data_19209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19209 _Entry.Title ; Backbone NMR assignments for human HDHD4 in complex with calcium and N-acetylneuraminate-9-phosphate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-01 _Entry.Accession_date 2013-05-01 _Entry.Last_release_date 2013-05-29 _Entry.Original_release_date 2013-05-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Keith Constantine . . . 19209 2 Soong-hoon Kim . . . 19209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 19209 '15N chemical shifts' 210 19209 '1H chemical shifts' 210 19209 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 . . 2013-05-29 2013-05-01 original author . 19209 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19207 'HDHD4 (apo form)' 19209 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19209 _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 'design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex' _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 Keith Constantine . . . 19209 1 2 Soong-hoon Kim . . . 19209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19209 _Assembly.ID 1 _Assembly.Name HDHD4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 'EC 3.1.3.29' _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 HDHD4 1 $HDHD4 A . yes native no no . . . 19209 1 2 'Calcium ions' 2 $entity_CA . . no native no no . . . 19209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HDHD4 _Entity.Sf_category entity _Entity.Sf_framecode HDHD4 _Entity.Entry_ID 19209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HDHD4 _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 ; MRAVFFDLDNTLIDTAGASR RGMLEVIKLLQSKYHYKEEA EIICDKVQVKLSKECFHPYN TCITDLRTSHWEEAIQETKG GAANRKLAEECYFLWKSTRL QHMTLAEDVKAMLTELRKEV RLLLLTNGDRQTQREKIEAC ACQSYFDAVVVGGEQREEKP APSIFYYCCNLLGVQPGDCV MVGDTLETDIQGGLNAGLKA TVWINKNGIVPLKSSPVPHY MVSSVLELPALLQSIDCLVP R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 241 _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 BMRB 19207 . HDHD4 . . . . . 100.00 241 100.00 100.00 2.25e-178 . . . . 19209 1 2 no PDB 2W4M . "The Crystal Structure Of Human N-Acetylneuraminic Acid Phosphatase, Nanp" . . . . . 99.17 270 99.16 99.58 5.81e-175 . . . . 19209 1 3 no PDB 4KNV . "The Crystal Structure Of Apo Human Hdhd4 From Se-mad" . . . . . 99.59 241 97.92 97.92 2.50e-172 . . . . 19209 1 4 no DBJ BAG51524 . "unnamed protein product [Homo sapiens]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 5 no GB AAH22552 . "N-acetylneuraminic acid phosphatase [Homo sapiens]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 6 no GB ACE86671 . "N-acetylneuraminic acid phosphatase protein [synthetic construct]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 7 no GB ACE87355 . "N-acetylneuraminic acid phosphatase protein [synthetic construct]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 8 no GB ADQ31846 . "N-acetylneuraminic acid phosphatase [synthetic construct]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 9 no GB AIC53137 . "NANP, partial [synthetic construct]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 10 no REF NP_001253086 . "N-acylneuraminate-9-phosphatase [Macaca mulatta]" . . . . . 97.93 248 98.73 99.58 2.45e-172 . . . . 19209 1 11 no REF NP_689880 . "N-acylneuraminate-9-phosphatase [Homo sapiens]" . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 1 12 no REF XP_002747573 . "PREDICTED: N-acylneuraminate-9-phosphatase [Callithrix jacchus]" . . . . . 99.17 296 97.49 99.58 6.00e-172 . . . . 19209 1 13 no REF XP_002830094 . "PREDICTED: N-acylneuraminate-9-phosphatase [Pongo abelii]" . . . . . 97.93 368 99.58 100.00 9.81e-173 . . . . 19209 1 14 no REF XP_003278554 . "PREDICTED: N-acylneuraminate-9-phosphatase [Nomascus leucogenys]" . . . . . 97.93 248 98.73 100.00 6.58e-173 . . . . 19209 1 15 no SP Q8TBE9 . "RecName: Full=N-acylneuraminate-9-phosphatase; AltName: Full=Haloacid dehalogenase-like hydrolase domain-containing protein 4; " . . . . . 99.17 248 99.16 99.58 3.52e-175 . . . . 19209 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 6 MET . 19209 1 2 7 ARG . 19209 1 3 8 ALA . 19209 1 4 9 VAL . 19209 1 5 10 PHE . 19209 1 6 11 PHE . 19209 1 7 12 ASP . 19209 1 8 13 LEU . 19209 1 9 14 ASP . 19209 1 10 15 ASN . 19209 1 11 16 THR . 19209 1 12 17 LEU . 19209 1 13 18 ILE . 19209 1 14 19 ASP . 19209 1 15 20 THR . 19209 1 16 21 ALA . 19209 1 17 22 GLY . 19209 1 18 23 ALA . 19209 1 19 24 SER . 19209 1 20 25 ARG . 19209 1 21 26 ARG . 19209 1 22 27 GLY . 19209 1 23 28 MET . 19209 1 24 29 LEU . 19209 1 25 30 GLU . 19209 1 26 31 VAL . 19209 1 27 32 ILE . 19209 1 28 33 LYS . 19209 1 29 34 LEU . 19209 1 30 35 LEU . 19209 1 31 36 GLN . 19209 1 32 37 SER . 19209 1 33 38 LYS . 19209 1 34 39 TYR . 19209 1 35 40 HIS . 19209 1 36 41 TYR . 19209 1 37 42 LYS . 19209 1 38 43 GLU . 19209 1 39 44 GLU . 19209 1 40 45 ALA . 19209 1 41 46 GLU . 19209 1 42 47 ILE . 19209 1 43 48 ILE . 19209 1 44 49 CYS . 19209 1 45 50 ASP . 19209 1 46 51 LYS . 19209 1 47 52 VAL . 19209 1 48 53 GLN . 19209 1 49 54 VAL . 19209 1 50 55 LYS . 19209 1 51 56 LEU . 19209 1 52 57 SER . 19209 1 53 58 LYS . 19209 1 54 59 GLU . 19209 1 55 60 CYS . 19209 1 56 61 PHE . 19209 1 57 62 HIS . 19209 1 58 63 PRO . 19209 1 59 64 TYR . 19209 1 60 65 ASN . 19209 1 61 66 THR . 19209 1 62 67 CYS . 19209 1 63 68 ILE . 19209 1 64 69 THR . 19209 1 65 70 ASP . 19209 1 66 71 LEU . 19209 1 67 72 ARG . 19209 1 68 73 THR . 19209 1 69 74 SER . 19209 1 70 75 HIS . 19209 1 71 76 TRP . 19209 1 72 77 GLU . 19209 1 73 78 GLU . 19209 1 74 79 ALA . 19209 1 75 80 ILE . 19209 1 76 81 GLN . 19209 1 77 82 GLU . 19209 1 78 83 THR . 19209 1 79 84 LYS . 19209 1 80 85 GLY . 19209 1 81 86 GLY . 19209 1 82 87 ALA . 19209 1 83 88 ALA . 19209 1 84 89 ASN . 19209 1 85 90 ARG . 19209 1 86 91 LYS . 19209 1 87 92 LEU . 19209 1 88 93 ALA . 19209 1 89 94 GLU . 19209 1 90 95 GLU . 19209 1 91 96 CYS . 19209 1 92 97 TYR . 19209 1 93 98 PHE . 19209 1 94 99 LEU . 19209 1 95 100 TRP . 19209 1 96 101 LYS . 19209 1 97 102 SER . 19209 1 98 103 THR . 19209 1 99 104 ARG . 19209 1 100 105 LEU . 19209 1 101 106 GLN . 19209 1 102 107 HIS . 19209 1 103 108 MET . 19209 1 104 109 THR . 19209 1 105 110 LEU . 19209 1 106 111 ALA . 19209 1 107 112 GLU . 19209 1 108 113 ASP . 19209 1 109 114 VAL . 19209 1 110 115 LYS . 19209 1 111 116 ALA . 19209 1 112 117 MET . 19209 1 113 118 LEU . 19209 1 114 119 THR . 19209 1 115 120 GLU . 19209 1 116 121 LEU . 19209 1 117 122 ARG . 19209 1 118 123 LYS . 19209 1 119 124 GLU . 19209 1 120 125 VAL . 19209 1 121 126 ARG . 19209 1 122 127 LEU . 19209 1 123 128 LEU . 19209 1 124 129 LEU . 19209 1 125 130 LEU . 19209 1 126 131 THR . 19209 1 127 132 ASN . 19209 1 128 133 GLY . 19209 1 129 134 ASP . 19209 1 130 135 ARG . 19209 1 131 136 GLN . 19209 1 132 137 THR . 19209 1 133 138 GLN . 19209 1 134 139 ARG . 19209 1 135 140 GLU . 19209 1 136 141 LYS . 19209 1 137 142 ILE . 19209 1 138 143 GLU . 19209 1 139 144 ALA . 19209 1 140 145 CYS . 19209 1 141 146 ALA . 19209 1 142 147 CYS . 19209 1 143 148 GLN . 19209 1 144 149 SER . 19209 1 145 150 TYR . 19209 1 146 151 PHE . 19209 1 147 152 ASP . 19209 1 148 153 ALA . 19209 1 149 154 VAL . 19209 1 150 155 VAL . 19209 1 151 156 VAL . 19209 1 152 157 GLY . 19209 1 153 158 GLY . 19209 1 154 159 GLU . 19209 1 155 160 GLN . 19209 1 156 161 ARG . 19209 1 157 162 GLU . 19209 1 158 163 GLU . 19209 1 159 164 LYS . 19209 1 160 165 PRO . 19209 1 161 166 ALA . 19209 1 162 167 PRO . 19209 1 163 168 SER . 19209 1 164 169 ILE . 19209 1 165 170 PHE . 19209 1 166 171 TYR . 19209 1 167 172 TYR . 19209 1 168 173 CYS . 19209 1 169 174 CYS . 19209 1 170 175 ASN . 19209 1 171 176 LEU . 19209 1 172 177 LEU . 19209 1 173 178 GLY . 19209 1 174 179 VAL . 19209 1 175 180 GLN . 19209 1 176 181 PRO . 19209 1 177 182 GLY . 19209 1 178 183 ASP . 19209 1 179 184 CYS . 19209 1 180 185 VAL . 19209 1 181 186 MET . 19209 1 182 187 VAL . 19209 1 183 188 GLY . 19209 1 184 189 ASP . 19209 1 185 190 THR . 19209 1 186 191 LEU . 19209 1 187 192 GLU . 19209 1 188 193 THR . 19209 1 189 194 ASP . 19209 1 190 195 ILE . 19209 1 191 196 GLN . 19209 1 192 197 GLY . 19209 1 193 198 GLY . 19209 1 194 199 LEU . 19209 1 195 200 ASN . 19209 1 196 201 ALA . 19209 1 197 202 GLY . 19209 1 198 203 LEU . 19209 1 199 204 LYS . 19209 1 200 205 ALA . 19209 1 201 206 THR . 19209 1 202 207 VAL . 19209 1 203 208 TRP . 19209 1 204 209 ILE . 19209 1 205 210 ASN . 19209 1 206 211 LYS . 19209 1 207 212 ASN . 19209 1 208 213 GLY . 19209 1 209 214 ILE . 19209 1 210 215 VAL . 19209 1 211 216 PRO . 19209 1 212 217 LEU . 19209 1 213 218 LYS . 19209 1 214 219 SER . 19209 1 215 220 SER . 19209 1 216 221 PRO . 19209 1 217 222 VAL . 19209 1 218 223 PRO . 19209 1 219 224 HIS . 19209 1 220 225 TYR . 19209 1 221 226 MET . 19209 1 222 227 VAL . 19209 1 223 228 SER . 19209 1 224 229 SER . 19209 1 225 230 VAL . 19209 1 226 231 LEU . 19209 1 227 232 GLU . 19209 1 228 233 LEU . 19209 1 229 234 PRO . 19209 1 230 235 ALA . 19209 1 231 236 LEU . 19209 1 232 237 LEU . 19209 1 233 238 GLN . 19209 1 234 239 SER . 19209 1 235 240 ILE . 19209 1 236 241 ASP . 19209 1 237 242 CYS . 19209 1 238 243 LEU . 19209 1 239 244 VAL . 19209 1 240 245 PRO . 19209 1 241 246 ARG . 19209 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 19209 1 . ARG 2 2 19209 1 . ALA 3 3 19209 1 . VAL 4 4 19209 1 . PHE 5 5 19209 1 . PHE 6 6 19209 1 . ASP 7 7 19209 1 . LEU 8 8 19209 1 . ASP 9 9 19209 1 . ASN 10 10 19209 1 . THR 11 11 19209 1 . LEU 12 12 19209 1 . ILE 13 13 19209 1 . ASP 14 14 19209 1 . THR 15 15 19209 1 . ALA 16 16 19209 1 . GLY 17 17 19209 1 . ALA 18 18 19209 1 . SER 19 19 19209 1 . ARG 20 20 19209 1 . ARG 21 21 19209 1 . GLY 22 22 19209 1 . MET 23 23 19209 1 . LEU 24 24 19209 1 . GLU 25 25 19209 1 . VAL 26 26 19209 1 . ILE 27 27 19209 1 . LYS 28 28 19209 1 . LEU 29 29 19209 1 . LEU 30 30 19209 1 . GLN 31 31 19209 1 . SER 32 32 19209 1 . LYS 33 33 19209 1 . TYR 34 34 19209 1 . HIS 35 35 19209 1 . TYR 36 36 19209 1 . LYS 37 37 19209 1 . GLU 38 38 19209 1 . GLU 39 39 19209 1 . ALA 40 40 19209 1 . GLU 41 41 19209 1 . ILE 42 42 19209 1 . ILE 43 43 19209 1 . CYS 44 44 19209 1 . ASP 45 45 19209 1 . LYS 46 46 19209 1 . VAL 47 47 19209 1 . GLN 48 48 19209 1 . VAL 49 49 19209 1 . LYS 50 50 19209 1 . LEU 51 51 19209 1 . SER 52 52 19209 1 . LYS 53 53 19209 1 . GLU 54 54 19209 1 . CYS 55 55 19209 1 . PHE 56 56 19209 1 . HIS 57 57 19209 1 . PRO 58 58 19209 1 . TYR 59 59 19209 1 . ASN 60 60 19209 1 . THR 61 61 19209 1 . CYS 62 62 19209 1 . ILE 63 63 19209 1 . THR 64 64 19209 1 . ASP 65 65 19209 1 . LEU 66 66 19209 1 . ARG 67 67 19209 1 . THR 68 68 19209 1 . SER 69 69 19209 1 . HIS 70 70 19209 1 . TRP 71 71 19209 1 . GLU 72 72 19209 1 . GLU 73 73 19209 1 . ALA 74 74 19209 1 . ILE 75 75 19209 1 . GLN 76 76 19209 1 . GLU 77 77 19209 1 . THR 78 78 19209 1 . LYS 79 79 19209 1 . GLY 80 80 19209 1 . GLY 81 81 19209 1 . ALA 82 82 19209 1 . ALA 83 83 19209 1 . ASN 84 84 19209 1 . ARG 85 85 19209 1 . LYS 86 86 19209 1 . LEU 