data_11177 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11177 _Entry.Title ; Backbone chemical shift assignments for Thermus thermophilus RecO ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-08 _Entry.Accession_date 2010-07-08 _Entry.Last_release_date 2011-06-03 _Entry.Original_release_date 2011-06-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Jin Inoue . . . 11177 2 Takayuki Nagae . . . 11177 3 Masaki Mishima . . . 11177 4 Yutaka Ito . . . 11177 5 Takehiko Shibata . . . 11177 6 Tsutomu Mikawa . . . 11177 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Dept. of Chem,, Tokyo Metropolitan Univ.' . 11177 . . 'RIKEN SPring-8 center' . 11177 . . 'Grad. School of Nanobioscience, Yokohama City Univ.' . 11177 1 . 'RIKEN Adv. Sci. Inst.' . 11177 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11177 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 189 11177 '1H chemical shifts' 189 11177 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 . . 2011-06-03 2010-07-08 original author . 11177 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11177 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21169364 _Citation.Full_citation . _Citation.Title 'A mechanism for single-stranded DNA-binding protein (SSB) displacement from single-stranded DNA upon SSB-RecO interaction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 8 _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 6720 _Citation.Page_last 6732 _Citation.Year 2011 _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 Jin Inoue . . . 11177 1 2 Takayuki Nagae . . . 11177 1 3 Masaki Mishima . . . 11177 1 4 Yutaka Ito . . . 11177 1 5 Takehiko Shibata . . . 11177 1 6 Tsutomu Mikawa . . . 11177 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11177 _Assembly.ID 1 _Assembly.Name RecO _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 RecO 1 $RecO A . yes native no no . . . 11177 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RecO _Entity.Sf_category entity _Entity.Sf_framecode RecO _Entity.Entry_ID 11177 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RecO _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPAYTGKVERYRLEEGIVV GRKPLPQGDLLLRLVTPRGS LEAVVRKGQRPTGRTGRLSL FHHVRFQLYAKGEGLPTLTQ AELLGRLHGLEAPRRFLLAA FLAELAYRLASPEAAPRIYP LLVSGLRGIAKHEDPLLPLV WAGWRVAKAGGIGPNLEGEG LRLKRGRLGEEGVYLGREGV EALKATLRLPGAQALPHLEG APLNRLFLALKAHAEEALGP LRSAEAIGV ; _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 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 11047 . ttRecO . . . . . 100.00 229 100.00 100.00 2.58e-151 . . . . 11177 1 2 no DBJ BAD70446 . "DNA repair protein RecO [Thermus thermophilus HB8]" . . . . . 100.00 229 100.00 100.00 2.58e-151 . . . . 11177 1 3 no GB AAS80606 . "hypothetical conserved protein [Thermus thermophilus HB27]" . . . . . 100.00 291 98.69 99.56 1.02e-149 . . . . 11177 1 4 no GB AEG33049 . "DNA repair protein RecO [Thermus thermophilus SG0.5JP17-16]" . . . . . 96.51 221 98.64 99.55 2.23e-142 . . . . 11177 1 5 no GB AFH39328 . "recombinational DNA repair protein (RecF pathway) [Thermus thermophilus JL-18]" . . . . . 96.51 221 98.64 99.55 5.94e-143 . . . . 11177 1 6 no GB EIA39541 . "hypothetical protein RLTM_04716 [Thermus sp. RL]" . . . . . 95.63 221 98.17 99.54 4.70e-141 . . . . 11177 1 7 no REF WP_008632002 . "DNA repair protein RecO [Thermus sp. RL]" . . . . . 95.63 221 98.17 99.54 4.70e-141 . . . . 11177 1 8 no REF WP_011228077 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 100.00 229 100.00 100.00 2.58e-151 . . . . 11177 1 9 no REF WP_014510042 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 96.51 221 98.64 99.55 2.23e-142 . . . . 11177 1 10 no REF WP_014629934 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 96.51 221 98.64 99.55 5.94e-143 . . . . 11177 1 11 no REF WP_024119227 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 96.51 221 98.64 99.55 5.74e-143 . . . . 11177 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 11177 1 2 . ALA . 11177 1 3 . PRO . 11177 1 4 . ALA . 11177 1 5 . TYR . 11177 1 6 . THR . 11177 1 7 . GLY . 11177 1 8 . LYS . 11177 1 9 . VAL . 11177 1 10 . GLU . 11177 1 11 . ARG . 11177 1 12 . TYR . 11177 1 13 . ARG . 11177 1 14 . LEU . 11177 1 15 . GLU . 11177 1 16 . GLU . 11177 1 17 . GLY . 11177 1 18 . ILE . 11177 1 19 . VAL . 11177 1 20 . VAL . 11177 1 21 . GLY . 11177 1 22 . ARG . 11177 1 23 . LYS . 11177 1 24 . PRO . 11177 1 25 . LEU . 11177 1 26 . PRO . 11177 1 27 . GLN . 11177 1 28 . GLY . 11177 1 29 . ASP . 11177 1 30 . LEU . 11177 1 31 . LEU . 11177 1 32 . LEU . 11177 1 33 . ARG . 11177 1 34 . LEU . 11177 1 35 . VAL . 11177 1 36 . THR . 11177 1 37 . PRO . 11177 1 38 . ARG . 11177 1 39 . GLY . 11177 1 40 . SER . 11177 1 41 . LEU . 11177 1 42 . GLU . 11177 1 43 . ALA . 11177 1 44 . VAL . 11177 1 45 . VAL . 11177 1 46 . ARG . 11177 1 47 . LYS . 11177 1 48 . GLY . 11177 1 49 . GLN . 11177 1 50 . ARG . 11177 1 51 . PRO . 11177 1 52 . THR . 11177 1 53 . GLY . 11177 1 54 . ARG . 11177 1 55 . THR . 11177 1 56 . GLY . 11177 1 57 . ARG . 11177 1 58 . LEU . 11177 1 59 . SER . 11177 1 60 . LEU . 11177 1 61 . PHE . 11177 1 62 . HIS . 11177 1 63 . HIS . 11177 1 64 . VAL . 11177 1 65 . ARG . 11177 1 66 . PHE . 11177 1 67 . GLN . 