 1 . . . . 182 V HA . 17111 1 2039 . 1 1 203 203 VAL HB H 1 2.100 0.05 . 1 . . . . 182 V HB . 17111 1 2040 . 1 1 203 203 VAL HG11 H 1 0.848 0.05 . 1 . . . . 182 V HG11 . 17111 1 2041 . 1 1 203 203 VAL HG12 H 1 0.848 0.05 . 1 . . . . 182 V HG12 . 17111 1 2042 . 1 1 203 203 VAL HG13 H 1 0.848 0.05 . 1 . . . . 182 V HG13 . 17111 1 2043 . 1 1 203 203 VAL HG21 H 1 0.859 0.05 . 1 . . . . 182 V HG21 . 17111 1 2044 . 1 1 203 203 VAL HG22 H 1 0.859 0.05 . 1 . . . . 182 V HG22 . 17111 1 2045 . 1 1 203 203 VAL HG23 H 1 0.859 0.05 . 1 . . . . 182 V HG23 . 17111 1 2046 . 1 1 203 203 VAL C C 13 179.038 0.4 . 1 . . . . 182 V C . 17111 1 2047 . 1 1 203 203 VAL CA C 13 66.582 0.4 . 1 . . . . 182 V CA . 17111 1 2048 . 1 1 203 203 VAL CB C 13 31.569 0.4 . 1 . . . . 182 V CB . 17111 1 2049 . 1 1 203 203 VAL CG1 C 13 22.025 0.4 . 1 . . . . 182 V CG1 . 17111 1 2050 . 1 1 203 203 VAL CG2 C 13 22.800 0.4 . 1 . . . . 182 V CG2 . 17111 1 2051 . 1 1 203 203 VAL N N 15 121.344 0.4 . 1 . . . . 182 V N . 17111 1 2052 . 1 1 204 204 GLN H H 1 8.112 0.05 . 1 . . . . 183 Q HN . 17111 1 2053 . 1 1 204 204 GLN HA H 1 3.995 0.05 . 1 . . . . 183 Q HA . 17111 1 2054 . 1 1 204 204 GLN HB2 H 1 2.067 0.05 . 1 . . . . 183 Q HB1 . 17111 1 2055 . 1 1 204 204 GLN HB3 H 1 1.719 0.05 . 1 . . . . 183 Q HB2 . 17111 1 2056 . 1 1 204 204 GLN HG2 H 1 2.373 0.05 . 1 . . . . 183 Q HG1 . 17111 1 2057 . 1 1 204 204 GLN HG3 H 1 2.373 0.05 . 1 . . . . 183 Q HG2 . 17111 1 2058 . 1 1 204 204 GLN C C 13 178.523 0.4 . 1 . . . . 183 Q C . 17111 1 2059 . 1 1 204 204 GLN CA C 13 58.408 0.4 . 1 . . . . 183 Q CA . 17111 1 2060 . 1 1 204 204 GLN CB C 13 28.638 0.4 . 1 . . . . 183 Q CB . 17111 1 2061 . 1 1 204 204 GLN N N 15 117.900 0.4 . 1 . . . . 183 Q N . 17111 1 stop_ save_