87 87 19209 1 . ALA 88 88 19209 1 . GLU 89 89 19209 1 . GLU 90 90 19209 1 . CYS 91 91 19209 1 . TYR 92 92 19209 1 . PHE 93 93 19209 1 . LEU 94 94 19209 1 . TRP 95 95 19209 1 . LYS 96 96 19209 1 . SER 97 97 19209 1 . THR 98 98 19209 1 . ARG 99 99 19209 1 . LEU 100 100 19209 1 . GLN 101 101 19209 1 . HIS 102 102 19209 1 . MET 103 103 19209 1 . THR 104 104 19209 1 . LEU 105 105 19209 1 . ALA 106 106 19209 1 . GLU 107 107 19209 1 . ASP 108 108 19209 1 . VAL 109 109 19209 1 . LYS 110 110 19209 1 . ALA 111 111 19209 1 . MET 112 112 19209 1 . LEU 113 113 19209 1 . THR 114 114 19209 1 . GLU 115 115 19209 1 . LEU 116 116 19209 1 . ARG 117 117 19209 1 . LYS 118 118 19209 1 . GLU 119 119 19209 1 . VAL 120 120 19209 1 . ARG 121 121 19209 1 . LEU 122 122 19209 1 . LEU 123 123 19209 1 . LEU 124 124 19209 1 . LEU 125 125 19209 1 . THR 126 126 19209 1 . ASN 127 127 19209 1 . GLY 128 128 19209 1 . ASP 129 129 19209 1 . ARG 130 130 19209 1 . GLN 131 131 19209 1 . THR 132 132 19209 1 . GLN 133 133 19209 1 . ARG 134 134 19209 1 . GLU 135 135 19209 1 . LYS 136 136 19209 1 . ILE 137 137 19209 1 . GLU 138 138 19209 1 . ALA 139 139 19209 1 . CYS 140 140 19209 1 . ALA 141 141 19209 1 . CYS 142 142 19209 1 . GLN 143 143 19209 1 . SER 144 144 19209 1 . TYR 145 145 19209 1 . PHE 146 146 19209 1 . ASP 147 147 19209 1 . ALA 148 148 19209 1 . VAL 149 149 19209 1 . VAL 150 150 19209 1 . VAL 151 151 19209 1 . GLY 152 152 19209 1 . GLY 153 153 19209 1 . GLU 154 154 19209 1 . GLN 155 155 19209 1 . ARG 156 156 19209 1 . GLU 157 157 19209 1 . GLU 158 158 19209 1 . LYS 159 159 19209 1 . PRO 160 160 19209 1 . ALA 161 161 19209 1 . PRO 162 162 19209 1 . SER 163 163 19209 1 . ILE 164 164 19209 1 . PHE 165 165 19209 1 . TYR 166 166 19209 1 . TYR 167 167 19209 1 . CYS 168 168 19209 1 . CYS 169 169 19209 1 . ASN 170 170 19209 1 . LEU 171 171 19209 1 . LEU 172 172 19209 1 . GLY 173 173 19209 1 . VAL 174 174 19209 1 . GLN 175 175 19209 1 . PRO 176 176 19209 1 . GLY 177 177 19209 1 . ASP 178 178 19209 1 . CYS 179 179 19209 1 . VAL 180 180 19209 1 . MET 181 181 19209 1 . VAL 182 182 19209 1 . GLY 183 183 19209 1 . ASP 184 184 19209 1 . THR 185 185 19209 1 . LEU 186 186 19209 1 . GLU 187 187 19209 1 . THR 188 188 19209 1 . ASP 189 189 19209 1 . ILE 190 190 19209 1 . GLN 191 191 19209 1 . GLY 192 192 19209 1 . GLY 193 193 19209 1 . LEU 194 194 19209 1 . ASN 195 195 19209 1 . ALA 196 196 19209 1 . GLY 197 197 19209 1 . LEU 198 198 19209 1 . LYS 199 199 19209 1 . ALA 200 200 19209 1 . THR 201 201 19209 1 . VAL 202 202 19209 1 . TRP 203 203 19209 1 . ILE 204 204 19209 1 . ASN 205 205 19209 1 . LYS 206 206 19209 1 . ASN 207 207 19209 1 . GLY 208 208 19209 1 . ILE 209 209 19209 1 . VAL 210 210 19209 1 . PRO 211 211 19209 1 . LEU 212 212 19209 1 . LYS 213 213 19209 1 . SER 214 214 19209 1 . SER 215 215 19209 1 . PRO 216 216 19209 1 . VAL 217 217 19209 1 . PRO 218 218 19209 1 . HIS 219 219 19209 1 . TYR 220 220 19209 1 . MET 221 221 19209 1 . VAL 222 222 19209 1 . SER 223 223 19209 1 . SER 224 224 19209 1 . VAL 225 225 19209 1 . LEU 226 226 19209 1 . GLU 227 227 19209 1 . LEU 228 228 19209 1 . PRO 229 229 19209 1 . ALA 230 230 19209 1 . LEU 231 231 19209 1 . LEU 232 232 19209 1 . GLN 233 233 19209 1 . SER 234 234 19209 1 . ILE 235 235 19209 1 . ASP 236 236 19209 1 . CYS 237 237 19209 1 . LEU 238 238 19209 1 . VAL 239 239 19209 1 . PRO 240 240 19209 1 . ARG 241 241 19209 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19209 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 19209 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 19209 2 CA 'Three letter code' 19209 2 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 1 CA $chem_comp_CA 19209 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 19209 2 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 19209 _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 $HDHD4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19209 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 19209 _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 $HDHD4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28b . . . . . . 19209 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 19209 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 19209 CA [Ca++] SMILES CACTVS 3.341 19209 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19209 CA [Ca+2] SMILES ACDLabs 10.04 19209 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19209 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19209 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19209 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 19209 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19209 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19209 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19209 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'apo HDHD4, 1.0 mM, 2H/13C/15N labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 HDHD4 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $HDHD4 . . 1.0 . . mM . . . . 19209 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19209 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19209 1 4 d-TrisHCL 'natural abundance' . . . . . . 25 . . mM . . . . 19209 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19209 1 6 d-DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19209 1 7 d-BME 'natural abundance' . . . . . . 1 . . mM . . . . 19209 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 19209 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM d-TrisHCL, 50 mM NaCl, 5 mM d-DTT, 1 mM d-BME, pH7.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19209 1 pH 7.5 . pH 19209 1 pressure 1 . atm 19209 1 temperature 293 . K 19209 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19209 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details 'in-house modified' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19209 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19209 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 19209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19209 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19209 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 19209 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19209 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19209 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19209 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19209 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19209 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 19209 _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 0.0 internal indirect 0.251449530 . . . . . . . . . 19209 1 H 1 water protons . . . . ppm 4.84 internal direct 1 . . . . . . . . . 19209 1 N 15 water protons . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19209 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 19209 _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 '3D HNCO' . . . 19209 1 2 '3D HNCA' . . . 19209 1 3 '3D HNCACB' . . . 19209 1 4 '3D HCACO' . . . 19209 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 4 4 VAL C C 13 173.60 0.30 . 1 . . . . 9 VAL C . 19209 1 2 . 1 1 4 4 VAL CA C 13 60.60 0.30 . 1 . . . . 9 VAL CA . 19209 1 3 . 1 1 4 4 VAL CB C 13 33.25 0.30 . 1 . . . . 9 VAL CB . 19209 1 4 . 1 1 5 5 PHE H H 1 9.44 0.02 . 1 . . . . 10 PHE H . 19209 1 5 . 1 1 5 5 PHE C C 13 173.90 0.30 . 1 . . . . 10 PHE C . 19209 1 6 . 1 1 5 5 PHE CA C 13 50.93 0.30 . 1 . . . . 10 PHE CA . 19209 1 7 . 1 1 5 5 PHE CB C 13 38.93 0.30 . 1 . . . . 10 PHE CB . 19209 1 8 . 1 1 5 5 PHE N N 15 127.30 0.15 . 1 . . . . 10 PHE N . 19209 1 9 . 1 1 6 6 PHE H H 1 9.29 0.02 . 1 . . . . 11 PHE H . 19209 1 10 . 1 1 6 6 PHE C C 13 175.70 0.30 . 1 . . . . 11 PHE C . 19209 1 11 . 1 1 6 6 PHE CA C 13 56.87 0.30 . 1 . . . . 11 PHE CA . 19209 1 12 . 1 1 6 6 PHE CB C 13 43.06 0.30 . 1 . . . . 11 PHE CB . 19209 1 13 . 1 1 6 6 PHE N N 15 120.50 0.15 . 1 . . . . 11 PHE N . 19209 1 14 . 1 1 7 7 ASP H H 1 8.78 0.02 . 1 . . . . 12 ASP H . 19209 1 15 . 1 1 7 7 ASP C C 13 171.60 0.30 . 1 . . . . 12 ASP C . 19209 1 16 . 1 1 7 7 ASP CA C 13 52.19 0.30 . 1 . . . . 12 ASP CA . 19209 1 17 . 1 1 7 7 ASP CB C 13 40.45 0.30 . 1 . . . . 12 ASP CB . 19209 1 18 . 1 1 7 7 ASP N N 15 120.90 0.15 . 1 . . . . 12 ASP N . 19209 1 19 . 1 1 8 8 LEU H H 1 8.93 0.02 . 1 . . . . 13 LEU H . 19209 1 20 . 1 1 8 8 LEU C C 13 179.50 0.30 . 1 . . . . 13 LEU C . 19209 1 21 . 1 1 8 8 LEU CA C 13 55.01 0.30 . 1 . . . . 13 LEU CA . 19209 1 22 . 1 1 8 8 LEU CB C 13 44.02 0.30 . 1 . . . . 13 LEU CB . 19209 1 23 . 1 1 8 8 LEU N N 15 114.40 0.15 . 1 . . . . 13 LEU N . 19209 1 24 . 1 1 9 9 ASP H H 1 9.65 0.02 . 1 . . . . 14 ASP H . 19209 1 25 . 1 1 9 9 ASP C C 13 179.30 0.30 . 1 . . . . 14 ASP C . 19209 1 26 . 1 1 9 9 ASP CA C 13 58.03 0.30 . 1 . . . . 14 ASP CA . 19209 1 27 . 1 1 9 9 ASP CB C 13 39.88 0.30 . 1 . . . . 14 ASP CB . 19209 1 28 . 1 1 9 9 ASP N N 15 119.40 0.15 . 1 . . . . 14 ASP N . 19209 1 29 . 1 1 10 10 ASN H H 1 8.56 0.02 . 1 . . . . 15 ASN H . 19209 1 30 . 1 1 10 10 ASN C C 13 173.70 0.30 . 1 . . . . 15 ASN C . 19209 1 31 . 1 1 10 10 ASN CA C 13 57.79 0.30 . 1 . . . . 15 ASN CA . 19209 1 32 . 1 1 10 10 ASN CB C 13 36.57 0.30 . 1 . . . . 15 ASN CB . 19209 1 33 . 1 1 10 10 ASN N N 15 118.60 0.15 . 1 . . . . 15 ASN N . 19209 1 34 . 1 1 11 11 THR H H 1 7.63 0.02 . 1 . . . . 16 THR H . 19209 1 35 . 1 1 11 11 THR C C 13 175.30 0.30 . 1 . . . . 16 THR C . 19209 1 36 . 1 1 11 11 THR CA C 13 63.15 0.30 . 1 . . . . 16 THR CA . 19209 1 37 . 1 1 11 11 THR CB C 13 67.71 0.30 . 1 . . . . 16 THR CB . 19209 1 38 . 1 1 11 11 THR N N 15 115.40 0.15 . 1 . . . . 16 THR N . 19209 1 39 . 1 1 12 12 LEU H H 1 8.13 0.02 . 1 . . . . 17 LEU H . 19209 1 40 . 1 1 12 12 LEU C C 13 175.90 0.30 . 1 . . . . 17 LEU C . 19209 1 41 . 1 1 12 12 LEU CA C 13 55.68 0.30 . 1 . . . . 17 LEU CA . 19209 1 42 . 1 1 12 12 LEU CB C 13 41.73 0.30 . 1 . . . . 17 LEU CB . 19209 1 43 . 1 1 12 12 LEU N N 15 119.70 0.15 . 1 . . . . 17 LEU N . 19209 1 44 . 1 1 13 13 ILE H H 1 7.15 0.02 . 1 . . . . 18 ILE H . 19209 1 45 . 1 1 13 13 ILE C C 13 175.90 0.30 . 1 . . . . 18 ILE C . 19209 1 46 . 1 1 13 13 ILE CA C 13 58.04 0.30 . 1 . . . . 18 ILE CA . 19209 1 47 . 1 1 13 13 ILE CB C 13 41.92 0.30 . 1 . . . . 18 ILE CB . 19209 1 48 . 1 1 13 13 ILE N N 15 106.00 0.15 . 1 . . . . 18 ILE N . 19209 1 49 . 1 1 14 14 ASP H H 1 9.29 0.02 . 1 . . . . 19 ASP H . 19209 1 50 . 1 1 14 14 ASP C C 13 176.00 0.30 . 1 . . . . 19 ASP C . 19209 1 51 . 1 1 14 14 ASP CA C 13 51.12 0.30 . 1 . . . . 19 ASP CA . 19209 1 52 . 1 1 14 14 ASP CB C 13 37.73 0.30 . 1 . . . . 19 ASP CB . 19209 1 53 . 1 1 14 14 ASP N N 15 123.50 0.15 . 1 . . . . 19 ASP N . 19209 1 54 . 1 1 15 15 THR H H 1 8.01 0.02 . 1 . . . . 20 THR H . 19209 1 55 . 1 1 15 15 THR C C 13 177.60 0.30 . 1 . . . . 20 THR C . 19209 1 56 . 1 1 15 15 THR CA C 13 67.08 0.30 . 1 . . . . 20 THR CA . 19209 1 57 . 1 1 15 15 THR CB C 13 67.24 0.30 . 1 . . . . 20 THR CB . 19209 1 58 . 