11177 1 68 . LEU . 11177 1 69 . TYR . 11177 1 70 . ALA . 11177 1 71 . LYS . 11177 1 72 . GLY . 11177 1 73 . GLU . 11177 1 74 . GLY . 11177 1 75 . LEU . 11177 1 76 . PRO . 11177 1 77 . THR . 11177 1 78 . LEU . 11177 1 79 . THR . 11177 1 80 . GLN . 11177 1 81 . ALA . 11177 1 82 . GLU . 11177 1 83 . LEU . 11177 1 84 . LEU . 11177 1 85 . GLY . 11177 1 86 . ARG . 11177 1 87 . LEU . 11177 1 88 . HIS . 11177 1 89 . GLY . 11177 1 90 . LEU . 11177 1 91 . GLU . 11177 1 92 . ALA . 11177 1 93 . PRO . 11177 1 94 . ARG . 11177 1 95 . ARG . 11177 1 96 . PHE . 11177 1 97 . LEU . 11177 1 98 . LEU . 11177 1 99 . ALA . 11177 1 100 . ALA . 11177 1 101 . PHE . 11177 1 102 . LEU . 11177 1 103 . ALA . 11177 1 104 . GLU . 11177 1 105 . LEU . 11177 1 106 . ALA . 11177 1 107 . TYR . 11177 1 108 . ARG . 11177 1 109 . LEU . 11177 1 110 . ALA . 11177 1 111 . SER . 11177 1 112 . PRO . 11177 1 113 . GLU . 11177 1 114 . ALA . 11177 1 115 . ALA . 11177 1 116 . PRO . 11177 1 117 . ARG . 11177 1 118 . ILE . 11177 1 119 . TYR . 11177 1 120 . PRO . 11177 1 121 . LEU . 11177 1 122 . LEU . 11177 1 123 . VAL . 11177 1 124 . SER . 11177 1 125 . GLY . 11177 1 126 . LEU . 11177 1 127 . ARG . 11177 1 128 . GLY . 11177 1 129 . ILE . 11177 1 130 . ALA . 11177 1 131 . LYS . 11177 1 132 . HIS . 11177 1 133 . GLU . 11177 1 134 . ASP . 11177 1 135 . PRO . 11177 1 136 . LEU . 11177 1 137 . LEU . 11177 1 138 . PRO . 11177 1 139 . LEU . 11177 1 140 . VAL . 11177 1 141 . TRP . 11177 1 142 . ALA . 11177 1 143 . GLY . 11177 1 144 . TRP . 11177 1 145 . ARG . 11177 1 146 . VAL . 11177 1 147 . ALA . 11177 1 148 . LYS . 11177 1 149 . ALA . 11177 1 150 . GLY . 11177 1 151 . GLY . 11177 1 152 . ILE . 11177 1 153 . GLY . 11177 1 154 . PRO . 11177 1 155 . ASN . 11177 1 156 . LEU . 11177 1 157 . GLU . 11177 1 158 . GLY . 11177 1 159 . GLU . 11177 1 160 . GLY . 11177 1 161 . LEU . 11177 1 162 . ARG . 11177 1 163 . LEU . 11177 1 164 . LYS . 11177 1 165 . ARG . 11177 1 166 . GLY . 11177 1 167 . ARG . 11177 1 168 . LEU . 11177 1 169 . GLY . 11177 1 170 . GLU . 11177 1 171 . GLU . 11177 1 172 . GLY . 11177 1 173 . VAL . 11177 1 174 . TYR . 11177 1 175 . LEU . 11177 1 176 . GLY . 11177 1 177 . ARG . 11177 1 178 . GLU . 11177 1 179 . GLY . 11177 1 180 . VAL . 11177 1 181 . GLU . 11177 1 182 . ALA . 11177 1 183 . LEU . 11177 1 184 . LYS . 11177 1 185 . ALA . 11177 1 186 . THR . 11177 1 187 . LEU . 11177 1 188 . ARG . 11177 1 189 . LEU . 11177 1 190 . PRO . 11177 1 191 . GLY . 11177 1 192 . ALA . 11177 1 193 . GLN . 11177 1 194 . ALA . 11177 1 195 . LEU . 11177 1 196 . PRO . 11177 1 197 . HIS . 11177 1 198 . LEU . 11177 1 199 . GLU . 11177 1 200 . GLY . 11177 1 201 . ALA . 11177 1 202 . PRO . 11177 1 203 . LEU . 11177 1 204 . ASN . 11177 1 205 . ARG . 11177 1 206 . LEU . 11177 1 207 . PHE . 11177 1 208 . LEU . 11177 1 209 . ALA . 11177 1 210 . LEU . 11177 1 211 . LYS . 11177 1 212 . ALA . 11177 1 213 . HIS . 11177 1 214 . ALA . 11177 1 215 . GLU . 11177 1 216 . GLU . 11177 1 217 . ALA . 11177 1 218 . LEU . 11177 1 219 . GLY . 11177 1 220 . PRO . 11177 1 221 . LEU . 11177 1 222 . ARG . 11177 1 223 . SER . 11177 1 224 . ALA . 11177 1 225 . GLU . 11177 1 226 . ALA . 11177 1 227 . ILE . 11177 1 228 . GLY . 11177 1 229 . VAL . 11177 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 11177 1 . ALA 2 2 11177 1 . PRO 3 3 11177 1 . ALA 4 4 11177 1 . TYR 5 5 11177 1 . THR 6 6 11177 1 . GLY 7 7 11177 1 . LYS 8 8 11177 1 . VAL 9 9 11177 1 . GLU 10 10 11177 1 . ARG 11 11 11177 1 . TYR 12 12 11177 1 . ARG 13 13 11177 1 . LEU 14 14 11177 1 . GLU 15 15 11177 1 . GLU 16 16 11177 1 . GLY 17 17 11177 1 . ILE 18 18 11177 1 . VAL 19 19 11177 1 . VAL 20 20 11177 1 . GLY 21 21 11177 1 . ARG 22 22 11177 1 . LYS 23 23 11177 1 . PRO 24 24 11177 1 . LEU 25 25 11177 1 . PRO 26 26 11177 1 . GLN 27 27 11177 1 . GLY 28 28 11177 1 . ASP 29 29 11177 1 . LEU 30 30 11177 1 . LEU 31 31 11177 1 . LEU 32 32 11177 1 . ARG 33 33 11177 1 . LEU 34 34 11177 1 . VAL 35 35 11177 1 . THR 36 36 11177 1 . PRO 37 37 11177 1 . ARG 38 38 11177 1 . GLY 39 39 11177 1 . SER 40 40 11177 1 . LEU 41 41 11177 1 . GLU 42 42 11177 1 . ALA 43 43 11177 1 . VAL 44 44 11177 1 . VAL 45 45 11177 1 . ARG 46 46 11177 1 . LYS 47 47 11177 1 . GLY 48 48 11177 1 . GLN 49 49 11177 1 . ARG 50 50 11177 1 . PRO 51 51 11177 1 . THR 52 52 11177 1 . GLY 53 53 11177 1 . ARG 54 54 11177 1 . THR 55 55 11177 1 . GLY 56 56 11177 1 . ARG 57 57 11177 1 . LEU 58 58 11177 1 . SER 59 59 11177 1 . LEU 60 60 11177 1 . PHE 61 61 11177 1 . HIS 62 62 11177 1 . HIS 63 63 11177 1 . VAL 64 64 11177 1 . ARG 65 65 11177 1 . PHE 66 66 11177 1 . GLN 67 67 11177 1 . LEU 68 68 11177 1 . TYR 69 69 11177 1 . ALA 70 70 11177 1 . LYS 71 71 11177 1 . GLY 72 72 11177 1 . GLU 73 73 11177 1 . GLY 74 74 11177 1 . LEU 75 75 11177 1 . PRO 76 76 11177 1 . THR 77 77 11177 1 . LEU 78 78 11177 1 . THR 79 79 11177 1 . GLN 80 80 11177 1 . ALA 81 81 11177 1 . GLU 82 82 11177 1 . LEU 83 83 11177 1 . LEU 84 84 11177 1 . GLY 85 85 11177 1 . ARG 86 86 11177 1 . LEU 87 87 11177 1 . HIS 88 88 11177 1 . GLY 89 89 11177 1 . LEU 90 90 11177 1 . GLU 91 91 11177 1 . ALA 92 92 11177 1 . PRO 93 93 11177 1 . ARG 94 94 11177 1 . ARG 95 95 11177 1 . PHE 96 96 11177 1 . LEU 97 97 11177 1 . LEU 98 98 11177 1 . ALA 99 