1 1 15 15 THR N N 15 123.10 0.15 . 1 . . . . 20 THR N . 19209 1 59 . 1 1 16 16 ALA H H 1 9.11 0.02 . 1 . . . . 21 ALA H . 19209 1 60 . 1 1 16 16 ALA C C 13 181.10 0.30 . 1 . . . . 21 ALA C . 19209 1 61 . 1 1 16 16 ALA CA C 13 55.07 0.30 . 1 . . . . 21 ALA CA . 19209 1 62 . 1 1 16 16 ALA CB C 13 17.18 0.30 . 1 . . . . 21 ALA CB . 19209 1 63 . 1 1 16 16 ALA N N 15 125.90 0.15 . 1 . . . . 21 ALA N . 19209 1 64 . 1 1 17 17 GLY H H 1 8.54 0.02 . 1 . . . . 22 GLY H . 19209 1 65 . 1 1 17 17 GLY C C 13 177.10 0.30 . 1 . . . . 22 GLY C . 19209 1 66 . 1 1 17 17 GLY CA C 13 46.73 0.30 . 1 . . . . 22 GLY CA . 19209 1 67 . 1 1 17 17 GLY N N 15 109.80 0.15 . 1 . . . . 22 GLY N . 19209 1 68 . 1 1 18 18 ALA H H 1 8.71 0.02 . 1 . . . . 23 ALA H . 19209 1 69 . 1 1 18 18 ALA C C 13 179.90 0.30 . 1 . . . . 23 ALA C . 19209 1 70 . 1 1 18 18 ALA CA C 13 54.91 0.30 . 1 . . . . 23 ALA CA . 19209 1 71 . 1 1 18 18 ALA CB C 13 18.39 0.30 . 1 . . . . 23 ALA CB . 19209 1 72 . 1 1 18 18 ALA N N 15 126.20 0.15 . 1 . . . . 23 ALA N . 19209 1 73 . 1 1 19 19 SER H H 1 8.37 0.02 . 1 . . . . 24 SER H . 19209 1 74 . 1 1 19 19 SER C C 13 176.10 0.30 . 1 . . . . 24 SER C . 19209 1 75 . 1 1 19 19 SER CA C 13 61.93 0.30 . 1 . . . . 24 SER CA . 19209 1 76 . 1 1 19 19 SER N N 15 113.60 0.15 . 1 . . . . 24 SER N . 19209 1 77 . 1 1 20 20 ARG H H 1 7.89 0.02 . 1 . . . . 25 ARG H . 19209 1 78 . 1 1 20 20 ARG C C 13 178.80 0.30 . 1 . . . . 25 ARG C . 19209 1 79 . 1 1 20 20 ARG CA C 13 58.45 0.30 . 1 . . . . 25 ARG CA . 19209 1 80 . 1 1 20 20 ARG CB C 13 28.26 0.30 . 1 . . . . 25 ARG CB . 19209 1 81 . 1 1 20 20 ARG N N 15 121.90 0.15 . 1 . . . . 25 ARG N . 19209 1 82 . 1 1 21 21 ARG H H 1 7.99 0.02 . 1 . . . . 26 ARG H . 19209 1 83 . 1 1 21 21 ARG C C 13 179.70 0.30 . 1 . . . . 26 ARG C . 19209 1 84 . 1 1 21 21 ARG CA C 13 58.36 0.30 . 1 . . . . 26 ARG CA . 19209 1 85 . 1 1 21 21 ARG CB C 13 27.48 0.30 . 1 . . . . 26 ARG CB . 19209 1 86 . 1 1 21 21 ARG N N 15 118.90 0.15 . 1 . . . . 26 ARG N . 19209 1 87 . 1 1 22 22 GLY H H 1 8.15 0.02 . 1 . . . . 27 GLY H . 19209 1 88 . 1 1 22 22 GLY C C 13 175.00 0.30 . 1 . . . . 27 GLY C . 19209 1 89 . 1 1 22 22 GLY CA C 13 47.80 0.30 . 1 . . . . 27 GLY CA . 19209 1 90 . 1 1 22 22 GLY N N 15 106.70 0.15 . 1 . . . . 27 GLY N . 19209 1 91 . 1 1 23 23 MET H H 1 8.39 0.02 . 1 . . . . 28 MET H . 19209 1 92 . 1 1 23 23 MET C C 13 178.30 0.30 . 1 . . . . 28 MET C . 19209 1 93 . 1 1 23 23 MET CA C 13 57.43 0.30 . 1 . . . . 28 MET CA . 19209 1 94 . 1 1 23 23 MET CB C 13 30.83 0.30 . 1 . . . . 28 MET CB . 19209 1 95 . 1 1 23 23 MET N N 15 120.10 0.15 . 1 . . . . 28 MET N . 19209 1 96 . 1 1 24 24 LEU H H 1 8.55 0.02 . 1 . . . . 29 LEU H . 19209 1 97 . 1 1 24 24 LEU C C 13 180.60 0.30 . 1 . . . . 29 LEU C . 19209 1 98 . 1 1 24 24 LEU CA C 13 57.68 0.30 . 1 . . . . 29 LEU CA . 19209 1 99 . 1 1 24 24 LEU CB C 13 40.20 0.30 . 1 . . . . 29 LEU CB . 19209 1 100 . 1 1 24 24 LEU N N 15 118.40 0.15 . 1 . . . . 29 LEU N . 19209 1 101 . 1 1 25 25 GLU H H 1 7.93 0.02 . 1 . . . . 30 GLU H . 19209 1 102 . 1 1 25 25 GLU C C 13 179.30 0.30 . 1 . . . . 30 GLU C . 19209 1 103 . 1 1 25 25 GLU CA C 13 57.90 0.30 . 1 . . . . 30 GLU CA . 19209 1 104 . 1 1 25 25 GLU CB C 13 27.81 0.30 . 1 . . . . 30 GLU CB . 19209 1 105 . 1 1 25 25 GLU N N 15 118.00 0.15 . 1 . . . . 30 GLU N . 19209 1 106 . 1 1 26 26 VAL H H 1 8.07 0.02 . 1 . . . . 31 VAL H . 19209 1 107 . 1 1 26 26 VAL C C 13 177.80 0.30 . 1 . . . . 31 VAL C . 19209 1 108 . 1 1 26 26 VAL CA C 13 66.90 0.30 . 1 . . . . 31 VAL CA . 19209 1 109 . 1 1 26 26 VAL CB C 13 29.94 0.30 . 1 . . . . 31 VAL CB . 19209 1 110 . 1 1 26 26 VAL N N 15 122.90 0.15 . 1 . . . . 31 VAL N . 19209 1 111 . 1 1 27 27 ILE H H 1 8.94 0.02 . 1 . . . . 32 ILE H . 19209 1 112 . 1 1 27 27 ILE C C 13 177.50 0.30 . 1 . . . . 32 ILE C . 19209 1 113 . 1 1 27 27 ILE CA C 13 66.77 0.30 . 1 . . . . 32 ILE CA . 19209 1 114 . 1 1 27 27 ILE CB C 13 37.18 0.30 . 1 . . . . 32 ILE CB . 19209 1 115 . 1 1 27 27 ILE N N 15 121.80 0.15 . 1 . . . . 32 ILE N . 19209 1 116 . 1 1 28 28 LYS H H 1 7.59 0.02 . 1 . . . . 33 LYS H . 19209 1 117 . 1 1 28 28 LYS C C 13 179.70 0.30 . 1 . . . . 33 LYS C . 19209 1 118 . 1 1 28 28 LYS CA C 13 59.23 0.30 . 1 . . . . 33 LYS CA . 19209 1 119 . 1 1 28 28 LYS CB C 13 30.82 0.30 . 1 . . . . 33 LYS CB . 19209 1 120 . 1 1 28 28 LYS N N 15 117.20 0.15 . 1 . . . . 33 LYS N . 19209 1 121 . 1 1 29 29 LEU H H 1 8.02 0.02 . 1 . . . . 34 LEU H . 19209 1 122 . 1 1 29 29 LEU C C 13 178.90 0.30 . 1 . . . . 34 LEU C . 19209 1 123 . 1 1 29 29 LEU CA C 13 57.95 0.30 . 1 . . . . 34 LEU CA . 19209 1 124 . 1 1 29 29 LEU CB C 13 41.11 0.30 . 1 . . . . 34 LEU CB . 19209 1 125 . 1 1 29 29 LEU N N 15 123.80 0.15 . 1 . . . . 34 LEU N . 19209 1 126 . 1 1 30 30 LEU H H 1 9.05 0.02 . 1 . . . . 35 LEU H . 19209 1 127 . 1 1 30 30 LEU C C 13 180.10 0.30 . 1 . . . . 35 LEU C . 19209 1 128 . 1 1 30 30 LEU CA C 13 57.64 0.30 . 1 . . . . 35 LEU CA . 19209 1 129 . 1 1 30 30 LEU CB C 13 40.11 0.30 . 1 . . . . 35 LEU CB . 19209 1 130 . 1 1 30 30 LEU N N 15 118.00 0.15 . 1 . . . . 35 LEU N . 19209 1 131 . 1 1 31 31 GLN H H 1 8.58 0.02 . 1 . . . . 36 GLN H . 19209 1 132 . 1 1 31 31 GLN C C 13 178.40 0.30 . 1 . . . . 36 GLN C . 19209 1 133 . 1 1 31 31 GLN CA C 13 57.73 0.30 . 1 . . . . 36 GLN CA . 19209 1 134 . 1 1 31 31 GLN CB C 13 27.29 0.30 . 1 . . . . 36 GLN CB . 19209 1 135 . 1 1 31 31 GLN N N 15 115.20 0.15 . 1 . . . . 36 GLN N . 19209 1 136 . 1 1 32 32 SER H H 1 8.57 0.02 . 1 . . . . 37 SER H . 19209 1 137 . 1 1 32 32 SER C C 13 174.90 0.30 . 1 . . . . 37 SER C . 19209 1 138 . 1 1 32 32 SER CA C 13 60.00 0.30 . 1 . . . . 37 SER CA . 19209 1 139 . 1 1 32 32 SER CB C 13 62.92 0.30 . 1 . . . . 37 SER CB . 19209 1 140 . 1 1 32 32 SER N N 15 114.30 0.15 . 1 . . . . 37 SER N . 19209 1 141 . 1 1 33 33 LYS H H 1 8.53 0.02 . 1 . . . . 38 LYS H . 19209 1 142 . 1 1 33 33 LYS C C 13 177.10 0.30 . 1 . . . . 38 LYS C . 19209 1 143 . 1 1 33 33 LYS CA C 13 57.32 0.30 . 1 . . . . 38 LYS CA . 19209 1 144 . 1 1 33 33 LYS CB C 13 32.50 0.30 . 1 . . . . 38 LYS CB . 19209 1 145 . 1 1 33 33 LYS N N 15 121.70 0.15 . 1 . . . . 38 LYS N . 19209 1 146 . 1 1 34 34 TYR H H 1 6.40 0.02 . 1 . . . . 39 TYR H . 19209 1 147 . 1 1 34 34 TYR C C 13 175.10 0.30 . 1 . . . . 39 TYR C . 19209 1 148 . 1 1 34 34 TYR CA C 13 57.53 0.30 . 1 . . . . 39 TYR CA . 19209 1 149 . 1 1 34 34 TYR CB C 13 38.07 0.30 . 1 . . . . 39 TYR CB . 19209 1 150 . 1 1 34 34 TYR N N 15 112.00 0.15 . 1 . . . . 39 TYR N . 19209 1 151 . 1 1 35 35 HIS H H 1 6.84 0.02 . 1 . . . . 40 HIS H . 19209 1 152 . 1 1 35 35 HIS C C 13 175.70 0.30 . 1 . . . . 40 HIS C . 19209 1 153 . 1 1 35 35 HIS CA C 13 57.12 0.30 . 1 . . . . 40 HIS CA . 19209 1 154 . 1 1 35 35 HIS CB C 13 26.35 0.30 . 1 . . . . 40 HIS CB . 19209 1 155 . 1 1 35 35 HIS N N 15 112.50 0.15 . 1 . . . . 40 HIS N . 19209 1 156 . 1 1 36 36 TYR H H 1 8.71 0.02 . 1 . . . . 41 TYR H . 19209 1 157 . 1 1 36 36 TYR C C 13 176.20 0.30 . 1 . . . . 41 TYR C . 19209 1 158 . 1 1 36 36 TYR CA C 13 56.89 0.30 . 1 . . . . 41 TYR CA . 19209 1 159 . 1 1 36 36 TYR CB C 13 37.28 0.30 . 1 . . . . 41 TYR CB . 19209 1 160 . 1 1 36 36 TYR N N 15 121.60 0.15 . 1 . . . . 41 TYR N . 19209 1 161 . 1 1 37 37 LYS H H 1 8.70 0.02 . 1 . . . . 42 LYS H . 19209 1 162 . 1 1 37 37 LYS C C 13 178.60 0.30 . 1 . . . . 42 LYS C . 19209 1 163 . 1 1 37 37 LYS CA C 13 55.00 0.30 . 1 . . . . 42 LYS CA . 19209 1 164 . 1 1 37 37 LYS CB C 13 29.83 0.30 . 1 . . . . 42 LYS CB . 19209 1 165 . 1 1 37 37 LYS N N 15 121.70 0.15 . 1 . . . . 42 LYS N . 19209 1 166 . 1 1 38 38 GLU H H 1 9.48 0.02 . 1 . . . . 43 GLU H . 19209 1 167 . 1 1 38 38 GLU C C 13 177.50 0.30 . 1 . . . . 43 GLU C . 19209 1 168 . 1 1 38 38 GLU CA C 13 59.38 0.30 . 1 . . . . 43 GLU CA . 19209 1 169 . 1 1 38 38 GLU CB C 13 27.13 0.30 . 1 . . . . 43 GLU CB . 19209 1 170 . 1 1 38 38 GLU N N 15 125.50 0.15 . 1 . . . . 43 GLU N . 19209 1 171 . 1 1 39 39 GLU H H 1 10.53 0.02 . 1 . . . . 44 GLU H . 19209 1 172 . 1 1 39 39 GLU C C 13 177.90 0.30 . 1 . . . . 44 GLU C . 19209 1 173 . 1 1 39 39 GLU CA C 13 57.91 0.30 . 1 . . . . 44 GLU CA . 19209 1 174 . 1 1 39 39 GLU CB C 13 26.67 0.30 . 1 . . . . 44 GLU CB . 19209 1 175 . 1 1 39 39 GLU N N 15 121.80 0.15 . 1 . . . . 44 GLU N . 19209 1 176 . 1 1 40 40 ALA H H 1 8.11 0.02 . 1 . . . . 45 ALA H . 19209 1 177 . 1 1 40 40 ALA C C 13 178.40 0.30 . 1 . . . . 45 ALA C . 19209 1 178 . 1 1 40 40 ALA CA C 13 55.39 0.30 . 1 . . . . 45 ALA CA . 19209 1 179 . 1 1 40 40 ALA CB C 13 19.17 0.30 . 1 . . . . 45 ALA CB . 19209 1 180 . 1 1 40 40 ALA N N 15 122.30 0.15 . 1 . . . . 45 ALA N . 19209 1 181 . 1 1 41 41 GLU H H 1 8.09 0.02 . 1 . . . . 46 GLU H . 19209 1 182 . 1 1 41 41 GLU C C 13 178.30 0.30 . 1 . . . . 46 GLU C . 19209 1 183 . 1 1 41 41 GLU CA C 13 59.19 0.30 . 1 . . . . 46 GLU CA . 19209 1 184 . 1 1 41 41 GLU CB C 13 28.65 0.30 . 1 . . . . 46 GLU CB . 19209 1 185 . 1 1 41 41 GLU N N 15 115.90 0.15 . 1 . . . . 46 GLU N . 19209 1 186 . 1 1 42 42 ILE H H 1 6.97 0.02 . 1 . . . . 47 ILE H . 19209 1 187 . 1 1 42 42 ILE C C 13 178.70 0.30 . 1 . . . . 47 ILE C . 19209 1 188 . 1 1 42 42 ILE CA C 13 63.68 0.30 . 1 . . . . 47 ILE CA . 19209 1 189 . 1 1 42 42 ILE CB C 13 36.95 0.30 . 1 . . . . 47 ILE CB . 19209 1 190 . 1 1 42 42 ILE N N 15 119.10 0.15 . 1 . . . . 47 ILE N . 19209 1 191 . 1 1 43 43 ILE H H 1 8.02 0.02 . 1 . . . . 48 ILE H . 19209 1 192 . 1 1 43 43 ILE C C 13 177.20 0.30 . 1 . . . . 48 ILE C . 19209 1 193 . 1 1 43 43 ILE CA C 13 65.42 0.30 . 1 . . . . 48 ILE CA . 19209 1 194 . 1 1 43 43 ILE CB C 13 37.47 0.30 . 1 . . . . 48 ILE CB . 19209 1 195 . 1 1 43 43 ILE N N 15 119.80 0.15 . 1 . . . . 48 ILE N . 19209 1 196 . 1 1 44 44 CYS H H 1 7.39 0.02 . 1 . . . . 49 CYS H . 19209 1 197 . 1 1 44 44 CYS C C 13 177.00 0.30 . 1 . . . . 49 CYS C . 19209 1 198 . 1 1 44 44 CYS CA C 13 63.80 0.30 . 1 . . . . 49 CYS CA . 19209 1 199 . 1 1 44 44 CYS CB C 13 26.61 0.30 . 1 . . . . 49 CYS CB . 19209 1 200 . 1 1 44 44 CYS N N 15 116.10 0.15 . 1 . . . . 49 CYS N . 19209 1 201 . 1 1 45 45 ASP H H 1 8.34 0.02 . 1 . . . . 50 ASP H . 19209 1 202 . 1 1 45 45 ASP C C 13 179.00 0.30 . 1 . . . . 50 ASP C . 19209 1 203 . 1 1 45 45 ASP CA C 13 57.21 0.30 . 1 . . . . 50 ASP CA . 19209 1 204 . 1 1 45 45 ASP CB C 13 39.45 0.30 . 1 . . . . 50 ASP CB . 19209 1 205 . 1 1 45 45 ASP N N 15 121.20 0.15 . 1 . . . . 50 ASP N . 19209 1 206 . 1 1 46 46 LYS H H 1 8.13 0.02 . 1 . . . . 51 LYS H . 19209 1 207 . 1 1 46 46 LYS C C 13 180.30 0.30 . 1 . . . . 51 LYS C . 19209 1 208 . 1 1 46 46 LYS CA C 13 58.83 0.30 . 1 . . . . 51 LYS CA . 19209 1 209 . 1 1 46 46 LYS CB C 13 32.51 0.30 . 1 . . . . 51 LYS CB . 19209 1 210 . 1 1 46 46 LYS N N 15 119.60 0.15 . 1 . . . . 51 LYS N . 19209 1 211 . 1 1 47 47 VAL H H 1 7.87 0.02 . 1 . . . . 52 VAL H . 19209 1 212 . 1 1 47 47 VAL C C 13 176.70 0.30 . 1 . . . . 52 VAL C . 19209 1 213 . 1 1 47 47 VAL CA C 13 66.81 0.30 . 1 . . . . 52 VAL CA . 19209 1 214 . 1 1 47 47 VAL CB C 13 29.09 0.30 . 1 . . . . 52 VAL CB . 19209 1 215 . 1 1 47 47 VAL N N 15 120.70 0.15 . 1 . . . . 52 VAL N . 19209 1 216 . 1 1 48 48 GLN H H 1 8.03 0.02 . 1 . . . . 53 GLN H . 19209 1 217 . 1 1 48 48 GLN C C 13 178.90 0.30 . 1 . . . . 53 GLN C . 19209 1 218 . 1 1 48 48 GLN CA C 13 58.83 0.30 . 1 . . . . 53 GLN CA . 19209 1 219 . 1 1 48 48 GLN CB C 13 27.37 0.30 . 1 . . . . 53 GLN CB . 19209 1 220 . 1 1 48 48 GLN N N 15 119.00 0.15 . 1 . . . . 53 GLN N . 19209 1 221 . 1 1 49 49 VAL H H 1 7.54 0.02 . 1 . . . . 54 VAL H . 19209 1 222 . 1 1 49 49 VAL C C 13 179.50 0.30 . 1 . . . . 54 VAL C . 19209 1 223 . 1 1 49 49 VAL CA C 13 65.69 0.30 . 1 . . . . 54 VAL CA . 19209 1 224 . 1 1 49 49 VAL CB C 13 30.50 0.30 . 1 . . . . 54 VAL CB . 19209 1 225 . 1 1 49 49 VAL N N 15 118.80 0.15 . 1 . . . . 54 VAL N . 19209 1 226 . 1 1 50 50 LYS H H 1 7.58 0.02 . 1 . . . . 55 LYS H . 19209 1 227 . 1 1 50 50 LYS C C 13 179.50 0.30 . 1 . . . . 55 LYS C . 19209 1 228 . 1 1 50 50 LYS CA C 13 59.28 0.30 . 1 . . . . 55 LYS CA . 19209 1 229 . 1 1 50 50 LYS CB C 13 30.39 0.30 . 1 . . . . 55 LYS CB . 19209 1 230 . 1 1 50 50 LYS N N 15 121.90 0.15 . 1 . . . . 55 LYS N . 19209 1 231 . 1 1 51 51 LEU H H 1 8.42 0.02 . 1 . . . . 56 LEU H . 19209 1 232 . 1 1 51 51 LEU C C 13 179.30 0.30 . 1 . . . . 56 LEU C . 19209 1 233 . 1 1 51 51 LEU CA C 13 57.09 0.30 . 1 . . . . 56 LEU CA . 19209 1 234 . 1 1 51 51 LEU CB C 13 41.60 0.30 . 1 . . . . 56 LEU CB . 19209 1 235 . 1 1 51 51 LEU N N 15 118.80 0.15 . 1 . . . . 56 LEU N . 19209 1 236 . 1 1 52 52 SER H H 1 7.54 0.02 . 1 . . . . 57 SER H . 19209 1 237 . 1 1 52 52 SER C C 13 174.50 0.30 . 1 . . . . 57 SER C . 19209 1 238 . 1 1 52 52 SER CA C 13 59.77 0.30 . 1 . . . . 57 SER CA . 19209 1 239 . 1 1 52 52 SER CB C 13 62.95 0.30 . 1 . . . . 57 SER CB . 19209 1 240 . 1 1 52 52 SER N N 15 113.20 0.15 . 1 . . . . 57 SER N . 19209 1 241 . 1 1 53 53 LYS H H 1 7.30 0.02 . 1 . . . . 58 LYS H . 19209 1 242 . 1 1 53 53 LYS C C 13 176.60 0.30 . 1 . . . . 58 LYS C . 19209 1 243 . 1 1 53 53 LYS CA C 13 55.18 0.30 . 1 . . . . 58 LYS CA . 19209 1 244 . 1 1 53 53 LYS CB C 13 31.47 0.30 . 1 . . . . 58 LYS CB . 19209 1 245 . 1 1 53 53 LYS N N 15 121.20 0.15 . 1 . . . . 58 LYS N . 19209 1 246 . 1 1 54 54 GLU H H 1 7.55 0.02 . 1 . . . . 59 GLU H . 19209 1 247 . 1 1 54 54 GLU N N 15 119.80 0.15 . 1 . . . . 59 GLU N . 19209 1 248 . 1 1 55 55 CYS C C 13 172.50 0.30 . 1 . . . . 60 CYS C . 19209 1 249 . 1 1 55 55 CYS CA C 13 57.70 0.30 . 1 . . . . 60 CYS CA . 19209 1 250 . 1 1 55 55 CYS CB C 13 27.43 0.30 . 1 . . . . 60 CYS CB . 19209 1 251 . 1 1 56 56 PHE H H 1 8.17 0.02 . 1 . . . . 61 PHE H . 19209 1 252 . 1 1 56 56 PHE C C 13 174.20 0.30 . 1 . . . . 61 PHE C . 19209 1 253 . 1 1 56 56 PHE CA C 13 55.51 0.30 . 1 . . . . 61 PHE CA . 19209 1 254 . 1 1 56 56 PHE CB C 13 39.63 0.30 . 1 . . . . 61 PHE CB . 19209 1 255 . 1 1 56 56 PHE N N 15 120.60 0.15 . 1 . . . . 61 PHE N . 19209 1 256 . 1 1 59 59 TYR C C 13 176.20 0.30 . 1 . . . . 64 TYR C . 19209 1 257 . 1 1 59 59 TYR CA C 13 57.51 0.30 . 1 . . . . 64 TYR CA . 19209 1 258 . 1 1 59 59 TYR CB C 13 34.85 0.30 . 1 . . . . 64 TYR CB . 19209 1 259 . 1 1 60 60 ASN H H 1 8.51 0.02 . 1 . . . . 65 ASN H . 19209 1 260 . 1 1 60 60 ASN C C 13 174.80 0.30 . 1 . . . . 65 ASN C . 19209 1 261 . 1 1 60 60 ASN CA C 13 52.79 0.30 . 1 . . . . 65 ASN CA . 19209 1 262 . 1 1 60 60 ASN CB C 13 37.38 0.30 . 1 . . . . 65 ASN CB . 19209 1 263 . 1 1 60 60 ASN N N 15 119.50 0.15 . 1 . . . . 65 ASN N . 19209 1 264 . 1 1 61 61 THR H H 1 8.23 0.02 . 1 . . . . 66 THR H . 19209 1 265 . 1 1 61 61 THR CA C 13 61.14 0.30 . 1 . . . . 66 THR CA . 19209 1 266 . 1 1 61 61 THR CB C 13 68.87 0.30 . 1 . . . . 66 THR CB . 19209 1 267 . 1 1 61 61 THR N N 15 116.30 0.15 . 1 . . . . 66 THR N . 19209 1 268 . 1 1 63 63 ILE C C 13 176.70 0.30 . 1 . . . . 68 ILE C . 19209 1 269 . 1 1 63 63 ILE CA C 13 61.01 0.30 . 1 . . . . 68 ILE CA . 19209 1 270 . 1 1 63 63 ILE CB C 13 37.01 0.30 . 1 . . . . 68 ILE CB . 19209 1 271 . 1 1 64 64 THR H H 1 8.51 0.02 . 1 . . . . 69 THR H . 19209 1 272 . 1 1 64 64 THR C C 13 176.50 0.30 . 1 . . . . 69 THR C . 19209 1 273 . 1 1 64 64 THR CA C 13 66.16 0.30 . 1 . . . . 69 THR CA . 19209 1 274 . 1 1 64 64 THR CB C 13 67.97 0.30 . 1 . . . . 69 THR CB . 19209 1 275 . 1 1 64 64 THR N N 15 120.00 0.15 . 1 . . . . 69 THR N . 19209 1 276 . 1 1 69 69 SER C C 13 176.00 0.30 . 1 . . . . 74 SER C . 19209 1 277 . 1 1 69 69 SER CA C 13 61.83 0.30 . 1 . . . . 74 SER CA . 19209 1 278 . 1 1 70 70 HIS H H 1 7.48 0.02 . 1 . . . . 75 HIS H . 19209 1 279 . 1 1 70 70 HIS C C 13 178.80 0.30 . 1 . . . . 75 HIS C . 19209 1 280 . 1 1 70 70 HIS CA C 13 57.49 0.30 . 1 . . . . 75 HIS CA . 19209 1 281 . 1 1 70 70 HIS CB C 13 30.91 0.30 . 1 . . . . 75 HIS CB . 19209 1 282 . 1 1 70 70 HIS N N 15 120.20 0.15 . 1 . . . . 75 HIS N . 19209 1 283 . 1 1 71 71 TRP H H 1 7.19 0.02 . 1 . . . . 76 TRP H . 19209 1 284 . 1 1 71 71 TRP C C 13 177.40 0.30 . 1 . . . . 76 TRP C . 19209 1 285 . 1 1 71 71 TRP CA C 13 60.14 0.30 . 1 . . . . 76 TRP CA . 19209 1 286 . 1 1 71 71 TRP CB C 13 28.36 0.30 . 1 . . . . 76 TRP CB . 19209 1 287 . 1 1 71 71 TRP N N 15 117.60 0.15 . 1 . . . . 76 TRP N . 19209 1 288 . 1 1 72 72 GLU H H 1 8.35 0.02 . 1 . . . . 77 GLU H . 19209 1 289 . 1 1 72 72 GLU C C 13 179.50 0.30 . 1 . . . . 77 GLU C . 19209 1 290 . 1 1 72 72 GLU CA C 13 59.90 0.30 . 1 . . . . 77 GLU CA . 19209 1 291 . 1 1 72 72 GLU CB C 13 30.47 0.30 . 1 . . . . 77 GLU CB . 19209 1 292 . 1 1 72 72 GLU N N 15 120.80 0.15 . 1 . . . . 77 GLU N . 19209 1 293 . 1 1 73 73 GLU H H 1 8.82 0.02 . 1 . . . . 78 GLU H . 19209 1 294 . 1 1 73 73 GLU C C 13 178.10 0.30 . 1 . . . . 78 GLU C . 19209 1 295 . 1 1 73 73 GLU CA C 13 58.10 0.30 . 1 . . . . 78 GLU CA . 19209 1 296 . 1 1 73 73 GLU CB C 13 29.04 0.30 . 1 . . . . 78 GLU CB . 19209 1 297 . 1 1 73 73 GLU N N 15 118.40 0.15 . 1 . . . . 78 GLU N . 19209 1 298 . 1 1 74 74 ALA H H 1 8.23 0.02 . 1 . . . . 79 ALA H . 19209 1 299 . 1 1 74 74 ALA C C 13 180.70 0.30 . 1 . . . . 79 ALA C . 19209 1 300 . 1 1 74 74 ALA CA C 13 54.86 0.30 . 1 . . . . 79 ALA CA . 19209 1 301 . 1 1 74 74 ALA CB C 13 20.02 0.30 . 1 . . . . 79 ALA CB . 19209 1 302 . 1 1 74 74 ALA N N 15 120.70 0.15 . 1 . . . . 79 ALA N . 19209 1 303 . 1 1 75 75 ILE H H 1 8.80 0.02 . 1 . . . . 80 ILE H . 19209 1 304 . 1 1 75 75 ILE C C 13 177.80 0.30 . 1 . . . . 80 ILE C . 19209 1 305 . 1 1 75 75 ILE CA C 13 65.79 0.30 . 1 . . . . 80 ILE CA . 19209 1 306 . 1 1 75 75 ILE CB C 13 37.77 0.30 . 1 . . . . 80 ILE CB . 19209 1 307 . 1 1 75 75 ILE N N 15 119.00 0.15 . 1 . . . . 80 ILE N . 19209 1 308 . 1 1 76 76 GLN H H 1 8.13 0.02 . 1 . . . . 81 GLN H . 19209 1 309 . 1 1 76 76 GLN C C 13 179.60 0.30 . 1 . . . . 81 GLN C . 19209 1 310 . 1 1 76 76 GLN CA C 13 59.32 0.30 . 1 . . . . 81 GLN CA . 19209 1 311 . 1 1 76 76 GLN CB C 13 27.64 0.30 . 1 . . . . 81 GLN CB . 19209 1 312 . 1 1 76 76 GLN N N 15 121.60 0.15 . 1 . . . . 81 GLN N . 19209 1 313 . 1 1 77 77 GLU H H 1 9.07 0.02 . 1 . . . . 82 GLU H . 19209 1 314 . 1 1 77 77 GLU C C 13 177.90 0.30 . 1 . . . . 82 GLU C . 19209 1 315 . 1 1 77 77 GLU CA C 13 58.00 0.30 . 1 . . . . 82 GLU CA . 19209 1 316 . 1 1 77 77 GLU CB C 13 29.44 0.30 . 1 . . . . 82 GLU CB . 19209 1 317 . 1 1 77 77 GLU N N 15 117.70 0.15 . 1 . . . . 82 GLU N . 19209 1 318 . 1 1 78 78 THR H H 1 7.45 0.02 . 1 . . . . 83 THR H . 19209 1 319 . 1 1 78 78 THR C C 13 175.30 0.30 . 1 . . . . 83 THR C . 19209 1 320 . 1 1 78 78 THR CA C 13 65.03 0.30 . 1 . . . . 83 THR CA . 19209 1 321 . 1 1 78 78 THR CB C 13 68.73 0.30 . 1 . . . . 83 THR CB . 19209 1 322 . 1 1 78 78 THR N N 15 113.00 0.15 . 1 . . . . 83 THR N . 19209 1 323 . 1 1 79 79 LYS H H 1 8.88 0.02 . 1 . . . . 84 LYS H . 19209 1 324 . 1 1 79 79 LYS C C 13 178.00 0.30 . 1 . . . . 84 LYS C . 19209 1 325 . 1 1 79 79 LYS CA C 13 54.07 0.30 . 1 . . . . 84 LYS CA . 19209 1 326 . 1 1 79 79 LYS CB C 13 30.41 0.30 . 1 . . . . 84 LYS CB . 19209 1 327 . 1 1 79 79 LYS N N 15 118.40 0.15 . 1 . . . . 84 LYS N . 19209 1 328 . 1 1 80 80 GLY H H 1 8.00 0.02 . 1 . . . . 85 GLY H . 19209 1 329 . 1 1 80 80 GLY C C 13 173.80 0.30 . 1 . . . . 85 GLY C . 19209 1 330 . 1 1 80 80 GLY CA C 13 44.12 0.30 . 1 . . . . 85 GLY CA . 19209 1 331 . 1 1 80 80 GLY N N 15 109.00 0.15 . 1 . . . . 85 GLY N . 19209 1 332 . 1 1 81 81 GLY H H 1 8.29 0.02 . 1 . . . . 86 GLY H . 19209 1 333 . 1 1 81 81 GLY C C 13 173.70 0.30 . 1 . . . . 86 GLY C . 19209 1 334 . 1 1 81 81 GLY CA C 13 43.99 0.30 . 1 . . . . 86 GLY CA . 19209 1 335 . 1 1 81 81 GLY N N 15 106.00 0.15 . 1 . . . . 86 GLY N . 19209 1 336 . 1 1 82 82 ALA H H 1 8.24 0.02 . 1 . . . . 87 ALA H . 19209 1 337 . 1 1 82 82 ALA C C 13 178.20 0.30 . 1 . . . . 87 ALA C . 19209 1 338 . 1 1 82 82 ALA CA C 13 51.02 0.30 . 1 . . . . 87 ALA CA . 19209 1 339 . 1 1 82 82 ALA CB C 13 18.59 0.30 . 1 . . . . 87 ALA CB . 19209 1 340 . 1 1 82 82 ALA N N 15 121.80 0.15 . 1 . . . . 87 ALA N . 19209 1 341 . 1 1 83 83 ALA H H 1 8.65 0.02 . 1 . . . . 88 ALA H . 19209 1 342 . 1 1 83 83 ALA C C 13 177.50 0.30 . 1 . . . . 88 ALA C . 19209 1 343 . 1 1 83 83 ALA CA C 13 52.40 0.30 . 1 . . . . 88 ALA CA . 19209 1 344 . 1 1 83 83 ALA CB C 13 17.32 0.30 . 1 . . . . 88 ALA CB . 19209 1 345 . 1 1 83 83 ALA N N 15 125.30 0.15 . 1 . . . . 88 ALA N . 19209 1 346 . 1 1 84 84 ASN H H 1 9.16 0.02 . 1 . . . . 89 ASN H . 19209 1 347 . 1 1 84 84 ASN C C 13 174.30 0.30 . 1 . . . . 89 ASN C . 19209 1 348 . 1 1 84 84 ASN CA C 13 50.46 0.30 . 1 . . . . 89 ASN CA . 19209 1 349 . 1 1 84 84 ASN CB C 13 37.53 0.30 . 1 . . . . 89 ASN CB . 19209 1 350 . 1 1 84 84 ASN N N 15 122.70 0.15 . 1 . . . . 89 ASN N . 19209 1 351 . 1 1 85 85 ARG H H 1 8.47 0.02 . 1 . . . . 90 ARG H . 19209 1 352 . 1 1 85 85 ARG C C 13 177.80 0.30 . 1 . . . . 90 ARG C . 19209 1 353 . 1 1 85 85 ARG CA C 13 57.72 0.30 . 1 . . . . 90 ARG CA . 19209 1 354 . 1 1 85 85 ARG CB C 13 28.22 0.30 . 1 . . . . 90 ARG CB . 19209 1 355 . 1 1 85 85 ARG N N 15 124.70 0.15 . 1 . . . . 90 ARG N . 19209 1 356 . 1 1 86 86 LYS H H 1 8.33 0.02 . 1 . . . . 91 LYS H . 19209 1 357 . 1 1 86 86 LYS C C 13 179.90 0.30 . 1 . . . . 91 LYS C . 19209 1 358 . 1 1 86 86 LYS CA C 13 58.51 0.30 . 1 . . . . 91 LYS CA . 19209 1 359 . 1 1 86 86 LYS CB C 13 30.53 0.30 . 1 . . . . 91 LYS CB . 19209 1 360 . 1 1 86 86 LYS N N 15 117.70 0.15 . 1 . . . . 91 LYS N . 19209 1 361 . 1 1 87 87 LEU H H 1 7.48 0.02 . 1 . . . . 92 LEU H . 19209 1 362 . 1 1 87 87 LEU C C 13 178.40 0.30 . 1 . . . . 92 LEU C . 19209 1 363 . 1 1 87 87 LEU CA C 13 56.27 0.30 . 1 . . . . 92 LEU CA . 19209 1 364 . 1 1 87 87 LEU CB C 13 41.19 0.30 . 1 . . . . 92 LEU CB . 19209 1 365 . 1 1 87 87 LEU N N 15 121.80 0.15 . 1 . . . . 92 LEU N . 19209 1 366 . 1 1 88 88 ALA H H 1 7.89 0.02 . 1 . . . . 93 ALA H . 19209 1 367 . 1 1 88 88 ALA C C 13 178.80 0.30 . 1 . . . . 93 ALA C . 19209 1 368 . 1 1 88 88 ALA CA C 13 55.44 0.30 . 1 . . . . 93 ALA CA . 19209 1 369 . 1 1 88 88 ALA CB C 13 17.61 0.30 . 1 . . . . 93 ALA CB . 19209 1 370 . 1 1 88 88 ALA N N 15 121.40 0.15 . 1 . . . . 93 ALA N . 19209 1 371 . 1 1 89 89 GLU H H 1 8.56 0.02 . 1 . . . . 94 GLU H . 