99 11177 1 . ALA 100 100 11177 1 . PHE 101 101 11177 1 . LEU 102 102 11177 1 . ALA 103 103 11177 1 . GLU 104 104 11177 1 . LEU 105 105 11177 1 . ALA 106 106 11177 1 . TYR 107 107 11177 1 . ARG 108 108 11177 1 . LEU 109 109 11177 1 . ALA 110 110 11177 1 . SER 111 111 11177 1 . PRO 112 112 11177 1 . GLU 113 113 11177 1 . ALA 114 114 11177 1 . ALA 115 115 11177 1 . PRO 116 116 11177 1 . ARG 117 117 11177 1 . ILE 118 118 11177 1 . TYR 119 119 11177 1 . PRO 120 120 11177 1 . LEU 121 121 11177 1 . LEU 122 122 11177 1 . VAL 123 123 11177 1 . SER 124 124 11177 1 . GLY 125 125 11177 1 . LEU 126 126 11177 1 . ARG 127 127 11177 1 . GLY 128 128 11177 1 . ILE 129 129 11177 1 . ALA 130 130 11177 1 . LYS 131 131 11177 1 . HIS 132 132 11177 1 . GLU 133 133 11177 1 . ASP 134 134 11177 1 . PRO 135 135 11177 1 . LEU 136 136 11177 1 . LEU 137 137 11177 1 . PRO 138 138 11177 1 . LEU 139 139 11177 1 . VAL 140 140 11177 1 . TRP 141 141 11177 1 . ALA 142 142 11177 1 . GLY 143 143 11177 1 . TRP 144 144 11177 1 . ARG 145 145 11177 1 . VAL 146 146 11177 1 . ALA 147 147 11177 1 . LYS 148 148 11177 1 . ALA 149 149 11177 1 . GLY 150 150 11177 1 . GLY 151 151 11177 1 . ILE 152 152 11177 1 . GLY 153 153 11177 1 . PRO 154 154 11177 1 . ASN 155 155 11177 1 . LEU 156 156 11177 1 . GLU 157 157 11177 1 . GLY 158 158 11177 1 . GLU 159 159 11177 1 . GLY 160 160 11177 1 . LEU 161 161 11177 1 . ARG 162 162 11177 1 . LEU 163 163 11177 1 . LYS 164 164 11177 1 . ARG 165 165 11177 1 . GLY 166 166 11177 1 . ARG 167 167 11177 1 . LEU 168 168 11177 1 . GLY 169 169 11177 1 . GLU 170 170 11177 1 . GLU 171 171 11177 1 . GLY 172 172 11177 1 . VAL 173 173 11177 1 . TYR 174 174 11177 1 . LEU 175 175 11177 1 . GLY 176 176 11177 1 . ARG 177 177 11177 1 . GLU 178 178 11177 1 . GLY 179 179 11177 1 . VAL 180 180 11177 1 . GLU 181 181 11177 1 . ALA 182 182 11177 1 . LEU 183 183 11177 1 . LYS 184 184 11177 1 . ALA 185 185 11177 1 . THR 186 186 11177 1 . LEU 187 187 11177 1 . ARG 188 188 11177 1 . LEU 189 189 11177 1 . PRO 190 190 11177 1 . GLY 191 191 11177 1 . ALA 192 192 11177 1 . GLN 193 193 11177 1 . ALA 194 194 11177 1 . LEU 195 195 11177 1 . PRO 196 196 11177 1 . HIS 197 197 11177 1 . LEU 198 198 11177 1 . GLU 199 199 11177 1 . GLY 200 200 11177 1 . ALA 201 201 11177 1 . PRO 202 202 11177 1 . LEU 203 203 11177 1 . ASN 204 204 11177 1 . ARG 205 205 11177 1 . LEU 206 206 11177 1 . PHE 207 207 11177 1 . LEU 208 208 11177 1 . ALA 209 209 11177 1 . LEU 210 210 11177 1 . LYS 211 211 11177 1 . ALA 212 212 11177 1 . HIS 213 213 11177 1 . ALA 214 214 11177 1 . GLU 215 215 11177 1 . GLU 216 216 11177 1 . ALA 217 217 11177 1 . LEU 218 218 11177 1 . GLY 219 219 11177 1 . PRO 220 220 11177 1 . LEU 221 221 11177 1 . ARG 222 222 11177 1 . SER 223 223 11177 1 . ALA 224 224 11177 1 . GLU 225 225 11177 1 . ALA 226 226 11177 1 . ILE 227 227 11177 1 . GLY 228 228 11177 1 . VAL 229 229 11177 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 11177 _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 $RecO . 300852 organism . 'Thermus thermophilus' 'Thermus thermophilus HB8' . . Bacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . . . . . . 11177 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 11177 _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 $RecO . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET11a . . . . . . 11177 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11177 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RecO '[U-100% 13C; U-100% 15N]' . . 1 $RecO . protein 0.4 . . mM . . . . 11177 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 11177 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 11177 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 11177 1 5 'Magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 11177 1 6 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11177 1 7 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11177 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 11177 _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 7.5 . pH 11177 1 temperature 313 . K 11177 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 11177 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 11177 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11177 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 11177 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 11177 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11177 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 11177 _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 . . . . . . . . . . . . . . . . 11177 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 11177 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 11177 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . . . . . 11177 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 11177 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 11177 _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' 1 $sample_1 isotropic 11177 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 5 5 TYR H H 1 8.04 0.02 . 1 . . . . 5 TYR H . 11177 1 2 . 1 1 5 5 TYR N N 15 123.7 0.02 . 1 . . . . 5 TYR N . 11177 1 3 . 1 1 6 6 THR H H 1 7.96 0.02 . 1 . . . . 6 THR H . 11177 1 4 . 