19209 1 372 . 1 1 89 89 GLU C C 13 177.60 0.30 . 1 . . . . 94 GLU C . 19209 1 373 . 1 1 89 89 GLU CA C 13 59.27 0.30 . 1 . . . . 94 GLU CA . 19209 1 374 . 1 1 89 89 GLU CB C 13 28.95 0.30 . 1 . . . . 94 GLU CB . 19209 1 375 . 1 1 89 89 GLU N N 15 116.00 0.15 . 1 . . . . 94 GLU N . 19209 1 376 . 1 1 90 90 GLU H H 1 7.78 0.02 . 1 . . . . 95 GLU H . 19209 1 377 . 1 1 90 90 GLU C C 13 180.00 0.30 . 1 . . . . 95 GLU C . 19209 1 378 . 1 1 90 90 GLU CA C 13 59.25 0.30 . 1 . . . . 95 GLU CA . 19209 1 379 . 1 1 90 90 GLU CB C 13 28.89 0.30 . 1 . . . . 95 GLU CB . 19209 1 380 . 1 1 90 90 GLU N N 15 120.80 0.15 . 1 . . . . 95 GLU N . 19209 1 381 . 1 1 91 91 CYS H H 1 8.13 0.02 . 1 . . . . 96 CYS H . 19209 1 382 . 1 1 91 91 CYS C C 13 175.30 0.30 . 1 . . . . 96 CYS C . 19209 1 383 . 1 1 91 91 CYS CA C 13 63.50 0.30 . 1 . . . . 96 CYS CA . 19209 1 384 . 1 1 91 91 CYS CB C 13 27.10 0.30 . 1 . . . . 96 CYS CB . 19209 1 385 . 1 1 91 91 CYS N N 15 116.40 0.15 . 1 . . . . 96 CYS N . 19209 1 386 . 1 1 92 92 TYR H H 1 8.20 0.02 . 1 . . . . 97 TYR H . 19209 1 387 . 1 1 92 92 TYR C C 13 177.10 0.30 . 1 . . . . 97 TYR C . 19209 1 388 . 1 1 92 92 TYR CA C 13 60.96 0.30 . 1 . . . . 97 TYR CA . 19209 1 389 . 1 1 92 92 TYR CB C 13 37.37 0.30 . 1 . . . . 97 TYR CB . 19209 1 390 . 1 1 92 92 TYR N N 15 118.90 0.15 . 1 . . . . 97 TYR N . 19209 1 391 . 1 1 93 93 PHE H H 1 8.76 0.02 . 1 . . . . 98 PHE H . 19209 1 392 . 1 1 93 93 PHE C C 13 179.00 0.30 . 1 . . . . 98 PHE C . 19209 1 393 . 1 1 93 93 PHE CA C 13 61.01 0.30 . 1 . . . . 98 PHE CA . 19209 1 394 . 1 1 93 93 PHE CB C 13 36.68 0.30 . 1 . . . . 98 PHE CB . 19209 1 395 . 1 1 93 93 PHE N N 15 115.40 0.15 . 1 . . . . 98 PHE N . 19209 1 396 . 1 1 94 94 LEU H H 1 7.70 0.02 . 1 . . . . 99 LEU H . 19209 1 397 . 1 1 94 94 LEU C C 13 179.20 0.30 . 1 . . . . 99 LEU C . 19209 1 398 . 1 1 94 94 LEU CA C 13 57.23 0.30 . 1 . . . . 99 LEU CA . 19209 1 399 . 1 1 94 94 LEU CB C 13 40.43 0.30 . 1 . . . . 99 LEU CB . 19209 1 400 . 1 1 94 94 LEU N N 15 122.80 0.15 . 1 . . . . 99 LEU N . 19209 1 401 . 1 1 95 95 TRP H H 1 8.71 0.02 . 1 . . . . 100 TRP H . 19209 1 402 . 1 1 95 95 TRP HE1 H 1 10.44 0.20 . 1 . . . . 100 TRP HE1 . 19209 1 403 . 1 1 95 95 TRP C C 13 176.90 0.30 . 1 . . . . 100 TRP C . 19209 1 404 . 1 1 95 95 TRP CA C 13 62.36 0.30 . 1 . . . . 100 TRP CA . 19209 1 405 . 1 1 95 95 TRP CB C 13 27.58 0.30 . 1 . . . . 100 TRP CB . 19209 1 406 . 1 1 95 95 TRP N N 15 125.50 0.15 . 1 . . . . 100 TRP N . 19209 1 407 . 1 1 95 95 TRP NE1 N 15 129.70 1.50 . 1 . . . . 100 TRP NE1 . 19209 1 408 . 1 1 96 96 LYS H H 1 8.99 0.02 . 1 . . . . 101 LYS H . 19209 1 409 . 1 1 96 96 LYS C C 13 178.00 0.30 . 1 . . . . 101 LYS C . 19209 1 410 . 1 1 96 96 LYS CA C 13 59.12 0.30 . 1 . . . . 101 LYS CA . 19209 1 411 . 1 1 96 96 LYS CB C 13 32.23 0.30 . 1 . . . . 101 LYS CB . 19209 1 412 . 1 1 96 96 LYS N N 15 118.20 0.15 . 1 . . . . 101 LYS N . 19209 1 413 . 1 1 97 97 SER H H 1 8.36 0.02 . 1 . . . . 102 SER H . 19209 1 414 . 1 1 97 97 SER C C 13 177.90 0.30 . 1 . . . . 102 SER C . 19209 1 415 . 1 1 97 97 SER CA C 13 60.67 0.30 . 1 . . . . 102 SER CA . 19209 1 416 . 1 1 97 97 SER CB C 13 61.73 0.30 . 1 . . . . 102 SER CB . 19209 1 417 . 1 1 97 97 SER N N 15 112.30 0.15 . 1 . . . . 102 SER N . 19209 1 418 . 1 1 98 98 THR H H 1 8.06 0.02 . 1 . . . . 103 THR H . 19209 1 419 . 1 1 98 98 THR C C 13 176.20 0.30 . 1 . . . . 103 THR C . 19209 1 420 . 1 1 98 98 THR CA C 13 66.71 0.30 . 1 . . . . 103 THR CA . 19209 1 421 . 1 1 98 98 THR CB C 13 67.92 0.30 . 1 . . . . 103 THR CB . 19209 1 422 . 1 1 98 98 THR N N 15 118.00 0.15 . 1 . . . . 103 THR N . 19209 1 423 . 1 1 99 99 ARG H H 1 8.20 0.02 . 1 . . . . 104 ARG H . 19209 1 424 . 1 1 99 99 ARG C C 13 178.00 0.30 . 1 . . . . 104 ARG C . 19209 1 425 . 1 1 99 99 ARG CA C 13 58.57 0.30 . 1 . . . . 104 ARG CA . 19209 1 426 . 1 1 99 99 ARG CB C 13 28.73 0.30 . 1 . . . . 104 ARG CB . 19209 1 427 . 1 1 99 99 ARG N N 15 120.50 0.15 . 1 . . . . 104 ARG N . 19209 1 428 . 1 1 100 100 LEU H H 1 7.53 0.02 . 1 . . . . 105 LEU H . 19209 1 429 . 1 1 100 100 LEU C C 13 179.50 0.30 . 1 . . . . 105 LEU C . 19209 1 430 . 1 1 100 100 LEU CA C 13 57.41 0.30 . 1 . . . . 105 LEU CA . 19209 1 431 . 1 1 100 100 LEU CB C 13 40.28 0.30 . 1 . . . . 105 LEU CB . 19209 1 432 . 1 1 100 100 LEU N N 15 118.20 0.15 . 1 . . . . 105 LEU N . 19209 1 433 . 1 1 101 101 GLN H H 1 7.46 0.02 . 1 . . . . 106 GLN H . 19209 1 434 . 1 1 101 101 GLN C C 13 176.40 0.30 . 1 . . . . 106 GLN C . 19209 1 435 . 1 1 101 101 GLN CA C 13 57.24 0.30 . 1 . . . . 106 GLN CA . 19209 1 436 . 1 1 101 101 GLN CB C 13 27.69 0.30 . 1 . . . . 106 GLN CB . 19209 1 437 . 1 1 101 101 GLN N N 15 116.90 0.15 . 1 . . . . 106 GLN N . 19209 1 438 . 1 1 102 102 HIS H H 1 7.26 0.02 . 1 . . . . 107 HIS H . 19209 1 439 . 1 1 102 102 HIS C C 13 174.50 0.30 . 1 . . . . 107 HIS C . 19209 1 440 . 1 1 102 102 HIS CA C 13 56.13 0.30 . 1 . . . . 107 HIS CA . 19209 1 441 . 1 1 102 102 HIS CB C 13 30.32 0.30 . 1 . . . . 107 HIS CB . 19209 1 442 . 1 1 102 102 HIS N N 15 115.00 0.15 . 1 . . . . 107 HIS N . 19209 1 443 . 1 1 103 103 MET H H 1 7.32 0.02 . 1 . . . . 108 MET H . 19209 1 444 . 1 1 103 103 MET C C 13 172.60 0.30 . 1 . . . . 108 MET C . 19209 1 445 . 1 1 103 103 MET CA C 13 55.23 0.30 . 1 . . . . 108 MET CA . 19209 1 446 . 1 1 103 103 MET CB C 13 30.39 0.30 . 1 . . . . 108 MET CB . 19209 1 447 . 1 1 103 103 MET N N 15 122.50 0.15 . 1 . . . . 108 MET N . 19209 1 448 . 1 1 104 104 THR H H 1 7.70 0.02 . 1 . . . . 109 THR H . 19209 1 449 . 1 1 104 104 THR C C 13 173.80 0.30 . 1 . . . . 109 THR C . 19209 1 450 . 1 1 104 104 THR CA C 13 59.16 0.30 . 1 . . . . 109 THR CA . 19209 1 451 . 1 1 104 104 THR CB C 13 70.84 0.30 . 1 . . . . 109 THR CB . 19209 1 452 . 1 1 104 104 THR N N 15 112.20 0.15 . 1 . . . . 109 THR N . 19209 1 453 . 1 1 105 105 LEU H H 1 8.90 0.02 . 1 . . . . 110 LEU H . 19209 1 454 . 1 1 105 105 LEU C C 13 176.50 0.30 . 1 . . . . 110 LEU C . 19209 1 455 . 1 1 105 105 LEU CA C 13 53.43 0.30 . 1 . . . . 110 LEU CA . 19209 1 456 . 1 1 105 105 LEU CB C 13 42.18 0.30 . 1 . . . . 110 LEU CB . 19209 1 457 . 1 1 105 105 LEU N N 15 123.20 0.15 . 1 . . . . 110 LEU N . 19209 1 458 . 1 1 106 106 ALA H H 1 9.11 0.02 . 1 . . . . 111 ALA H . 19209 1 459 . 1 1 106 106 ALA C C 13 178.90 0.30 . 1 . . . . 111 ALA C . 19209 1 460 . 1 1 106 106 ALA CA C 13 51.22 0.30 . 1 . . . . 111 ALA CA . 19209 1 461 . 1 1 106 106 ALA CB C 13 18.64 0.30 . 1 . . . . 111 ALA CB . 19209 1 462 . 1 1 106 106 ALA N N 15 127.10 0.15 . 1 . . . . 111 ALA N . 19209 1 463 . 1 1 107 107 GLU H H 1 9.06 0.02 . 1 . . . . 112 GLU H . 19209 1 464 . 1 1 107 107 GLU C C 13 179.30 0.30 . 1 . . . . 112 GLU C . 19209 1 465 . 1 1 107 107 GLU CA C 13 59.33 0.30 . 1 . . . . 112 GLU CA . 19209 1 466 . 1 1 107 107 GLU CB C 13 28.25 0.30 . 1 . . . . 112 GLU CB . 19209 1 467 . 1 1 107 107 GLU N N 15 121.50 0.15 . 1 . . . . 112 GLU N . 19209 1 468 . 1 1 108 108 ASP H H 1 8.82 0.02 . 1 . . . . 113 ASP H . 19209 1 469 . 1 1 108 108 ASP C C 13 179.20 0.30 . 1 . . . . 113 ASP C . 19209 1 470 . 1 1 108 108 ASP CA C 13 55.66 0.30 . 1 . . . . 113 ASP CA . 19209 1 471 . 1 1 108 108 ASP CB C 13 38.13 0.30 . 1 . . . . 113 ASP CB . 19209 1 472 . 1 1 108 108 ASP N N 15 117.10 0.15 . 1 . . . . 113 ASP N . 19209 1 473 . 1 1 109 109 VAL H H 1 7.40 0.02 . 1 . . . . 114 VAL H . 19209 1 474 . 1 1 109 109 VAL C C 13 177.30 0.30 . 1 . . . . 114 VAL C . 19209 1 475 . 1 1 109 109 VAL CA C 13 65.91 0.30 . 1 . . . . 114 VAL CA . 19209 1 476 . 1 1 109 109 VAL CB C 13 30.51 0.30 . 1 . . . . 114 VAL CB . 19209 1 477 . 1 1 109 109 VAL N N 15 124.90 0.15 . 1 . . . . 114 VAL N . 19209 1 478 . 1 1 110 110 LYS H H 1 8.14 0.02 . 1 . . . . 115 LYS H . 19209 1 479 . 1 1 110 110 LYS C C 13 179.20 0.30 . 1 . . . . 115 LYS C . 19209 1 480 . 1 1 110 110 LYS CA C 13 60.08 0.30 . 1 . . . . 115 LYS CA . 19209 1 481 . 1 1 110 110 LYS CB C 13 31.46 0.30 . 1 . . . . 115 LYS CB . 19209 1 482 . 1 1 110 110 LYS N N 15 119.70 0.15 . 1 . . . . 115 LYS N . 19209 1 483 . 1 1 111 111 ALA H H 1 7.86 0.02 . 1 . . . . 116 ALA H . 19209 1 484 . 1 1 111 111 ALA C C 13 179.70 0.30 . 1 . . . . 116 ALA C . 19209 1 485 . 1 1 111 111 ALA CA C 13 54.54 0.30 . 1 . . . . 116 ALA CA . 19209 1 486 . 1 1 111 111 ALA CB C 13 16.95 0.30 . 1 . . . . 116 ALA CB . 19209 1 487 . 1 1 111 111 ALA N N 15 120.70 0.15 . 1 . . . . 116 ALA N . 19209 1 488 . 1 1 112 112 MET H H 1 7.66 0.02 . 1 . . . . 117 MET H . 19209 1 489 . 1 1 112 112 MET C C 13 178.70 0.30 . 1 . . . . 117 MET C . 19209 1 490 . 1 1 112 112 MET CA C 13 58.72 0.30 . 1 . . . . 117 MET CA . 19209 1 491 . 1 1 112 112 MET CB C 13 30.06 0.30 . 1 . . . . 117 MET CB . 19209 1 492 . 1 1 112 112 MET N N 15 120.00 0.15 . 1 . . . . 117 MET N . 19209 1 493 . 1 1 113 113 LEU H H 1 8.60 0.02 . 1 . . . . 118 LEU H . 19209 1 494 . 1 1 113 113 LEU C C 13 180.70 0.30 . 1 . . . . 118 LEU C . 19209 1 495 . 1 1 113 113 LEU CA C 13 57.51 0.30 . 1 . . . . 118 LEU CA . 19209 1 496 . 1 1 113 113 LEU CB C 13 40.11 0.30 . 1 . . . . 118 LEU CB . 19209 1 497 . 1 1 113 113 LEU N N 15 119.40 0.15 . 1 . . . . 118 LEU N . 19209 1 498 . 1 1 114 114 THR H H 1 8.28 0.02 . 1 . . . . 119 THR H . 19209 1 499 . 1 1 114 114 THR C C 13 176.20 0.30 . 1 . . . . 119 THR C . 19209 1 500 . 1 1 114 114 THR CA C 13 66.80 0.30 . 1 . . . . 119 THR CA . 19209 1 501 . 1 1 114 114 THR CB C 13 68.12 0.30 . 1 . . . . 119 THR CB . 19209 1 502 . 1 1 114 114 THR N N 15 117.70 0.15 . 1 . . . . 119 THR N . 19209 1 503 . 1 1 115 115 GLU H H 1 7.81 0.02 . 1 . . . . 120 GLU H . 19209 1 504 . 1 1 115 115 GLU C C 13 180.40 0.30 . 1 . . . . 120 GLU C . 19209 1 505 . 1 1 115 115 GLU CA C 13 58.21 0.30 . 1 . . . . 120 GLU CA . 19209 1 506 . 1 1 115 115 GLU CB C 13 28.33 0.30 . 1 . . . . 120 GLU CB . 19209 1 507 . 1 1 115 115 GLU N N 15 120.40 0.15 . 1 . . . . 120 GLU N . 19209 1 508 . 1 1 116 116 LEU H H 1 8.65 0.02 . 1 . . . . 121 LEU H . 19209 1 509 . 1 1 116 116 LEU C C 13 178.80 0.30 . 1 . . . . 121 LEU C . 19209 1 510 . 1 1 116 116 LEU CA C 13 57.46 0.30 . 1 . . . . 121 LEU CA . 19209 1 511 . 1 1 116 116 LEU CB C 13 41.61 0.30 . 1 . . . . 121 LEU CB . 19209 1 512 . 1 1 116 116 LEU N N 15 120.60 0.15 . 1 . . . . 121 LEU N . 19209 1 513 . 1 1 117 117 ARG H H 1 7.64 0.02 . 1 . . . . 122 ARG H . 19209 1 514 . 1 1 117 117 ARG C C 13 176.60 0.30 . 1 . . . . 122 ARG C . 19209 1 515 . 1 1 117 117 ARG CA C 13 56.04 0.30 . 1 . . . . 122 ARG CA . 19209 1 516 . 1 1 117 117 ARG CB C 13 29.92 0.30 . 1 . . . . 122 ARG CB . 19209 1 517 . 1 1 117 117 ARG N N 15 117.40 0.15 . 1 . . . . 122 ARG N . 19209 1 518 . 1 1 118 118 LYS H H 1 7.26 0.02 . 1 . . . . 123 LYS H . 19209 1 519 . 1 1 118 118 LYS C C 13 177.90 0.30 . 1 . . . . 123 LYS C . 19209 1 520 . 1 1 118 118 LYS CA C 13 58.14 0.30 . 1 . . . . 123 LYS CA . 19209 1 521 . 1 1 118 118 LYS CB C 13 31.96 0.30 . 1 . . . . 123 LYS CB . 19209 1 522 . 1 1 118 118 LYS N N 15 114.70 0.15 . 1 . . . . 123 LYS N . 19209 1 523 . 1 1 119 119 GLU H H 1 7.91 0.02 . 1 . . . . 124 GLU H . 