1 1 6 6 THR N N 15 118 0.02 . 1 . . . . 6 THR N . 11177 1 5 . 1 1 7 7 GLY H H 1 7.56 0.02 . 1 . . . . 7 GLY H . 11177 1 6 . 1 1 7 7 GLY N N 15 112.1 0.02 . 1 . . . . 7 GLY N . 11177 1 7 . 1 1 8 8 LYS H H 1 7.99 0.02 . 1 . . . . 8 LYS H . 11177 1 8 . 1 1 8 8 LYS N N 15 122.5 0.02 . 1 . . . . 8 LYS N . 11177 1 9 . 1 1 9 9 VAL H H 1 8 0.02 . 1 . . . . 9 VAL H . 11177 1 10 . 1 1 9 9 VAL N N 15 123.5 0.02 . 1 . . . . 9 VAL N . 11177 1 11 . 1 1 10 10 GLU H H 1 8.35 0.02 . 1 . . . . 10 GLU H . 11177 1 12 . 1 1 10 10 GLU N N 15 126.9 0.02 . 1 . . . . 10 GLU N . 11177 1 13 . 1 1 11 11 ARG H H 1 8.23 0.02 . 1 . . . . 11 ARG H . 11177 1 14 . 1 1 11 11 ARG N N 15 123.7 0.02 . 1 . . . . 11 ARG N . 11177 1 15 . 1 1 12 12 TYR H H 1 7.8 0.02 . 1 . . . . 12 TYR H . 11177 1 16 . 1 1 12 12 TYR N N 15 120.7 0.02 . 1 . . . . 12 TYR N . 11177 1 17 . 1 1 13 13 ARG H H 1 8.37 0.02 . 1 . . . . 13 ARG H . 11177 1 18 . 1 1 13 13 ARG N N 15 122.5 0.02 . 1 . . . . 13 ARG N . 11177 1 19 . 1 1 14 14 LEU H H 1 8.17 0.02 . 1 . . . . 14 LEU H . 11177 1 20 . 1 1 14 14 LEU N N 15 127.1 0.02 . 1 . . . . 14 LEU N . 11177 1 21 . 1 1 15 15 GLU H H 1 8.46 0.02 . 1 . . . . 15 GLU H . 11177 1 22 . 1 1 15 15 GLU N N 15 127.8 0.02 . 1 . . . . 15 GLU N . 11177 1 23 . 1 1 16 16 GLU H H 1 8.9 0.02 . 1 . . . . 16 GLU H . 11177 1 24 . 1 1 16 16 GLU N N 15 121.4 0.02 . 1 . . . . 16 GLU N . 11177 1 25 . 1 1 17 17 GLY H H 1 9.03 0.02 . 1 . . . . 17 GLY H . 11177 1 26 . 1 1 17 17 GLY N N 15 130.3 0.02 . 1 . . . . 17 GLY N . 11177 1 27 . 1 1 18 18 ILE H H 1 8.51 0.02 . 1 . . . . 18 ILE H . 11177 1 28 . 1 1 18 18 ILE N N 15 120.4 0.02 . 1 . . . . 18 ILE N . 11177 1 29 . 1 1 19 19 VAL H H 1 8.4 0.02 . 1 . . . . 19 VAL H . 11177 1 30 . 1 1 19 19 VAL N N 15 128.5 0.02 . 1 . . . . 19 VAL N . 11177 1 31 . 1 1 21 21 GLY H H 1 7.52 0.02 . 1 . . . . 21 GLY H . 11177 1 32 . 1 1 21 21 GLY N N 15 111.1 0.02 . 1 . . . . 21 GLY N . 11177 1 33 . 1 1 22 22 ARG H H 1 8.4 0.02 . 1 . . . . 22 ARG H . 11177 1 34 . 1 1 22 22 ARG N N 15 123 0.02 . 1 . . . . 22 ARG N . 11177 1 35 . 1 1 23 23 LYS H H 1 7.43 0.02 . 1 . . . . 23 LYS H . 11177 1 36 . 1 1 23 23 LYS N N 15 113.8 0.02 . 1 . . . . 23 LYS N . 11177 1 37 . 1 1 27 27 GLN H H 1 8.42 0.02 . 1 . . . . 27 GLN H . 11177 1 38 . 1 1 27 27 GLN N N 15 115.2 0.02 . 1 . . . . 27 GLN N . 11177 1 39 . 1 1 28 28 GLY H H 1 7.96 0.02 . 1 . . . . 28 GLY H . 11177 1 40 . 1 1 28 28 GLY N N 15 107 0.02 . 1 . . . . 28 GLY N . 11177 1 41 . 1 1 29 29 ASP H H 1 6.91 0.02 . 1 . . . . 29 ASP H . 11177 1 42 . 1 1 29 29 ASP N N 15 122.2 0.02 . 1 . . . . 29 ASP N . 11177 1 43 . 1 1 30 30 LEU H H 1 8.45 0.02 . 1 . . . . 30 LEU H . 11177 1 44 . 1 1 30 30 LEU N N 15 123.1 0.02 . 1 . . . . 30 LEU N . 11177 1 45 . 1 1 31 31 LEU H H 1 8.83 0.02 . 1 . . . . 31 LEU H . 11177 1 46 . 1 1 31 31 LEU N N 15 129.6 0.02 . 1 . . . . 31 LEU N . 11177 1 47 . 1 1 32 32 LEU H H 1 9.32 0.02 . 1 . . . . 32 LEU H . 11177 1 48 . 1 1 32 32 LEU N N 15 129.3 0.02 . 1 . . . . 32 LEU N . 11177 1 49 . 1 1 33 33 ARG H H 1 7.94 0.02 . 1 . . . . 33 ARG H . 11177 1 50 . 1 1 33 33 ARG N N 15 121.4 0.02 . 1 . . . . 33 ARG N . 11177 1 51 . 1 1 34 34 LEU H H 1 9.56 0.02 . 1 . . . . 34 LEU H . 11177 1 52 . 1 1 34 34 LEU N N 15 124.9 0.02 . 1 . . . . 34 LEU N . 11177 1 53 . 1 1 35 35 VAL H H 1 8.34 0.02 . 1 . . . . 35 VAL H . 11177 1 54 . 1 1 35 35 VAL N N 15 120.5 0.02 . 1 . . . . 35 VAL N . 11177 1 55 . 1 1 36 36 THR H H 1 7.07 0.02 . 1 . . . . 36 THR H . 11177 1 56 . 1 1 36 36 THR N N 15 120.5 0.02 . 1 . . . . 36 THR N . 11177 1 57 . 1 1 38 38 ARG H H 1 7.42 0.02 . 1 . . . . 38 ARG H . 11177 1 58 . 1 1 38 38 ARG N N 15 115.3 0.02 . 1 . . . . 38 ARG N . 11177 1 59 . 1 1 39 39 GLY H H 1 7.33 0.02 . 1 . . . . 39 GLY H . 11177 1 60 . 1 1 39 39 GLY N N 15 110.5 0.02 . 1 . . . . 39 GLY N . 11177 1 61 . 1 1 40 40 SER H H 1 8.62 0.02 . 1 . . . . 40 SER H . 11177 1 62 . 1 1 40 40 SER N N 15 122.1 0.02 . 1 . . . . 40 SER N . 11177 1 63 . 1 1 41 41 LEU H H 1 8.99 0.02 . 1 . . . . 41 LEU H . 11177 1 64 . 1 1 41 41 LEU N N 15 124.9 0.02 . 1 . . . . 41 LEU N . 11177 1 65 . 1 1 42 42 GLU H H 1 7.6 0.02 . 1 . . . . 42 GLU H . 11177 1 66 . 1 1 42 42 GLU N N 15 124.2 0.02 . 1 . . . . 42 GLU N . 11177 1 67 . 1 1 43 43 ALA H H 1 8.73 0.02 . 1 . . . . 43 ALA H . 11177 1 68 . 1 1 43 43 ALA N N 15 124.7 0.02 . 1 . . . . 43 ALA N . 11177 1 69 . 1 1 44 44 VAL H H 1 8.58 0.02 . 1 . . . . 44 VAL H . 11177 1 70 . 1 1 44 44 VAL N N 15 120.4 0.02 . 1 . . . . 44 VAL N . 11177 1 71 . 1 1 45 45 VAL H H 1 9.16 0.02 . 1 . . . . 45 VAL H . 11177 1 72 . 1 1 45 45 VAL N N 15 128 0.02 . 1 . . . . 45 VAL N . 11177 1 73 . 1 1 46 46 ARG H H 1 9.09 0.02 . 1 . . . . 46 ARG H . 11177 1 74 . 1 1 46 46 ARG N N 15 131 0.02 . 1 . . . . 46 ARG N . 11177 1 75 . 1 1 47 47 LYS H H 1 9.16 0.02 . 1 . . . . 47 LYS H . 11177 1 76 . 1 1 47 47 LYS N N 15 124.6 0.02 . 1 . . . . 47 LYS N . 11177 1 77 . 1 1 48 48 GLY H H 1 8.26 0.02 . 1 . . . . 48 GLY H . 11177 1 78 . 1 1 48 48 GLY N N 15 109.5 0.02 . 1 . . . . 48 GLY N . 11177 1 79 . 1 1 49 49 GLN H H 1 8.05 0.02 . 1 . . . . 49 GLN H . 11177 1 80 . 1 1 49 49 GLN N N 15 120.4 0.02 . 1 . . . . 49 GLN N . 11177 1 81 . 1 1 50 50 ARG H H 1 7.88 0.02 . 1 . . . . 50 ARG H . 11177 1 82 . 1 1 50 50 ARG N N 15 122.7 0.02 . 