19209 1 524 . 1 1 119 119 GLU C C 13 175.80 0.30 . 1 . . . . 124 GLU C . 19209 1 525 . 1 1 119 119 GLU CA C 13 56.25 0.30 . 1 . . . . 124 GLU CA . 19209 1 526 . 1 1 119 119 GLU CB C 13 32.43 0.30 . 1 . . . . 124 GLU CB . 19209 1 527 . 1 1 119 119 GLU N N 15 114.50 0.15 . 1 . . . . 124 GLU N . 19209 1 528 . 1 1 120 120 VAL H H 1 8.06 0.02 . 1 . . . . 125 VAL H . 19209 1 529 . 1 1 120 120 VAL C C 13 174.30 0.30 . 1 . . . . 125 VAL C . 19209 1 530 . 1 1 120 120 VAL CA C 13 58.80 0.30 . 1 . . . . 125 VAL CA . 19209 1 531 . 1 1 120 120 VAL CB C 13 34.60 0.30 . 1 . . . . 125 VAL CB . 19209 1 532 . 1 1 120 120 VAL N N 15 113.40 0.15 . 1 . . . . 125 VAL N . 19209 1 533 . 1 1 122 122 LEU C C 13 176.30 0.30 . 1 . . . . 127 LEU C . 19209 1 534 . 1 1 122 122 LEU CA C 13 52.92 0.30 . 1 . . . . 127 LEU CA . 19209 1 535 . 1 1 122 122 LEU CB C 13 45.92 0.30 . 1 . . . . 127 LEU CB . 19209 1 536 . 1 1 123 123 LEU H H 1 9.40 0.02 . 1 . . . . 128 LEU H . 19209 1 537 . 1 1 123 123 LEU C C 13 172.50 0.30 . 1 . . . . 128 LEU C . 19209 1 538 . 1 1 123 123 LEU CA C 13 53.44 0.30 . 1 . . . . 128 LEU CA . 19209 1 539 . 1 1 123 123 LEU CB C 13 44.74 0.30 . 1 . . . . 128 LEU CB . 19209 1 540 . 1 1 123 123 LEU N N 15 127.20 0.15 . 1 . . . . 128 LEU N . 19209 1 541 . 1 1 124 124 LEU H H 1 8.11 0.02 . 1 . . . . 129 LEU H . 19209 1 542 . 1 1 124 124 LEU C C 13 172.50 0.30 . 1 . . . . 129 LEU C . 19209 1 543 . 1 1 124 124 LEU CA C 13 52.71 0.30 . 1 . . . . 129 LEU CA . 19209 1 544 . 1 1 124 124 LEU CB C 13 42.47 0.30 . 1 . . . . 129 LEU CB . 19209 1 545 . 1 1 124 124 LEU N N 15 130.50 0.15 . 1 . . . . 129 LEU N . 19209 1 546 . 1 1 125 125 LEU H H 1 9.77 0.02 . 1 . . . . 130 LEU H . 19209 1 547 . 1 1 125 125 LEU C C 13 173.90 0.30 . 1 . . . . 130 LEU C . 19209 1 548 . 1 1 125 125 LEU CA C 13 52.73 0.30 . 1 . . . . 130 LEU CA . 19209 1 549 . 1 1 125 125 LEU CB C 13 41.66 0.30 . 1 . . . . 130 LEU CB . 19209 1 550 . 1 1 125 125 LEU N N 15 131.50 0.15 . 1 . . . . 130 LEU N . 19209 1 551 . 1 1 126 126 THR H H 1 8.33 0.02 . 1 . . . . 131 THR H . 19209 1 552 . 1 1 126 126 THR C C 13 173.30 0.30 . 1 . . . . 131 THR C . 19209 1 553 . 1 1 126 126 THR CA C 13 57.11 0.30 . 1 . . . . 131 THR CA . 19209 1 554 . 1 1 126 126 THR CB C 13 69.32 0.30 . 1 . . . . 131 THR CB . 19209 1 555 . 1 1 126 126 THR N N 15 121.40 0.15 . 1 . . . . 131 THR N . 19209 1 556 . 1 1 127 127 ASN H H 1 10.03 0.02 . 1 . . . . 132 ASN H . 19209 1 557 . 1 1 127 127 ASN C C 13 175.80 0.30 . 1 . . . . 132 ASN C . 19209 1 558 . 1 1 127 127 ASN CA C 13 52.03 0.30 . 1 . . . . 132 ASN CA . 19209 1 559 . 1 1 127 127 ASN CB C 13 38.90 0.30 . 1 . . . . 132 ASN CB . 19209 1 560 . 1 1 127 127 ASN N N 15 132.90 0.15 . 1 . . . . 132 ASN N . 19209 1 561 . 1 1 128 128 GLY H H 1 9.51 0.02 . 1 . . . . 133 GLY H . 19209 1 562 . 1 1 128 128 GLY C C 13 173.10 0.30 . 1 . . . . 133 GLY C . 19209 1 563 . 1 1 128 128 GLY CA C 13 42.48 0.30 . 1 . . . . 133 GLY CA . 19209 1 564 . 1 1 128 128 GLY N N 15 103.30 0.15 . 1 . . . . 133 GLY N . 19209 1 565 . 1 1 129 129 ASP H H 1 7.09 0.02 . 1 . . . . 134 ASP H . 19209 1 566 . 1 1 129 129 ASP C C 13 175.80 0.30 . 1 . . . . 134 ASP C . 19209 1 567 . 1 1 129 129 ASP CA C 13 54.07 0.30 . 1 . . . . 134 ASP CA . 19209 1 568 . 1 1 129 129 ASP CB C 13 40.86 0.30 . 1 . . . . 134 ASP CB . 19209 1 569 . 1 1 129 129 ASP N N 15 114.80 0.15 . 1 . . . . 134 ASP N . 19209 1 570 . 1 1 130 130 ARG H H 1 8.90 0.02 . 1 . . . . 135 ARG H . 19209 1 571 . 1 1 130 130 ARG C C 13 176.40 0.30 . 1 . . . . 135 ARG C . 19209 1 572 . 1 1 130 130 ARG CA C 13 59.09 0.30 . 1 . . . . 135 ARG CA . 19209 1 573 . 1 1 130 130 ARG CB C 13 30.19 0.30 . 1 . . . . 135 ARG CB . 19209 1 574 . 1 1 130 130 ARG N N 15 120.80 0.15 . 1 . . . . 135 ARG N . 19209 1 575 . 1 1 131 131 GLN H H 1 8.52 0.02 . 1 . . . . 136 GLN H . 19209 1 576 . 1 1 131 131 GLN C C 13 178.50 0.30 . 1 . . . . 136 GLN C . 19209 1 577 . 1 1 131 131 GLN CA C 13 58.77 0.30 . 1 . . . . 136 GLN CA . 19209 1 578 . 1 1 131 131 GLN CB C 13 27.78 0.30 . 1 . . . . 136 GLN CB . 19209 1 579 . 1 1 131 131 GLN N N 15 118.40 0.15 . 1 . . . . 136 GLN N . 19209 1 580 . 1 1 132 132 THR H H 1 8.22 0.02 . 1 . . . . 137 THR H . 19209 1 581 . 1 1 132 132 THR C C 13 177.60 0.30 . 1 . . . . 137 THR C . 19209 1 582 . 1 1 132 132 THR CA C 13 64.95 0.30 . 1 . . . . 137 THR CA . 19209 1 583 . 1 1 132 132 THR CB C 13 66.99 0.30 . 1 . . . . 137 THR CB . 19209 1 584 . 1 1 132 132 THR N N 15 115.50 0.15 . 1 . . . . 137 THR N . 19209 1 585 . 1 1 133 133 GLN H H 1 8.47 0.02 . 1 . . . . 138 GLN H . 19209 1 586 . 1 1 133 133 GLN C C 13 179.00 0.30 . 1 . . . . 138 GLN C . 19209 1 587 . 1 1 133 133 GLN CA C 13 57.90 0.30 . 1 . . . . 138 GLN CA . 19209 1 588 . 1 1 133 133 GLN CB C 13 28.80 0.30 . 1 . . . . 138 GLN CB . 19209 1 589 . 1 1 133 133 GLN N N 15 117.40 0.15 . 1 . . . . 138 GLN N . 19209 1 590 . 1 1 134 134 ARG H H 1 8.33 0.02 . 1 . . . . 139 ARG H . 19209 1 591 . 1 1 134 134 ARG C C 13 179.60 0.30 . 1 . . . . 139 ARG C . 19209 1 592 . 1 1 134 134 ARG CA C 13 58.81 0.30 . 1 . . . . 139 ARG CA . 19209 1 593 . 1 1 134 134 ARG CB C 13 27.50 0.30 . 1 . . . . 139 ARG CB . 19209 1 594 . 1 1 134 134 ARG N N 15 117.50 0.15 . 1 . . . . 139 ARG N . 19209 1 595 . 1 1 135 135 GLU H H 1 8.22 0.02 . 1 . . . . 140 GLU H . 19209 1 596 . 1 1 135 135 GLU C C 13 180.40 0.30 . 1 . . . . 140 GLU C . 19209 1 597 . 1 1 135 135 GLU CA C 13 58.72 0.30 . 1 . . . . 140 GLU CA . 19209 1 598 . 1 1 135 135 GLU CB C 13 28.56 0.30 . 1 . . . . 140 GLU CB . 19209 1 599 . 1 1 135 135 GLU N N 15 120.10 0.15 . 1 . . . . 140 GLU N . 19209 1 600 . 1 1 136 136 LYS H H 1 7.71 0.02 . 1 . . . . 141 LYS H . 19209 1 601 . 1 1 136 136 LYS C C 13 178.60 0.30 . 1 . . . . 141 LYS C . 19209 1 602 . 1 1 136 136 LYS CA C 13 59.41 0.30 . 1 . . . . 141 LYS CA . 19209 1 603 . 1 1 136 136 LYS CB C 13 33.13 0.30 . 1 . . . . 141 LYS CB . 19209 1 604 . 1 1 136 136 LYS N N 15 119.90 0.15 . 1 . . . . 141 LYS N . 19209 1 605 . 1 1 137 137 ILE H H 1 8.17 0.02 . 1 . . . . 142 ILE H . 19209 1 606 . 1 1 137 137 ILE C C 13 178.50 0.30 . 1 . . . . 142 ILE C . 19209 1 607 . 1 1 137 137 ILE CA C 13 64.89 0.30 . 1 . . . . 142 ILE CA . 19209 1 608 . 1 1 137 137 ILE CB C 13 37.82 0.30 . 1 . . . . 142 ILE CB . 19209 1 609 . 1 1 137 137 ILE N N 15 120.30 0.15 . 1 . . . . 142 ILE N . 19209 1 610 . 1 1 138 138 GLU H H 1 8.14 0.02 . 1 . . . . 143 GLU H . 19209 1 611 . 1 1 138 138 GLU C C 13 179.30 0.30 . 1 . . . . 143 GLU C . 19209 1 612 . 1 1 138 138 GLU CA C 13 58.82 0.30 . 1 . . . . 143 GLU CA . 19209 1 613 . 1 1 138 138 GLU CB C 13 28.60 0.30 . 1 . . . . 143 GLU CB . 19209 1 614 . 1 1 138 138 GLU N N 15 119.70 0.15 . 1 . . . . 143 GLU N . 19209 1 615 . 1 1 139 139 ALA H H 1 8.28 0.02 . 1 . . . . 144 ALA H . 19209 1 616 . 1 1 139 139 ALA C C 13 179.10 0.30 . 1 . . . . 144 ALA C . 19209 1 617 . 1 1 139 139 ALA CA C 13 54.84 0.30 . 1 . . . . 144 ALA CA . 19209 1 618 . 1 1 139 139 ALA CB C 13 17.97 0.30 . 1 . . . . 144 ALA CB . 19209 1 619 . 1 1 139 139 ALA N N 15 122.70 0.15 . 1 . . . . 144 ALA N . 19209 1 620 . 1 1 140 140 CYS H H 1 7.99 0.02 . 1 . . . . 145 CYS H . 19209 1 621 . 1 1 140 140 CYS C C 13 174.00 0.30 . 1 . . . . 145 CYS C . 19209 1 622 . 1 1 140 140 CYS CA C 13 56.95 0.30 . 1 . . . . 145 CYS CA . 19209 1 623 . 1 1 140 140 CYS CB C 13 28.23 0.30 . 1 . . . . 145 CYS CB . 19209 1 624 . 1 1 140 140 CYS N N 15 109.90 0.15 . 1 . . . . 145 CYS N . 19209 1 625 . 1 1 141 141 ALA H H 1 7.92 0.02 . 1 . . . . 146 ALA H . 19209 1 626 . 1 1 141 141 ALA C C 13 178.40 0.30 . 1 . . . . 146 ALA C . 19209 1 627 . 1 1 141 141 ALA CA C 13 52.43 0.30 . 1 . . . . 146 ALA CA . 19209 1 628 . 1 1 141 141 ALA CB C 13 15.68 0.30 . 1 . . . . 146 ALA CB . 19209 1 629 . 1 1 141 141 ALA N N 15 124.00 0.15 . 1 . . . . 146 ALA N . 19209 1 630 . 1 1 142 142 CYS H H 1 7.58 0.02 . 1 . . . . 147 CYS H . 19209 1 631 . 1 1 142 142 CYS C C 13 176.80 0.30 . 1 . . . . 147 CYS C . 19209 1 632 . 1 1 142 142 CYS CA C 13 58.36 0.30 . 1 . . . . 147 CYS CA . 19209 1 633 . 1 1 142 142 CYS CB C 13 29.21 0.30 . 1 . . . . 147 CYS CB . 19209 1 634 . 1 1 142 142 CYS N N 15 110.60 0.15 . 1 . . . . 147 CYS N . 19209 1 635 . 1 1 143 143 GLN H H 1 9.33 0.02 . 1 . . . . 148 GLN H . 19209 1 636 . 1 1 143 143 GLN C C 13 177.50 0.30 . 1 . . . . 148 GLN C . 19209 1 637 . 1 1 143 143 GLN CA C 13 60.08 0.30 . 1 . . . . 148 GLN CA . 19209 1 638 . 1 1 143 143 GLN CB C 13 26.89 0.30 . 1 . . . . 148 GLN CB . 19209 1 639 . 1 1 143 143 GLN N N 15 124.60 0.15 . 1 . . . . 148 GLN N . 19209 1 640 . 1 1 144 144 SER H H 1 8.08 0.02 . 1 . . . . 149 SER H . 19209 1 641 . 1 1 144 144 SER C C 13 174.40 0.30 . 1 . . . . 149 SER C . 19209 1 642 . 1 1 144 144 SER CA C 13 59.98 0.30 . 1 . . . . 149 SER CA . 19209 1 643 . 1 1 144 144 SER CB C 13 61.93 0.30 . 1 . . . . 149 SER CB . 19209 1 644 . 1 1 144 144 SER N N 15 110.70 0.15 . 1 . . . . 149 SER N . 19209 1 645 . 1 1 145 145 TYR H H 1 7.62 0.02 . 1 . . . . 150 TYR H . 19209 1 646 . 1 1 145 145 TYR C C 13 173.90 0.30 . 1 . . . . 150 TYR C . 19209 1 647 . 1 1 145 145 TYR CA C 13 58.88 0.30 . 1 . . . . 150 TYR CA . 19209 1 648 . 1 1 145 145 TYR CB C 13 37.96 0.30 . 1 . . . . 150 TYR CB . 19209 1 649 . 1 1 145 145 TYR N N 15 117.20 0.15 . 1 . . . . 150 TYR N . 19209 1 650 . 1 1 146 146 PHE H H 1 7.37 0.02 . 1 . . . . 151 PHE H . 19209 1 651 . 1 1 146 146 PHE C C 13 174.80 0.30 . 1 . . . . 151 PHE C . 19209 1 652 . 1 1 146 146 PHE CA C 13 57.36 0.30 . 1 . . . . 151 PHE CA . 19209 1 653 . 1 1 146 146 PHE CB C 13 42.28 0.30 . 1 . . . . 151 PHE CB . 19209 1 654 . 1 1 146 146 PHE N N 15 113.70 0.15 . 1 . . . . 151 PHE N . 19209 1 655 . 1 1 147 147 ASP H H 1 9.41 0.02 . 1 . . . . 152 ASP H . 19209 1 656 . 1 1 147 147 ASP C C 13 176.20 0.30 . 1 . . . . 152 ASP C . 19209 1 657 . 1 1 147 147 ASP CA C 13 57.07 0.30 . 1 . . . . 152 ASP CA . 19209 1 658 . 1 1 147 147 ASP CB C 13 41.29 0.30 . 1 . . . . 152 ASP CB . 19209 1 659 . 1 1 147 147 ASP N N 15 120.70 0.15 . 1 . . . . 152 ASP N . 19209 1 660 . 1 1 148 148 ALA H H 1 7.75 0.02 . 1 . . . . 153 ALA H . 19209 1 661 . 1 1 148 148 ALA C C 13 174.50 0.30 . 1 . . . . 153 ALA C . 19209 1 662 . 1 1 148 148 ALA CA C 13 51.49 0.30 . 1 . . . . 153 ALA CA . 19209 1 663 . 1 1 148 148 ALA CB C 13 21.74 0.30 . 1 . . . . 153 ALA CB . 19209 1 664 . 1 1 148 148 ALA N N 15 116.50 0.15 . 1 . . . . 153 ALA N . 19209 1 665 . 1 1 149 149 VAL H H 1 8.57 0.02 . 1 . . . . 154 VAL H . 19209 1 666 . 1 1 149 149 VAL C C 13 173.70 0.30 . 1 . . . . 154 VAL C . 19209 1 667 . 1 1 149 149 VAL CA C 13 61.00 0.30 . 1 . . . . 154 VAL CA . 19209 1 668 . 1 1 149 149 VAL CB C 13 33.80 0.30 . 1 . . . . 154 VAL CB . 19209 1 669 . 1 1 149 149 VAL N N 15 120.20 0.15 . 1 . . . . 154 VAL N . 19209 1 670 . 1 1 150 150 VAL H H 1 9.66 0.02 . 1 . . . . 155 VAL H . 19209 1 671 . 1 1 150 150 VAL C C 13 172.70 0.30 . 1 . . . . 155 VAL C . 19209 1 672 . 1 1 150 150 VAL CA C 13 61.27 0.30 . 1 . . . . 155 VAL CA . 19209 1 673 . 1 1 150 150 VAL CB C 13 33.57 0.30 . 1 . . . . 155 VAL CB . 