1 . . . . 50 ARG N . 11177 1 83 . 1 1 52 52 THR H H 1 8.02 0.02 . 1 . . . . 52 THR H . 11177 1 84 . 1 1 52 52 THR N N 15 114.3 0.02 . 1 . . . . 52 THR N . 11177 1 85 . 1 1 53 53 GLY H H 1 8.25 0.02 . 1 . . . . 53 GLY H . 11177 1 86 . 1 1 53 53 GLY N N 15 112.4 0.02 . 1 . . . . 53 GLY N . 11177 1 87 . 1 1 55 55 THR H H 1 7.87 0.02 . 1 . . . . 55 THR H . 11177 1 88 . 1 1 55 55 THR N N 15 113.9 0.02 . 1 . . . . 55 THR N . 11177 1 89 . 1 1 56 56 GLY H H 1 8.07 0.02 . 1 . . . . 56 GLY H . 11177 1 90 . 1 1 56 56 GLY N N 15 111.8 0.02 . 1 . . . . 56 GLY N . 11177 1 91 . 1 1 60 60 LEU H H 1 7.76 0.02 . 1 . . . . 60 LEU H . 11177 1 92 . 1 1 60 60 LEU N N 15 121.5 0.02 . 1 . . . . 60 LEU N . 11177 1 93 . 1 1 62 62 HIS H H 1 7.8 0.02 . 1 . . . . 62 HIS H . 11177 1 94 . 1 1 62 62 HIS N N 15 121.1 0.02 . 1 . . . . 62 HIS N . 11177 1 95 . 1 1 63 63 HIS H H 1 8.48 0.02 . 1 . . . . 63 HIS H . 11177 1 96 . 1 1 63 63 HIS N N 15 125.8 0.02 . 1 . . . . 63 HIS N . 11177 1 97 . 1 1 64 64 VAL H H 1 9.35 0.02 . 1 . . . . 64 VAL H . 11177 1 98 . 1 1 64 64 VAL N N 15 123 0.02 . 1 . . . . 64 VAL N . 11177 1 99 . 1 1 65 65 ARG H H 1 8.73 0.02 . 1 . . . . 65 ARG H . 11177 1 100 . 1 1 65 65 ARG N N 15 123.7 0.02 . 1 . . . . 65 ARG N . 11177 1 101 . 1 1 67 67 GLN H H 1 8.39 0.02 . 1 . . . . 67 GLN H . 11177 1 102 . 1 1 67 67 GLN N N 15 119.5 0.02 . 1 . . . . 67 GLN N . 11177 1 103 . 1 1 68 68 LEU H H 1 8.99 0.02 . 1 . . . . 68 LEU H . 11177 1 104 . 1 1 68 68 LEU N N 15 126.5 0.02 . 1 . . . . 68 LEU N . 11177 1 105 . 1 1 70 70 ALA H H 1 8.39 0.02 . 1 . . . . 70 ALA H . 11177 1 106 . 1 1 70 70 ALA N N 15 131.7 0.02 . 1 . . . . 70 ALA N . 11177 1 107 . 1 1 71 71 LYS H H 1 7.81 0.02 . 1 . . . . 71 LYS H . 11177 1 108 . 1 1 71 71 LYS N N 15 123.4 0.02 . 1 . . . . 71 LYS N . 11177 1 109 . 1 1 72 72 GLY H H 1 8.23 0.02 . 1 . . . . 72 GLY H . 11177 1 110 . 1 1 72 72 GLY N N 15 112.8 0.02 . 1 . . . . 72 GLY N . 11177 1 111 . 1 1 73 73 GLU H H 1 8.07 0.02 . 1 . . . . 73 GLU H . 11177 1 112 . 1 1 73 73 GLU N N 15 122.1 0.02 . 1 . . . . 73 GLU N . 11177 1 113 . 1 1 74 74 GLY H H 1 8.16 0.02 . 1 . . . . 74 GLY H . 11177 1 114 . 1 1 74 74 GLY N N 15 111.4 0.02 . 1 . . . . 74 GLY N . 11177 1 115 . 1 1 75 75 LEU H H 1 8.11 0.02 . 1 . . . . 75 LEU H . 11177 1 116 . 1 1 75 75 LEU N N 15 124.1 0.02 . 1 . . . . 75 LEU N . 11177 1 117 . 1 1 77 77 THR H H 1 8.5 0.02 . 1 . . . . 77 THR H . 11177 1 118 . 1 1 77 77 THR N N 15 116.3 0.02 . 1 . . . . 77 THR N . 11177 1 119 . 1 1 78 78 LEU H H 1 8.72 0.02 . 1 . . . . 78 LEU H . 11177 1 120 . 1 1 78 78 LEU N N 15 130.8 0.02 . 1 . . . . 78 LEU N . 11177 1 121 . 1 1 79 79 THR H H 1 8.82 0.02 . 1 . . . . 79 THR H . 11177 1 122 . 1 1 79 79 THR N N 15 119.7 0.02 . 1 . . . . 79 THR N . 11177 1 123 . 1 1 83 83 LEU H H 1 8.72 0.02 . 1 . . . . 83 LEU H . 11177 1 124 . 1 1 83 83 LEU N N 15 127.5 0.02 . 1 . . . . 83 LEU N . 11177 1 125 . 1 1 85 85 GLY H H 1 7.71 0.02 . 1 . . . . 85 GLY H . 11177 1 126 . 1 1 85 85 GLY N N 15 107.5 0.02 . 1 . . . . 85 GLY N . 11177 1 127 . 1 1 86 86 ARG H H 1 8.21 0.02 . 1 . . . . 86 ARG H . 11177 1 128 . 1 1 86 86 ARG N N 15 122.9 0.02 . 1 . . . . 86 ARG N . 11177 1 129 . 1 1 87 87 LEU H H 1 8.95 0.02 . 1 . . . . 87 LEU H . 11177 1 130 . 1 1 87 87 LEU N N 15 127.4 0.02 . 1 . . . . 87 LEU N . 11177 1 131 . 1 1 90 90 LEU H H 1 7.39 0.02 . 1 . . . . 90 LEU H . 11177 1 132 . 1 1 90 90 LEU N N 15 117.5 0.02 . 1 . . . . 90 LEU N . 11177 1 133 . 1 1 91 91 GLU H H 1 8.08 0.02 . 1 . . . . 91 GLU H . 11177 1 134 . 1 1 91 91 GLU N N 15 116.2 0.02 . 1 . . . . 91 GLU N . 11177 1 135 . 1 1 92 92 ALA H H 1 7.33 0.02 . 1 . . . . 92 ALA H . 11177 1 136 . 1 1 92 92 ALA N N 15 127 0.02 . 1 . . . . 92 ALA N . 11177 1 137 . 1 1 94 94 ARG H H 1 8.56 0.02 . 1 . . . . 94 ARG H . 11177 1 138 . 1 1 94 94 ARG N N 15 117.1 0.02 . 1 . . . . 94 ARG N . 11177 1 139 . 1 1 95 95 ARG H H 1 6.94 0.02 . 1 . . . . 95 ARG H . 11177 1 140 . 1 1 95 95 ARG N N 15 117.8 0.02 . 1 . . . . 95 ARG N . 11177 1 141 . 1 1 96 96 PHE H H 1 8.58 0.02 . 1 . . . . 96 PHE H . 11177 1 142 . 1 1 96 96 PHE N N 15 123 0.02 . 1 . . . . 96 PHE N . 11177 1 143 . 1 1 97 97 LEU H H 1 7.89 0.02 . 1 . . . . 97 LEU H . 11177 1 144 . 1 1 97 97 LEU N N 15 118 0.02 . 1 . . . . 97 LEU N . 11177 1 145 . 1 1 98 98 LEU H H 1 7.34 0.02 . 1 . . . . 98 LEU H . 11177 1 146 . 1 1 98 98 LEU N N 15 120.5 0.02 . 1 . . . . 98 LEU N . 11177 1 147 . 1 1 99 99 ALA H H 1 8.24 0.02 . 1 . . . . 99 ALA H . 11177 1 148 . 1 1 99 99 ALA N N 15 123.6 0.02 . 1 . . . . 99 ALA N . 11177 1 149 . 1 1 100 100 ALA H H 1 8.39 0.02 . 1 . . . . 100 ALA H . 11177 1 150 . 1 1 100 100 ALA N N 15 120.7 0.02 . 1 . . . . 100 ALA N . 11177 1 151 . 1 1 101 101 PHE H H 1 7.36 0.02 . 1 . . . . 101 PHE H . 11177 1 152 . 1 1 101 101 PHE N N 15 121.2 0.02 . 1 . . . . 101 PHE N . 11177 1 153 . 1 1 102 102 LEU H H 1 7.54 0.02 . 1 . . . . 102 LEU H . 11177 1 154 . 1 1 102 102 LEU N N 15 121.1 0.02 . 1 . . . . 102 LEU N . 11177 1 155 . 1 1 103 103 ALA H H 1 8.69 0.02 . 1 . . . . 103 ALA H . 11177 1 156 . 1 1 103 103 ALA N N 15 119.7 0.02 . 1 . . . . 103 ALA N . 11177 1 157 . 1 1 104 104 GLU H H 1 7.79 0.02 . 1 . . . . 104 GLU H . 11177 1 158 . 1 1 104 104 GLU N N 15 121 0.02 . 1 . . . . 104 GLU N . 