19209 1 674 . 1 1 150 150 VAL N N 15 129.10 0.15 . 1 . . . . 155 VAL N . 19209 1 675 . 1 1 151 151 VAL H H 1 8.76 0.02 . 1 . . . . 156 VAL H . 19209 1 676 . 1 1 151 151 VAL C C 13 178.10 0.30 . 1 . . . . 156 VAL C . 19209 1 677 . 1 1 151 151 VAL CA C 13 59.13 0.30 . 1 . . . . 156 VAL CA . 19209 1 678 . 1 1 151 151 VAL CB C 13 32.89 0.30 . 1 . . . . 156 VAL CB . 19209 1 679 . 1 1 151 151 VAL N N 15 127.10 0.15 . 1 . . . . 156 VAL N . 19209 1 680 . 1 1 152 152 GLY H H 1 10.56 0.02 . 1 . . . . 157 GLY H . 19209 1 681 . 1 1 152 152 GLY C C 13 178.10 0.30 . 1 . . . . 157 GLY C . 19209 1 682 . 1 1 152 152 GLY CA C 13 48.86 0.30 . 1 . . . . 157 GLY CA . 19209 1 683 . 1 1 152 152 GLY N N 15 117.00 0.15 . 1 . . . . 157 GLY N . 19209 1 684 . 1 1 153 153 GLY H H 1 8.39 0.02 . 1 . . . . 158 GLY H . 19209 1 685 . 1 1 153 153 GLY C C 13 174.70 0.30 . 1 . . . . 158 GLY C . 19209 1 686 . 1 1 153 153 GLY CA C 13 46.62 0.30 . 1 . . . . 158 GLY CA . 19209 1 687 . 1 1 153 153 GLY N N 15 105.50 0.15 . 1 . . . . 158 GLY N . 19209 1 688 . 1 1 154 154 GLU H H 1 8.12 0.02 . 1 . . . . 159 GLU H . 19209 1 689 . 1 1 154 154 GLU C C 13 176.00 0.30 . 1 . . . . 159 GLU C . 19209 1 690 . 1 1 154 154 GLU CA C 13 55.59 0.30 . 1 . . . . 159 GLU CA . 19209 1 691 . 1 1 154 154 GLU CB C 13 28.86 0.30 . 1 . . . . 159 GLU CB . 19209 1 692 . 1 1 154 154 GLU N N 15 117.80 0.15 . 1 . . . . 159 GLU N . 19209 1 693 . 1 1 155 155 GLN H H 1 7.89 0.02 . 1 . . . . 160 GLN H . 19209 1 694 . 1 1 155 155 GLN C C 13 176.80 0.30 . 1 . . . . 160 GLN C . 19209 1 695 . 1 1 155 155 GLN CA C 13 51.94 0.30 . 1 . . . . 160 GLN CA . 19209 1 696 . 1 1 155 155 GLN CB C 13 29.34 0.30 . 1 . . . . 160 GLN CB . 19209 1 697 . 1 1 155 155 GLN N N 15 117.00 0.15 . 1 . . . . 160 GLN N . 19209 1 698 . 1 1 156 156 ARG H H 1 8.84 0.02 . 1 . . . . 161 ARG H . 19209 1 699 . 1 1 156 156 ARG C C 13 175.70 0.30 . 1 . . . . 161 ARG C . 19209 1 700 . 1 1 156 156 ARG CA C 13 58.86 0.30 . 1 . . . . 161 ARG CA . 19209 1 701 . 1 1 156 156 ARG CB C 13 29.22 0.30 . 1 . . . . 161 ARG CB . 19209 1 702 . 1 1 156 156 ARG N N 15 120.90 0.15 . 1 . . . . 161 ARG N . 19209 1 703 . 1 1 157 157 GLU H H 1 7.49 0.02 . 1 . . . . 162 GLU H . 19209 1 704 . 1 1 157 157 GLU C C 13 173.80 0.30 . 1 . . . . 162 GLU C . 19209 1 705 . 1 1 157 157 GLU CA C 13 53.82 0.30 . 1 . . . . 162 GLU CA . 19209 1 706 . 1 1 157 157 GLU CB C 13 33.53 0.30 . 1 . . . . 162 GLU CB . 19209 1 707 . 1 1 157 157 GLU N N 15 112.90 0.15 . 1 . . . . 162 GLU N . 19209 1 708 . 1 1 158 158 GLU H H 1 8.40 0.02 . 1 . . . . 163 GLU H . 19209 1 709 . 1 1 158 158 GLU C C 13 175.70 0.30 . 1 . . . . 163 GLU C . 19209 1 710 . 1 1 158 158 GLU CA C 13 52.83 0.30 . 1 . . . . 163 GLU CA . 19209 1 711 . 1 1 158 158 GLU CB C 13 29.88 0.30 . 1 . . . . 163 GLU CB . 19209 1 712 . 1 1 158 158 GLU N N 15 117.60 0.15 . 1 . . . . 163 GLU N . 19209 1 713 . 1 1 159 159 LYS H H 1 8.93 0.02 . 1 . . . . 164 LYS H . 19209 1 714 . 1 1 159 159 LYS C C 13 176.80 0.30 . 1 . . . . 164 LYS C . 19209 1 715 . 1 1 159 159 LYS CA C 13 57.01 0.30 . 1 . . . . 164 LYS CA . 19209 1 716 . 1 1 159 159 LYS CB C 13 30.26 0.30 . 1 . . . . 164 LYS CB . 19209 1 717 . 1 1 159 159 LYS N N 15 117.20 0.15 . 1 . . . . 164 LYS N . 19209 1 718 . 1 1 160 160 PRO C C 13 173.40 0.30 . 1 . . . . 165 PRO C . 19209 1 719 . 1 1 160 160 PRO CA C 13 63.78 0.30 . 1 . . . . 165 PRO CA . 19209 1 720 . 1 1 160 160 PRO CB C 13 33.61 0.30 . 1 . . . . 165 PRO CB . 19209 1 721 . 1 1 161 161 ALA H H 1 9.37 0.02 . 1 . . . . 166 ALA H . 19209 1 722 . 1 1 161 161 ALA C C 13 177.20 0.30 . 1 . . . . 166 ALA C . 19209 1 723 . 1 1 161 161 ALA CA C 13 51.00 0.30 . 1 . . . . 166 ALA CA . 19209 1 724 . 1 1 161 161 ALA CB C 13 17.29 0.30 . 1 . . . . 166 ALA CB . 19209 1 725 . 1 1 161 161 ALA N N 15 132.70 0.15 . 1 . . . . 166 ALA N . 19209 1 726 . 1 1 162 162 PRO C C 13 178.10 0.30 . 1 . . . . 167 PRO C . 19209 1 727 . 1 1 162 162 PRO CA C 13 64.32 0.30 . 1 . . . . 167 PRO CA . 19209 1 728 . 1 1 162 162 PRO CB C 13 29.91 0.30 . 1 . . . . 167 PRO CB . 19209 1 729 . 1 1 163 163 SER H H 1 8.39 0.02 . 1 . . . . 168 SER H . 19209 1 730 . 1 1 163 163 SER C C 13 177.90 0.30 . 1 . . . . 168 SER C . 19209 1 731 . 1 1 163 163 SER CA C 13 60.76 0.30 . 1 . . . . 168 SER CA . 19209 1 732 . 1 1 163 163 SER N N 15 111.50 0.15 . 1 . . . . 168 SER N . 19209 1 733 . 1 1 164 164 ILE H H 1 6.96 0.02 . 1 . . . . 169 ILE H . 19209 1 734 . 1 1 164 164 ILE C C 13 177.00 0.30 . 1 . . . . 169 ILE C . 19209 1 735 . 1 1 164 164 ILE CA C 13 64.06 0.30 . 1 . . . . 169 ILE CA . 19209 1 736 . 1 1 164 164 ILE CB C 13 36.66 0.30 . 1 . . . . 169 ILE CB . 19209 1 737 . 1 1 164 164 ILE N N 15 122.60 0.15 . 1 . . . . 169 ILE N . 19209 1 738 . 1 1 165 165 PHE H H 1 7.34 0.02 . 1 . . . . 170 PHE H . 19209 1 739 . 1 1 165 165 PHE C C 13 178.50 0.30 . 1 . . . . 170 PHE C . 19209 1 740 . 1 1 165 165 PHE CA C 13 62.39 0.30 . 1 . . . . 170 PHE CA . 19209 1 741 . 1 1 165 165 PHE CB C 13 38.02 0.30 . 1 . . . . 170 PHE CB . 19209 1 742 . 1 1 165 165 PHE N N 15 123.90 0.15 . 1 . . . . 170 PHE N . 19209 1 743 . 1 1 166 166 TYR H H 1 8.25 0.02 . 1 . . . . 171 TYR H . 19209 1 744 . 1 1 166 166 TYR C C 13 178.60 0.30 . 1 . . . . 171 TYR C . 19209 1 745 . 1 1 166 166 TYR CA C 13 58.72 0.30 . 1 . . . . 171 TYR CA . 19209 1 746 . 1 1 166 166 TYR CB C 13 35.07 0.30 . 1 . . . . 171 TYR CB . 19209 1 747 . 1 1 166 166 TYR N N 15 119.90 0.15 . 1 . . . . 171 TYR N . 19209 1 748 . 1 1 167 167 TYR H H 1 8.25 0.02 . 1 . . . . 172 TYR H . 19209 1 749 . 1 1 167 167 TYR C C 13 177.70 0.30 . 1 . . . . 172 TYR C . 19209 1 750 . 1 1 167 167 TYR CA C 13 61.24 0.30 . 1 . . . . 172 TYR CA . 19209 1 751 . 1 1 167 167 TYR CB C 13 37.18 0.30 . 1 . . . . 172 TYR CB . 19209 1 752 . 1 1 167 167 TYR N N 15 121.40 0.15 . 1 . . . . 172 TYR N . 19209 1 753 . 1 1 168 168 CYS H H 1 7.73 0.02 . 1 . . . . 173 CYS H . 19209 1 754 . 1 1 168 168 CYS C C 13 176.30 0.30 . 1 . . . . 173 CYS C . 19209 1 755 . 1 1 168 168 CYS CA C 13 63.63 0.30 . 1 . . . . 173 CYS CA . 19209 1 756 . 1 1 168 168 CYS CB C 13 27.32 0.30 . 1 . . . . 173 CYS CB . 19209 1 757 . 1 1 168 168 CYS N N 15 118.10 0.15 . 1 . . . . 173 CYS N . 19209 1 758 . 1 1 169 169 CYS H H 1 8.35 0.02 . 1 . . . . 174 CYS H . 19209 1 759 . 1 1 169 169 CYS C C 13 177.10 0.30 . 1 . . . . 174 CYS C . 19209 1 760 . 1 1 169 169 CYS CA C 13 63.53 0.30 . 1 . . . . 174 CYS CA . 19209 1 761 . 1 1 169 169 CYS CB C 13 25.22 0.30 . 1 . . . . 174 CYS CB . 19209 1 762 . 1 1 169 169 CYS N N 15 116.20 0.15 . 1 . . . . 174 CYS N . 19209 1 763 . 1 1 170 170 ASN H H 1 8.27 0.02 . 1 . . . . 175 ASN H . 19209 1 764 . 1 1 170 170 ASN C C 13 178.10 0.30 . 1 . . . . 175 ASN C . 19209 1 765 . 1 1 170 170 ASN CA C 13 55.66 0.30 . 1 . . . . 175 ASN CA . 19209 1 766 . 1 1 170 170 ASN CB C 13 37.62 0.30 . 1 . . . . 175 ASN CB . 19209 1 767 . 1 1 170 170 ASN N N 15 118.70 0.15 . 1 . . . . 175 ASN N . 19209 1 768 . 1 1 171 171 LEU H H 1 8.03 0.02 . 1 . . . . 176 LEU H . 19209 1 769 . 1 1 171 171 LEU C C 13 179.10 0.30 . 1 . . . . 176 LEU C . 19209 1 770 . 1 1 171 171 LEU CA C 13 57.25 0.30 . 1 . . . . 176 LEU CA . 19209 1 771 . 1 1 171 171 LEU CB C 13 41.14 0.30 . 1 . . . . 176 LEU CB . 19209 1 772 . 1 1 171 171 LEU N N 15 121.20 0.15 . 1 . . . . 176 LEU N . 19209 1 773 . 1 1 172 172 LEU H H 1 7.11 0.02 . 1 . . . . 177 LEU H . 19209 1 774 . 1 1 172 172 LEU C C 13 176.90 0.30 . 1 . . . . 177 LEU C . 19209 1 775 . 1 1 172 172 LEU CA C 13 53.76 0.30 . 1 . . . . 177 LEU CA . 19209 1 776 . 1 1 172 172 LEU CB C 13 43.46 0.30 . 1 . . . . 177 LEU CB . 19209 1 777 . 1 1 172 172 LEU N N 15 113.80 0.15 . 1 . . . . 177 LEU N . 19209 1 778 . 1 1 173 173 GLY H H 1 8.02 0.02 . 1 . . . . 178 GLY H . 19209 1 779 . 1 1 173 173 GLY C C 13 175.10 0.30 . 1 . . . . 178 GLY C . 19209 1 780 . 1 1 173 173 GLY CA C 13 46.11 0.30 . 1 . . . . 178 GLY CA . 19209 1 781 . 1 1 173 173 GLY N N 15 109.40 0.15 . 1 . . . . 178 GLY N . 19209 1 782 . 1 1 174 174 VAL H H 1 7.85 0.02 . 1 . . . . 179 VAL H . 19209 1 783 . 1 1 174 174 VAL C C 13 174.30 0.30 . 1 . . . . 179 VAL C . 19209 1 784 . 1 1 174 174 VAL CA C 13 57.93 0.30 . 1 . . . . 179 VAL CA . 19209 1 785 . 1 1 174 174 VAL CB C 13 33.46 0.30 . 1 . . . . 179 VAL CB . 19209 1 786 . 1 1 174 174 VAL N N 15 111.30 0.15 . 1 . . . . 179 VAL N . 19209 1 787 . 1 1 175 175 GLN H H 1 9.09 0.02 . 1 . . . . 180 GLN H . 19209 1 788 . 1 1 175 175 GLN C C 13 176.00 0.30 . 1 . . . . 180 GLN C . 19209 1 789 . 1 1 175 175 GLN CA C 13 52.43 0.30 . 1 . . . . 180 GLN CA . 19209 1 790 . 1 1 175 175 GLN CB C 13 27.73 0.30 . 1 . . . . 180 GLN CB . 19209 1 791 . 1 1 175 175 GLN N N 15 118.80 0.15 . 1 . . . . 180 GLN N . 19209 1 792 . 1 1 176 176 PRO C C 13 178.70 0.30 . 1 . . . . 181 PRO C . 19209 1 793 . 1 1 176 176 PRO CA C 13 66.78 0.30 . 1 . . . . 181 PRO CA . 19209 1 794 . 1 1 176 176 PRO CB C 13 31.08 0.30 . 1 . . . . 181 PRO CB . 19209 1 795 . 1 1 177 177 GLY H H 1 8.62 0.02 . 1 . . . . 182 GLY H . 19209 1 796 . 1 1 177 177 GLY C C 13 173.20 0.30 . 1 . . . . 182 GLY C . 19209 1 797 . 1 1 177 177 GLY CA C 13 45.67 0.30 . 1 . . . . 182 GLY CA . 19209 1 798 . 1 1 177 177 GLY N N 15 102.20 0.15 . 1 . . . . 182 GLY N . 19209 1 799 . 1 1 178 178 ASP H H 1 8.18 0.02 . 1 . . . . 183 ASP H . 19209 1 800 . 1 1 178 178 ASP N N 15 117.50 0.15 . 1 . . . . 183 ASP N . 19209 1 801 . 1 1 180 180 VAL C C 13 173.60 0.30 . 1 . . . . 185 VAL C . 19209 1 802 . 1 1 180 180 VAL CA C 13 59.14 0.30 . 1 . . . . 185 VAL CA . 19209 1 803 . 1 1 180 180 VAL CB C 13 34.69 0.30 . 1 . . . . 185 VAL CB . 19209 1 804 . 1 1 181 181 MET H H 1 7.85 0.02 . 1 . . . . 186 MET H . 19209 1 805 . 1 1 181 181 MET C C 13 172.50 0.30 . 1 . . . . 186 MET C . 19209 1 806 . 1 1 181 181 MET CA C 13 53.03 0.30 . 1 . . . . 186 MET CA . 19209 1 807 . 1 1 181 181 MET CB C 13 34.94 0.30 . 1 . . . . 186 MET CB . 19209 1 808 . 1 1 181 181 MET N N 15 124.30 0.15 . 1 . . . . 186 MET N . 19209 1 809 . 1 1 182 182 VAL H H 1 9.23 0.02 . 1 . . . . 187 VAL H . 19209 1 810 . 1 1 182 182 VAL C C 13 173.80 0.30 . 1 . . . . 187 VAL C . 19209 1 811 . 1 1 182 182 VAL CA C 13 59.39 0.30 . 1 . . . . 187 VAL CA . 19209 1 812 . 1 1 182 182 VAL CB C 13 32.36 0.30 . 1 . . . . 187 VAL CB . 19209 1 813 . 1 1 182 182 VAL N N 15 130.30 0.15 . 1 . . . . 187 VAL N . 19209 1 814 . 1 1 183 183 GLY H H 1 8.32 0.02 . 1 . . . . 188 GLY H . 19209 1 815 . 1 1 183 183 GLY C C 13 173.90 0.30 . 1 . . . . 188 GLY C . 19209 1 816 . 1 1 183 183 GLY CA C 13 46.01 0.30 . 1 . . . . 188 GLY CA . 19209 1 817 . 1 1 183 183 GLY N N 15 106.80 0.15 . 1 . . . . 188 GLY N . 19209 1 818 . 1 1 184 184 ASP H H 1 8.44 0.02 . 1 . . . . 189 ASP H . 19209 1 819 . 1 1 184 184 ASP C C 13 178.20 0.30 . 1 . . . . 189 ASP C . 19209 1 820 . 1 1 184 184 ASP CA C 13 53.72 0.30 . 1 . . . . 189 ASP CA . 19209 1 821 . 1 1 184 184 ASP CB C 13 41.57 0.30 . 1 . . . . 189 ASP CB . 19209 1 822 . 1 1 184 184 ASP N N 15 117.90 0.15 . 1 . . . . 189 ASP N . 19209 1 823 . 1 1 185 185 THR H H 1 9.51 0.02 . 1 . . . . 190 THR H . 19209 1 824 . 