11177 1 159 . 1 1 105 105 LEU H H 1 7.82 0.02 . 1 . . . . 105 LEU H . 11177 1 160 . 1 1 105 105 LEU N N 15 121.1 0.02 . 1 . . . . 105 LEU N . 11177 1 161 . 1 1 106 106 ALA H H 1 8.25 0.02 . 1 . . . . 106 ALA H . 11177 1 162 . 1 1 106 106 ALA N N 15 118 0.02 . 1 . . . . 106 ALA N . 11177 1 163 . 1 1 107 107 TYR H H 1 8.54 0.02 . 1 . . . . 107 TYR H . 11177 1 164 . 1 1 107 107 TYR N N 15 118.5 0.02 . 1 . . . . 107 TYR N . 11177 1 165 . 1 1 108 108 ARG H H 1 8.14 0.02 . 1 . . . . 108 ARG H . 11177 1 166 . 1 1 108 108 ARG N N 15 117.4 0.02 . 1 . . . . 108 ARG N . 11177 1 167 . 1 1 109 109 LEU H H 1 7.18 0.02 . 1 . . . . 109 LEU H . 11177 1 168 . 1 1 109 109 LEU N N 15 116.7 0.02 . 1 . . . . 109 LEU N . 11177 1 169 . 1 1 110 110 ALA H H 1 7.51 0.02 . 1 . . . . 110 ALA H . 11177 1 170 . 1 1 110 110 ALA N N 15 126.9 0.02 . 1 . . . . 110 ALA N . 11177 1 171 . 1 1 111 111 SER H H 1 8.08 0.02 . 1 . . . . 111 SER H . 11177 1 172 . 1 1 111 111 SER N N 15 122 0.02 . 1 . . . . 111 SER N . 11177 1 173 . 1 1 113 113 GLU H H 1 7.95 0.02 . 1 . . . . 113 GLU H . 11177 1 174 . 1 1 113 113 GLU N N 15 114.7 0.02 . 1 . . . . 113 GLU N . 11177 1 175 . 1 1 114 114 ALA H H 1 7.53 0.02 . 1 . . . . 114 ALA H . 11177 1 176 . 1 1 114 114 ALA N N 15 121.6 0.02 . 1 . . . . 114 ALA N . 11177 1 177 . 1 1 115 115 ALA H H 1 8.75 0.02 . 1 . . . . 115 ALA H . 11177 1 178 . 1 1 115 115 ALA N N 15 125.4 0.02 . 1 . . . . 115 ALA N . 11177 1 179 . 1 1 117 117 ARG H H 1 7.26 0.02 . 1 . . . . 117 ARG H . 11177 1 180 . 1 1 117 117 ARG N N 15 112.9 0.02 . 1 . . . . 117 ARG N . 11177 1 181 . 1 1 118 118 ILE H H 1 7.96 0.02 . 1 . . . . 118 ILE H . 11177 1 182 . 1 1 118 118 ILE N N 15 120.8 0.02 . 1 . . . . 118 ILE N . 11177 1 183 . 1 1 119 119 TYR H H 1 9.14 0.02 . 1 . . . . 119 TYR H . 11177 1 184 . 1 1 119 119 TYR N N 15 122.2 0.02 . 1 . . . . 119 TYR N . 11177 1 185 . 1 1 121 121 LEU H H 1 6.52 0.02 . 1 . . . . 121 LEU H . 11177 1 186 . 1 1 121 121 LEU N N 15 119.8 0.02 . 1 . . . . 121 LEU N . 11177 1 187 . 1 1 122 122 LEU H H 1 8.12 0.02 . 1 . . . . 122 LEU H . 11177 1 188 . 1 1 122 122 LEU N N 15 122.7 0.02 . 1 . . . . 122 LEU N . 11177 1 189 . 1 1 123 123 VAL H H 1 7.64 0.02 . 1 . . . . 123 VAL H . 11177 1 190 . 1 1 123 123 VAL N N 15 119.4 0.02 . 1 . . . . 123 VAL N . 11177 1 191 . 1 1 124 124 SER H H 1 8.02 0.02 . 1 . . . . 124 SER H . 11177 1 192 . 1 1 124 124 SER N N 15 115.2 0.02 . 1 . . . . 124 SER N . 11177 1 193 . 1 1 125 125 GLY H H 1 8.95 0.02 . 1 . . . . 125 GLY H . 11177 1 194 . 1 1 125 125 GLY N N 15 114 0.02 . 1 . . . . 125 GLY N . 11177 1 195 . 1 1 126 126 LEU H H 1 8.43 0.02 . 1 . . . . 126 LEU H . 11177 1 196 . 1 1 126 126 LEU N N 15 122.9 0.02 . 1 . . . . 126 LEU N . 11177 1 197 . 1 1 127 127 ARG H H 1 7.68 0.02 . 1 . . . . 127 ARG H . 11177 1 198 . 1 1 127 127 ARG N N 15 118.9 0.02 . 1 . . . . 127 ARG N . 11177 1 199 . 1 1 128 128 GLY H H 1 8.02 0.02 . 1 . . . . 128 GLY H . 11177 1 200 . 1 1 128 128 GLY N N 15 107.4 0.02 . 1 . . . . 128 GLY N . 11177 1 201 . 1 1 129 129 ILE H H 1 8.82 0.02 . 1 . . . . 129 ILE H . 11177 1 202 . 1 1 129 129 ILE N N 15 127 0.02 . 1 . . . . 129 ILE N . 11177 1 203 . 1 1 130 130 ALA H H 1 7.84 0.02 . 1 . . . . 130 ALA H . 11177 1 204 . 1 1 130 130 ALA N N 15 120.6 0.02 . 1 . . . . 130 ALA N . 11177 1 205 . 1 1 131 131 LYS H H 1 7.17 0.02 . 1 . . . . 131 LYS H . 11177 1 206 . 1 1 131 131 LYS N N 15 114.7 0.02 . 1 . . . . 131 LYS N . 11177 1 207 . 1 1 132 132 HIS H H 1 9.03 0.02 . 1 . . . . 132 HIS H . 11177 1 208 . 1 1 132 132 HIS N N 15 123.6 0.02 . 1 . . . . 132 HIS N . 11177 1 209 . 1 1 133 133 GLU H H 1 8.4 0.02 . 1 . . . . 133 GLU H . 11177 1 210 . 1 1 133 133 GLU N N 15 128.2 0.02 . 1 . . . . 133 GLU N . 11177 1 211 . 1 1 139 139 LEU H H 1 6.82 0.02 . 1 . . . . 139 LEU H . 11177 1 212 . 1 1 139 139 LEU N N 15 119 0.02 . 1 . . . . 139 LEU N . 11177 1 213 . 1 1 140 140 VAL H H 1 8.5 0.02 . 1 . . . . 140 VAL H . 11177 1 214 . 1 1 140 140 VAL N N 15 121 0.02 . 1 . . . . 140 VAL N . 11177 1 215 . 1 1 141 141 TRP H H 1 7.99 0.02 . 1 . . . . 141 TRP H . 11177 1 216 . 1 1 141 141 TRP N N 15 120.6 0.02 . 1 . . . . 141 TRP N . 11177 1 217 . 1 1 142 142 ALA H H 1 8.85 0.02 . 1 . . . . 142 ALA H . 11177 1 218 . 1 1 142 142 ALA N N 15 120.3 0.02 . 1 . . . . 142 ALA N . 11177 1 219 . 1 1 143 143 GLY H H 1 9.12 0.02 . 1 . . . . 143 GLY H . 11177 1 220 . 1 1 143 143 GLY N N 15 107.8 0.02 . 1 . . . . 143 GLY N . 11177 1 221 . 1 1 144 144 TRP H H 1 7.75 0.02 . 1 . . . . 144 TRP H . 11177 1 222 . 1 1 144 144 TRP N N 15 121.7 0.02 . 1 . . . . 144 TRP N . 11177 1 223 . 1 1 145 145 ARG H H 1 7.57 0.02 . 1 . . . . 145 ARG H . 11177 1 224 . 1 1 145 145 ARG N N 15 119.1 0.02 . 1 . . . . 145 ARG N . 11177 1 225 . 1 1 146 146 VAL H H 1 9.05 0.02 . 1 . . . . 146 VAL H . 11177 1 226 . 1 1 146 146 VAL N N 15 126.5 0.02 . 1 . . . . 146 VAL N . 11177 1 227 . 1 1 147 147 ALA H H 1 7.86 0.02 . 1 . . . . 147 ALA H . 11177 1 228 . 1 1 147 147 ALA N N 15 123.5 0.02 . 1 . . . . 147 ALA N . 11177 1 229 . 1 1 148 148 LYS H H 1 7.84 0.02 . 1 . . . . 148 LYS H . 11177 1 230 . 1 1 148 148 LYS N N 15 118.1 0.02 . 1 . . . . 148 LYS N . 11177 1 231 . 1 1 149 149 ALA H H 1 8.51 0.02 . 1 . . . . 149 ALA H . 11177 1 232 . 1 1 149 149 ALA N N 15 125.2 0.02 . 1 . . . . 149 ALA N . 11177 1 233 . 1 1 150 150 GLY H H 1 8.35 0.02 . 1 . . . . 150 GLY H . 11177 1 234 . 1 1 150 150 GLY N N 15 130 0.02 . 1 . . . . 150 GLY N . 11177 1 235 . 1 1 151 151 GLY H H 1 7.53 0.02 . 1 . . . . 151 GLY H . 11177 1 236 . 1 1 151 151 GLY N N 15 107.5 0.02 . 1 . . . . 151 GLY N . 11177 1 237 . 1 1 152 152 ILE H H 1 7.93 0.02 . 1 . . . . 152 ILE H . 11177 1 238 . 1 1 152 152 ILE N N 15 114.2 0.02 . 1 . . . . 152 ILE N . 11177 1 239 . 1 1 153 153 GLY H H 1 9.01 0.02 . 1 . . . . 153 GLY H . 11177 1 240 . 1 1 153 153 GLY N N 15 114.1 0.02 . 1 . . . . 153 GLY N . 11177 1 241 . 1 1 155 155 ASN H H 1 8.68 0.02 . 1 . . . . 155 ASN H . 11177 1 242 . 1 1 155 155 ASN N N 15 121.6 0.02 . 1 . . . . 155 ASN N . 11177 1 243 . 1 1 156 156 LEU H H 1 8.4 0.02 . 1 . . . . 156 LEU H . 11177 1 244 . 1 1 156 156 LEU N N 15 125.6 0.02 . 1 . . . . 156 LEU N . 11177 1 245 . 1 1 157 157 GLU H H 1 7.77 0.02 . 1 . . . . 157 GLU H . 11177 1 246 . 1 1 157 157 GLU N N 15 120.3 0.02 . 1 . . . . 157 GLU N . 11177 1 247 . 1 1 158 158 GLY H H 1 8.19 0.02 . 1 . . . . 158 GLY H . 11177 1 248 . 1 1 158 158 GLY N N 15 110.5 0.02 . 1 . . . . 158 GLY N . 11177 1 249 . 1 1 159 159 GLU H H 1 8.08 0.02 . 1 . . . . 159 GLU H . 11177 1 250 . 1 1 159 159 GLU N N 15 119.1 0.02 . 1 . . . . 159 GLU N . 11177 1 251 . 1 1 160 160 GLY H H 1 7.97 0.02 . 1 . . . . 160 GLY H . 11177 1 252 . 1 1 160 160 GLY N N 15 110.4 0.02 . 1 . . . . 160 GLY N . 11177 1 253 . 1 1 161 161 LEU H H 1 7.91 0.02 . 1 . . . . 161 LEU H . 11177 1 254 . 1 1 161 161 LEU N N 15 117.1 0.02 . 1 . . . . 161 LEU N . 11177 1 255 . 1 1 162 162 ARG H H 1 7.97 0.02 . 1 . . . . 162 ARG H . 11177 1 256 . 1 1 162 162 ARG N N 15 120.4 0.02 . 1 . . . . 162 ARG N . 11177 1 257 . 1 1 163 163 LEU H H 1 8.37 0.02 . 1 . . . . 163 LEU H . 11177 1 258 . 1 1 163 163 LEU N N 15 124.2 0.02 . 1 . . . . 163 LEU N . 11177 1 259 . 1 1 164 164 LYS H H 1 8.72 0.02 . 1 . . . . 164 LYS H . 11177 1 260 . 1 1 164 164 LYS N N 15 130.7 0.02 . 1 . . . . 164 LYS N . 11177 1 261 . 1 1 165 165 ARG H H 1 10.2 0.02 . 1 . . . . 165 ARG H . 11177 1 262 . 1 1 165 165 ARG N N 15 130.8 0.02 . 1 . . . . 165 ARG N . 11177 1 263 . 1 1 166 166 GLY H H 1 9.53 0.02 . 1 . . . . 166 GLY H . 11177 1 264 . 1 1 166 166 GLY N N 15 132.1 0.02 . 1 . . . . 166 GLY N . 11177 1 265 . 1 1 167 167 ARG H H 1 8 0.02 . 1 . . . . 167 ARG H . 11177 1 266 . 1 1 167 167 ARG N N 15 121.4 0.02 . 1 . . . . 167 ARG N . 11177 1 267 . 1 1 168 168 LEU H H 1 8.31 0.02 . 1 . . . . 168 LEU H . 11177 1 268 . 1 1 168 168 LEU N N 15 124.2 0.02 . 1 . . . . 168 LEU N . 11177 1 269 . 1 1 169 169 GLY H H 1 8.87 0.02 . 1 . . . . 169 GLY H . 11177 1 270 . 1 1 169 169 GLY N N 15 113.4 0.02 . 1 . . . . 169 GLY N . 11177 1 271 . 1 1 170 170 GLU H H 1 8.58 0.02 . 1 . . . . 170 GLU H . 11177 1 272 . 1 1 170 170 GLU N N 15 120.6 0.02 . 1 . . . . 170 GLU N . 11177 1 273 . 1 1 171 171 GLU H H 1 7.36 0.02 . 1 . . . . 171 GLU H . 11177 1 274 . 1 1 171 171 GLU N N 15 118.4 0.02 . 1 . . . . 171 GLU N . 11177 1 275 . 1 1 172 172 GLY H H 1 8.64 0.02 . 1 . . . . 172 GLY H . 11177 1 276 . 1 1 172 172 GLY N N 15 109.6 0.02 . 1 . . . . 172 GLY N . 11177 1 277 . 1 1 173 173 VAL H H 1 7.97 0.02 . 1 . . . . 173 VAL H . 11177 1 278 . 1 1 173 173 VAL N N 15 123.8 0.02 . 1 . . . . 173 VAL N . 11177 1 279 . 1 1 174 174 TYR H H 1 8.89 0.02 . 1 . . . . 174 TYR H . 11177 1 280 . 1 1 174 174 TYR N N 15 129.2 0.02 . 1 . . . . 174 TYR N . 11177 1 281 . 1 1 176 176 GLY H H 1 6.64 0.02 . 1 . . . . 176 GLY H . 11177 1 282 . 1 1 176 176 GLY N N 15 131.9 0.02 . 1 . . . . 176 GLY N . 11177 1 283 . 1 1 177 177 ARG H H 1 9.15 0.02 . 1 . . . . 177 ARG H . 11177 1 284 . 1 1 177 177 ARG N N 15 124.5 0.02 . 1 . . . . 177 ARG N . 11177 1 285 . 1 1 178 178 GLU H H 1 9.65 0.02 . 1 . . . . 178 GLU H . 11177 1 286 . 1 1 178 178 GLU N N 15 118 0.02 . 1 . . . . 178 GLU N . 11177 1 287 . 1 1 179 179 GLY H H 1 7.03 0.02 . 1 . . . . 179 GLY H . 11177 1 288 . 1 1 179 179 GLY N N 15 109.1 0.02 . 1 . . . . 179 GLY N . 11177 1 289 . 1 1 180 180 VAL H H 1 8.13 0.02 . 1 . . . . 180 VAL H . 11177 1 290 . 1 1 180 180 VAL N N 15 124.9 0.02 . 1 . . . . 180 VAL N . 11177 1 291 . 1 1 181 181 GLU H H 1 7.99 0.02 . 1 . . . . 181 GLU H . 11177 1 292 . 1 1 181 181 GLU N N 15 119.3 0.02 . 1 . . . . 181 GLU N . 11177 1 293 . 1 1 182 182 ALA H H 1 7.5 0.02 . 1 . . . . 182 ALA H . 11177 1 294 . 1 1 182 182 ALA N N 15 122.2 0.02 . 1 . . . . 182 ALA N . 11177 1 295 . 1 1 183 183 LEU H H 1 8.2 0.02 . 1 . . . . 183 LEU H . 11177 1 296 . 1 1 183 183 LEU N N 15 124.8 0.02 . 1 . . . . 183 LEU N . 11177 1 297 . 1 1 184 184 LYS H H 1 8.27 0.02 . 1 . . . . 184 LYS H . 11177 1 298 . 1 1 184 184 LYS N N 15 120 0.02 . 1 . . . . 184 LYS N . 11177 1 299 . 1 1 185 185 ALA H H 1 7.44 0.02 . 1 . . . . 185 ALA H . 11177 1 300 . 1 1 185 185 ALA N N 15 121.3 0.02 . 1 . . . . 185 ALA N . 11177 1 301 . 1 1 186 186 THR H H 1 7.73 0.02 . 1 . . . . 186 THR H . 11177 1 302 . 1 1 186 186 THR N N 15 115.4 0.02 . 1 . . . . 186 THR N . 11177 1 303 . 1 1 187 187 LEU H H 1 7.48 0.02 . 1 . . . . 187 LEU H . 11177 1 304 . 1 1 187 187 LEU N N 15 117.9 0.02 . 1 . . . . 187 LEU N . 11177 1 305 . 1 1 188 188 ARG H H 1 7.75 0.02 . 1 . . . . 188 ARG H . 11177 1 306 . 1 1 188 188 ARG N N 15 118.8 0.02 . 1 . . . . 188 ARG N . 11177 1 307 . 1 1 189 189 LEU H H 1 7.77 0.02 . 1 . . . . 189 LEU H . 11177 1 308 . 1 1 189 189 LEU N N 15 122.4 0.02 . 1 . . . . 189 LEU N . 11177 1 309 . 1 1 191 191 GLY H H 1 8.68 0.02 . 1 . . . . 191 GLY H . 11177 1 310 . 1 1 191 191 GLY N N 15 111.3 0.02 . 1 . . . . 191 GLY N . 11177 1 311 . 1 1 192 192 ALA H H 1 8.73 0.02 . 1 . . . . 192 ALA H . 11177 1 312 . 1 1 192 192 ALA N N 15 126.3 0.02 . 1 . . . . 192 ALA N . 11177 1 313 . 1 1 193 193 GLN H H 1 7.83 0.02 . 1 . . . . 193 GLN H . 11177 1 314 . 1 1 193 193 GLN N N 15 117.9 0.02 . 1 . . . . 193 GLN N . 11177 1 315 . 1 1 194 194 ALA H H 1 8.46 0.02 . 1 . . . . 194 ALA H . 11177 1 316 . 1 1 194 194 ALA N N 15 121.8 0.02 . 1 . . . . 194 ALA N . 11177 1 317 . 1 1 195 195 LEU H H 1 7.36 0.02 . 1 . . . . 195 LEU H . 11177 1 318 . 1 1 195 195 LEU N N 15 118.5 0.02 . 1 . . . . 195 LEU N . 11177 1 319 . 1 1 197 197 HIS H H 1 7.19 0.02 . 1 . . . . 197 HIS H . 11177 1 320 . 1 1 197 197 HIS N N 15 116.5 0.02 . 1 . . . . 197 HIS N . 11177 1 321 . 1 1 198 198 LEU H H 1 7.63 0.02 . 1 . . . . 198 LEU H . 11177 1 322 . 1 1 198 198 LEU N N 15 120.5 0.02 . 1 . . . . 198 LEU N . 11177 1 323 . 1 1 199 199 GLU H H 1 7.19 0.02 . 1 . . . . 199 GLU H . 11177 1 324 . 1 1 199 199 GLU N N 15 121.6 0.02 . 1 . . . . 199 GLU N . 11177 1 325 . 1 1 200 200 GLY H H 1 8.43 0.02 . 1 . . . . 200 GLY H . 11177 1 326 . 1 1 200 200 GLY N N 15 113.4 0.02 . 1 . . . . 200 GLY N . 11177 1 327 . 1 1 201 201 ALA H H 1 7.56 0.02 . 1 . . . . 201 ALA H . 11177 1 328 . 1 1 201 201 ALA N N 15 124.8 0.02 . 1 . . . . 201 ALA N . 11177 1 329 . 1 1 204 204 ASN H H 1 8.74 0.02 . 1 . . . . 204 ASN H . 11177 1 330 . 1 1 204 204 ASN N N 15 118.2 0.02 . 1 . . . . 204 ASN N . 11177 1 331 . 1 1 205 205 ARG H H 1 7.56 0.02 . 1 . . . . 205 ARG H . 11177 1 332 . 1 1 205 205 ARG N N 15 120.3 0.02 . 1 . . . . 205 ARG N . 11177 1 333 . 1 1 206 206 LEU H H 1 7.76 0.02 . 1 . . . . 206 LEU H . 11177 1 334 . 1 1 206 206 LEU N N 15 119.1 0.02 . 1 . . . . 206 LEU N . 11177 1 335 . 1 1 207 207 PHE H H 1 8.67 0.02 . 1 . . . . 207 PHE H . 11177 1 336 . 1 1 207 207 PHE N N 15 123.8 0.02 . 1 . . . . 207 PHE N . 11177 1 337 . 1 1 208 208 LEU H H 1 8.4 0.02 . 1 . . . . 208 LEU H . 11177 1 338 . 1 1 208 208 LEU N N 15 123 0.02 . 1 . . . . 208 LEU N . 11177 1 339 . 1 1 209 209 ALA H H 1 8.45 0.02 . 1 . . . . 209 ALA H . 11177 1 340 . 1 1 209 209 ALA N N 15 121.2 0.02 . 1 . . . . 209 ALA N . 11177 1 341 . 1 1 210 210 LEU H H 1 7.54 0.02 . 1 . . . . 210 LEU H . 11177 1 342 . 1 1 210 210 LEU N N 15 123.4 0.02 . 1 . . . . 210 LEU N . 11177 1 343 . 1 1 211 211 LYS H H 1 8.07 0.02 . 1 . . . . 211 LYS H . 11177 1 344 . 1 1 211 211 LYS N N 15 120.1 0.02 . 1 . . . . 211 LYS N . 11177 1 345 . 1 1 212 212 ALA H H 1 7.75 0.02 . 1 . . . . 212 ALA H . 11177 1 346 . 1 1 212 212 ALA N N 15 121.2 0.02 . 1 . . . . 212 ALA N . 11177 1 347 . 1 1 213 213 HIS H H 1 8.67 0.02 . 1 . . . . 213 HIS H . 11177 1 348 . 1 1 213 213 HIS N N 15 121.3 0.02 . 1 . . . . 213 HIS N . 11177 1 349 . 1 1 214 214 ALA H H 1 8.8 0.02 . 1 . . . . 214 ALA H . 11177 1 350 . 1 1 214 214 ALA N N 15 121.4 0.02 . 1 . . . . 214 ALA N . 11177 1 351 . 1 1 215 215 GLU H H 1 8.04 0.02 . 1 . . . . 215 GLU H . 11177 1 352 . 1 1 215 215 GLU N N 15 117.8 0.02 . 1 . . . . 215 GLU N . 11177 1 353 . 1 1 216 216 GLU H H 1 7.9 0.02 . 1 . . . . 216 GLU H . 11177 1 354 . 1 1 216 216 GLU N N 15 123.3 0.02 . 1 . . . . 216 GLU N . 11177 1 355 . 1 1 217 217 ALA H H 1 7.19 0.02 . 1 . . . . 217 ALA H . 11177 1 356 . 1 1 217 217 ALA N N 15 120.1 0.02 . 1 . . . . 217 ALA N . 11177 1 357 . 1 1 218 218 LEU H H 1 8.51 0.02 . 1 . . . . 218 LEU H . 11177 1 358 . 1 1 218 218 LEU N N 15 116.4 0.02 . 1 . . . . 218 LEU N . 11177 1 359 . 1 1 219 219 GLY H H 1 7.78 0.02 . 1 . . . . 219 GLY H . 11177 1 360 . 1 1 219 219 GLY N N 15 113 0.02 . 1 . . . . 219 GLY N . 11177 1 361 . 1 1 221 221 LEU H H 1 9.09 0.02 . 1 . . . . 221 LEU H . 11177 1 362 . 1 1 221 221 LEU N N 15 128.8 0.02 . 1 . . . . 221 LEU N . 11177 1 363 . 1 1 222 222 ARG H H 1 9.35 0.02 . 1 . . . . 222 ARG H . 11177 1 364 . 1 1 222 222 ARG N N 15 128.6 0.02 . 1 . . . . 222 ARG N . 11177 1 365 . 1 1 223 223 SER H H 1 8.84 0.02 . 1 . . . . 223 SER H . 11177 1 366 . 1 1 223 223 SER N N 15 116.7 0.02 . 1 . . . . 223 SER N . 11177 1 367 . 1 1 224 224 ALA H H 1 7.51 0.02 . 1 . . . . 224 ALA H . 11177 1 368 . 1 1 224 224 ALA N N 15 125.5 0.02 . 1 . . . . 224 ALA N . 11177 1 369 . 1 1 225 225 GLU H H 1 7.64 0.02 . 1 . . . . 225 GLU H . 11177 1 370 . 1 1 225 225 GLU N N 15 119.2 0.02 . 1 . . . . 225 GLU N . 11177 1 371 . 1 1 226 226 ALA H H 1 7.52 0.02 . 1 . . . . 226 ALA H . 11177 1 372 . 1 1 226 226 ALA N N 15 121.6 0.02 . 1 . . . . 226 ALA N . 11177 1 373 . 1 1 227 227 ILE H H 1 7.14 0.02 . 1 . . . . 227 ILE H . 11177 1 374 . 1 1 227 227 ILE N N 15 118.6 0.02 . 1 . . . . 227 ILE N . 11177 1 375 . 1 1 228 228 GLY H H 1 8 0.02 . 1 . . . . 228 GLY H . 11177 1 376 . 1 1 228 228 GLY N N 15 114.1 0.02 . 1 . . . . 228 GLY N . 11177 1 377 . 1 1 229 229 VAL H H 1 7.41 0.02 . 1 . . . . 229 VAL H . 11177 1 378 . 1 1 229 229 VAL N N 15 124.6 0.02 . 1 . . . . 229 VAL N . 11177 1 stop_ save_