1 1 185 185 THR C C 13 175.70 0.30 . 1 . . . . 190 THR C . 19209 1 825 . 1 1 185 185 THR CA C 13 61.80 0.30 . 1 . . . . 190 THR CA . 19209 1 826 . 1 1 185 185 THR CB C 13 67.76 0.30 . 1 . . . . 190 THR CB . 19209 1 827 . 1 1 185 185 THR N N 15 121.60 0.15 . 1 . . . . 190 THR N . 19209 1 828 . 1 1 186 186 LEU H H 1 9.39 0.02 . 1 . . . . 191 LEU H . 19209 1 829 . 1 1 186 186 LEU C C 13 179.00 0.30 . 1 . . . . 191 LEU C . 19209 1 830 . 1 1 186 186 LEU CA C 13 57.33 0.30 . 1 . . . . 191 LEU CA . 19209 1 831 . 1 1 186 186 LEU CB C 13 40.46 0.30 . 1 . . . . 191 LEU CB . 19209 1 832 . 1 1 186 186 LEU N N 15 129.70 0.15 . 1 . . . . 191 LEU N . 19209 1 833 . 1 1 187 187 GLU H H 1 9.31 0.02 . 1 . . . . 192 GLU H . 19209 1 834 . 1 1 187 187 GLU C C 13 175.90 0.30 . 1 . . . . 192 GLU C . 19209 1 835 . 1 1 187 187 GLU CA C 13 59.30 0.30 . 1 . . . . 192 GLU CA . 19209 1 836 . 1 1 187 187 GLU CB C 13 28.08 0.30 . 1 . . . . 192 GLU CB . 19209 1 837 . 1 1 187 187 GLU N N 15 114.40 0.15 . 1 . . . . 192 GLU N . 19209 1 838 . 1 1 188 188 THR H H 1 6.91 0.02 . 1 . . . . 193 THR H . 19209 1 839 . 1 1 188 188 THR C C 13 175.10 0.30 . 1 . . . . 193 THR C . 19209 1 840 . 1 1 188 188 THR CA C 13 59.75 0.30 . 1 . . . . 193 THR CA . 19209 1 841 . 1 1 188 188 THR CB C 13 67.54 0.30 . 1 . . . . 193 THR CB . 19209 1 842 . 1 1 188 188 THR N N 15 105.90 0.15 . 1 . . . . 193 THR N . 19209 1 843 . 1 1 189 189 ASP H H 1 8.36 0.02 . 1 . . . . 194 ASP H . 19209 1 844 . 1 1 189 189 ASP C C 13 176.60 0.30 . 1 . . . . 194 ASP C . 19209 1 845 . 1 1 189 189 ASP CA C 13 58.60 0.30 . 1 . . . . 194 ASP CA . 19209 1 846 . 1 1 189 189 ASP CB C 13 42.12 0.30 . 1 . . . . 194 ASP CB . 19209 1 847 . 1 1 189 189 ASP N N 15 125.80 0.15 . 1 . . . . 194 ASP N . 19209 1 848 . 1 1 190 190 ILE H H 1 7.19 0.02 . 1 . . . . 195 ILE H . 19209 1 849 . 1 1 190 190 ILE C C 13 177.60 0.30 . 1 . . . . 195 ILE C . 19209 1 850 . 1 1 190 190 ILE CA C 13 61.37 0.30 . 1 . . . . 195 ILE CA . 19209 1 851 . 1 1 190 190 ILE CB C 13 32.18 0.30 . 1 . . . . 195 ILE CB . 19209 1 852 . 1 1 190 190 ILE N N 15 116.60 0.15 . 1 . . . . 195 ILE N . 19209 1 853 . 1 1 191 191 GLN H H 1 8.54 0.02 . 1 . . . . 196 GLN H . 19209 1 854 . 1 1 191 191 GLN C C 13 177.50 0.30 . 1 . . . . 196 GLN C . 19209 1 855 . 1 1 191 191 GLN CA C 13 57.32 0.30 . 1 . . . . 196 GLN CA . 19209 1 856 . 1 1 191 191 GLN CB C 13 27.83 0.30 . 1 . . . . 196 GLN CB . 19209 1 857 . 1 1 191 191 GLN N N 15 117.50 0.15 . 1 . . . . 196 GLN N . 19209 1 858 . 1 1 192 192 GLY H H 1 7.41 0.02 . 1 . . . . 197 GLY H . 19209 1 859 . 1 1 192 192 GLY C C 13 173.60 0.30 . 1 . . . . 197 GLY C . 19209 1 860 . 1 1 192 192 GLY CA C 13 47.33 0.30 . 1 . . . . 197 GLY CA . 19209 1 861 . 1 1 192 192 GLY N N 15 104.70 0.15 . 1 . . . . 197 GLY N . 19209 1 862 . 1 1 193 193 GLY H H 1 7.61 0.02 . 1 . . . . 198 GLY H . 19209 1 863 . 1 1 193 193 GLY C C 13 176.20 0.30 . 1 . . . . 198 GLY C . 19209 1 864 . 1 1 193 193 GLY CA C 13 46.00 0.30 . 1 . . . . 198 GLY CA . 19209 1 865 . 1 1 193 193 GLY N N 15 107.30 0.15 . 1 . . . . 198 GLY N . 19209 1 866 . 1 1 194 194 LEU H H 1 8.27 0.02 . 1 . . . . 199 LEU H . 19209 1 867 . 1 1 194 194 LEU C C 13 180.50 0.30 . 1 . . . . 199 LEU C . 19209 1 868 . 1 1 194 194 LEU CA C 13 57.18 0.30 . 1 . . . . 199 LEU CA . 19209 1 869 . 1 1 194 194 LEU CB C 13 39.76 0.30 . 1 . . . . 199 LEU CB . 19209 1 870 . 1 1 194 194 LEU N N 15 122.10 0.15 . 1 . . . . 199 LEU N . 19209 1 871 . 1 1 195 195 ASN H H 1 8.72 0.02 . 1 . . . . 200 ASN H . 19209 1 872 . 1 1 195 195 ASN C C 13 177.00 0.30 . 1 . . . . 200 ASN C . 19209 1 873 . 1 1 195 195 ASN CA C 13 54.46 0.30 . 1 . . . . 200 ASN CA . 19209 1 874 . 1 1 195 195 ASN CB C 13 36.96 0.30 . 1 . . . . 200 ASN CB . 19209 1 875 . 1 1 195 195 ASN N N 15 120.10 0.15 . 1 . . . . 200 ASN N . 19209 1 876 . 1 1 196 196 ALA H H 1 7.65 0.02 . 1 . . . . 201 ALA H . 19209 1 877 . 1 1 196 196 ALA C C 13 176.50 0.30 . 1 . . . . 201 ALA C . 19209 1 878 . 1 1 196 196 ALA CA C 13 50.65 0.30 . 1 . . . . 201 ALA CA . 19209 1 879 . 1 1 196 196 ALA CB C 13 19.04 0.30 . 1 . . . . 201 ALA CB . 19209 1 880 . 1 1 196 196 ALA N N 15 117.90 0.15 . 1 . . . . 201 ALA N . 19209 1 881 . 1 1 197 197 GLY H H 1 7.48 0.02 . 1 . . . . 202 GLY H . 19209 1 882 . 1 1 197 197 GLY C C 13 175.10 0.30 . 1 . . . . 202 GLY C . 19209 1 883 . 1 1 197 197 GLY CA C 13 46.26 0.30 . 1 . . . . 202 GLY CA . 19209 1 884 . 1 1 197 197 GLY N N 15 105.90 0.15 . 1 . . . . 202 GLY N . 19209 1 885 . 1 1 198 198 LEU H H 1 7.39 0.02 . 1 . . . . 203 LEU H . 19209 1 886 . 1 1 198 198 LEU C C 13 176.90 0.30 . 1 . . . . 203 LEU C . 19209 1 887 . 1 1 198 198 LEU CA C 13 54.15 0.30 . 1 . . . . 203 LEU CA . 19209 1 888 . 1 1 198 198 LEU CB C 13 38.45 0.30 . 1 . . . . 203 LEU CB . 19209 1 889 . 1 1 198 198 LEU N N 15 115.70 0.15 . 1 . . . . 203 LEU N . 19209 1 890 . 1 1 199 199 LYS H H 1 7.88 0.02 . 1 . . . . 204 LYS H . 19209 1 891 . 1 1 199 199 LYS C C 13 176.50 0.30 . 1 . . . . 204 LYS C . 19209 1 892 . 1 1 199 199 LYS CA C 13 58.65 0.30 . 1 . . . . 204 LYS CA . 19209 1 893 . 1 1 199 199 LYS CB C 13 30.73 0.30 . 1 . . . . 204 LYS CB . 19209 1 894 . 1 1 199 199 LYS N N 15 121.30 0.15 . 1 . . . . 204 LYS N . 19209 1 895 . 1 1 200 200 ALA H H 1 7.05 0.02 . 1 . . . . 205 ALA H . 19209 1 896 . 1 1 200 200 ALA C C 13 174.30 0.30 . 1 . . . . 205 ALA C . 19209 1 897 . 1 1 200 200 ALA CA C 13 50.02 0.30 . 1 . . . . 205 ALA CA . 19209 1 898 . 1 1 200 200 ALA CB C 13 21.52 0.30 . 1 . . . . 205 ALA CB . 19209 1 899 . 1 1 200 200 ALA N N 15 108.50 0.15 . 1 . . . . 205 ALA N . 19209 1 900 . 1 1 201 201 THR H H 1 8.45 0.02 . 1 . . . . 206 THR H . 19209 1 901 . 1 1 201 201 THR C C 13 172.90 0.30 . 1 . . . . 206 THR C . 19209 1 902 . 1 1 201 201 THR CA C 13 58.87 0.30 . 1 . . . . 206 THR CA . 19209 1 903 . 1 1 201 201 THR CB C 13 71.54 0.30 . 1 . . . . 206 THR CB . 19209 1 904 . 1 1 201 201 THR N N 15 113.50 0.15 . 1 . . . . 206 THR N . 19209 1 905 . 1 1 202 202 VAL H H 1 9.33 0.02 . 1 . . . . 207 VAL H . 19209 1 906 . 1 1 202 202 VAL C C 13 173.10 0.30 . 1 . . . . 207 VAL C . 19209 1 907 . 1 1 202 202 VAL CA C 13 59.99 0.30 . 1 . . . . 207 VAL CA . 19209 1 908 . 1 1 202 202 VAL CB C 13 32.60 0.30 . 1 . . . . 207 VAL CB . 19209 1 909 . 1 1 202 202 VAL N N 15 123.30 0.15 . 1 . . . . 207 VAL N . 19209 1 910 . 1 1 203 203 TRP H H 1 9.07 0.02 . 1 . . . . 208 TRP H . 19209 1 911 . 1 1 203 203 TRP C C 13 174.90 0.30 . 1 . . . . 208 TRP C . 19209 1 912 . 1 1 203 203 TRP CA C 13 53.36 0.30 . 1 . . . . 208 TRP CA . 19209 1 913 . 1 1 203 203 TRP CB C 13 30.35 0.30 . 1 . . . . 208 TRP CB . 19209 1 914 . 1 1 203 203 TRP N N 15 126.60 0.15 . 1 . . . . 208 TRP N . 19209 1 915 . 1 1 204 204 ILE H H 1 8.47 0.02 . 1 . . . . 209 ILE H . 19209 1 916 . 1 1 204 204 ILE C C 13 173.40 0.30 . 1 . . . . 209 ILE C . 19209 1 917 . 1 1 204 204 ILE CA C 13 58.79 0.30 . 1 . . . . 209 ILE CA . 19209 1 918 . 1 1 204 204 ILE CB C 13 35.21 0.30 . 1 . . . . 209 ILE CB . 19209 1 919 . 1 1 204 204 ILE N N 15 128.90 0.15 . 1 . . . . 209 ILE N . 19209 1 920 . 1 1 205 205 ASN H H 1 8.40 0.02 . 1 . . . . 210 ASN H . 19209 1 921 . 1 1 205 205 ASN C C 13 175.70 0.30 . 1 . . . . 210 ASN C . 19209 1 922 . 1 1 205 205 ASN CA C 13 48.92 0.30 . 1 . . . . 210 ASN CA . 19209 1 923 . 1 1 205 205 ASN CB C 13 35.74 0.30 . 1 . . . . 210 ASN CB . 19209 1 924 . 1 1 205 205 ASN N N 15 126.40 0.15 . 1 . . . . 210 ASN N . 19209 1 925 . 1 1 206 206 LYS H H 1 8.60 0.02 . 1 . . . . 211 LYS H . 19209 1 926 . 1 1 206 206 LYS C C 13 177.90 0.30 . 1 . . . . 211 LYS C . 19209 1 927 . 1 1 206 206 LYS CA C 13 58.31 0.30 . 1 . . . . 211 LYS CA . 19209 1 928 . 1 1 206 206 LYS CB C 13 31.89 0.30 . 1 . . . . 211 LYS CB . 19209 1 929 . 1 1 206 206 LYS N N 15 122.90 0.15 . 1 . . . . 211 LYS N . 19209 1 930 . 1 1 207 207 ASN H H 1 8.57 0.02 . 1 . . . . 212 ASN H . 19209 1 931 . 1 1 207 207 ASN C C 13 175.60 0.30 . 1 . . . . 212 ASN C . 19209 1 932 . 1 1 207 207 ASN CA C 13 52.37 0.30 . 1 . . . . 212 ASN CA . 19209 1 933 . 1 1 207 207 ASN CB C 13 38.23 0.30 . 1 . . . . 212 ASN CB . 19209 1 934 . 1 1 207 207 ASN N N 15 113.50 0.15 . 1 . . . . 212 ASN N . 19209 1 935 . 1 1 208 208 GLY H H 1 7.30 0.02 . 1 . . . . 213 GLY H . 19209 1 936 . 1 1 208 208 GLY C C 13 175.00 0.30 . 1 . . . . 213 GLY C . 19209 1 937 . 1 1 208 208 GLY CA C 13 46.91 0.30 . 1 . . . . 213 GLY CA . 19209 1 938 . 1 1 208 208 GLY N N 15 109.10 0.15 . 1 . . . . 213 GLY N . 19209 1 939 . 1 1 209 209 ILE H H 1 8.16 0.02 . 1 . . . . 214 ILE H . 19209 1 940 . 1 1 209 209 ILE C C 13 176.60 0.30 . 1 . . . . 214 ILE C . 19209 1 941 . 1 1 209 209 ILE CA C 13 60.89 0.30 . 1 . . . . 214 ILE CA . 19209 1 942 . 1 1 209 209 ILE CB C 13 37.78 0.30 . 1 . . . . 214 ILE CB . 19209 1 943 . 1 1 209 209 ILE N N 15 118.80 0.15 . 1 . . . . 214 ILE N . 19209 1 944 . 1 1 210 210 VAL H H 1 8.71 0.02 . 1 . . . . 215 VAL H . 19209 1 945 . 1 1 210 210 VAL C C 13 174.60 0.30 . 1 . . . . 215 VAL C . 19209 1 946 . 1 1 210 210 VAL CA C 13 59.33 0.30 . 1 . . . . 215 VAL CA . 19209 1 947 . 1 1 210 210 VAL CB C 13 31.39 0.30 . 1 . . . . 215 VAL CB . 19209 1 948 . 1 1 210 210 VAL N N 15 127.10 0.15 . 1 . . . . 215 VAL N . 19209 1 949 . 1 1 211 211 PRO C C 13 176.80 0.30 . 1 . . . . 216 PRO C . 19209 1 950 . 1 1 211 211 PRO CA C 13 61.87 0.30 . 1 . . . . 216 PRO CA . 19209 1 951 . 1 1 211 211 PRO CB C 13 31.97 0.30 . 1 . . . . 216 PRO CB . 19209 1 952 . 1 1 212 212 LEU H H 1 8.28 0.02 . 1 . . . . 217 LEU H . 19209 1 953 . 1 1 212 212 LEU C C 13 179.70 0.30 . 1 . . . . 217 LEU C . 19209 1 954 . 1 1 212 212 LEU CA C 13 54.12 0.30 . 1 . . . . 217 LEU CA . 19209 1 955 . 1 1 212 212 LEU CB C 13 41.49 0.30 . 1 . . . . 217 LEU CB . 19209 1 956 . 1 1 212 212 LEU N N 15 119.90 0.15 . 1 . . . . 217 LEU N . 19209 1 957 . 1 1 214 214 SER C C 13 175.00 0.30 . 1 . . . . 219 SER C . 19209 1 958 . 1 1 214 214 SER CA C 13 57.44 0.30 . 1 . . . . 219 SER CA . 19209 1 959 . 1 1 214 214 SER CB C 13 62.26 0.30 . 1 . . . . 219 SER CB . 19209 1 960 . 1 1 215 215 SER H H 1 7.48 0.02 . 1 . . . . 220 SER H . 19209 1 961 . 1 1 215 215 SER C C 13 171.00 0.30 . 1 . . . . 220 SER C . 19209 1 962 . 1 1 215 215 SER CA C 13 58.14 0.30 . 1 . . . . 220 SER CA . 19209 1 963 . 1 1 215 215 SER CB C 13 61.37 0.30 . 1 . . . . 220 SER CB . 19209 1 964 . 1 1 215 215 SER N N 15 119.80 0.15 . 1 . . . . 220 SER N . 19209 1 965 . 1 1 216 216 PRO C C 13 174.40 0.30 . 1 . . . . 221 PRO C . 19209 1 966 . 1 1 216 216 PRO CA C 13 62.15 0.30 . 1 . . . . 221 PRO CA . 19209 1 967 . 1 1 216 216 PRO CB C 13 30.90 0.30 . 1 . . . . 221 PRO CB . 19209 1 968 . 1 1 217 217 VAL H H 1 7.91 0.02 . 1 . . . . 222 VAL H . 19209 1 969 . 1 1 217 217 VAL C C 13 174.10 0.30 . 1 . . . . 222 VAL C . 19209 1 970 . 1 1 217 217 VAL CA C 13 58.20 0.30 . 1 . . . . 222 VAL CA . 19209 1 971 . 1 1 217 217 VAL CB C 13 31.92 0.30 . 1 . . . . 222 VAL CB . 19209 1 972 . 1 1 217 217 VAL N N 15 122.50 0.15 . 1 . . . . 222 VAL N . 19209 1 973 . 1 1 218 218 PRO C C 13 176.40 0.30 . 1 . . . . 223 PRO C . 19209 1 974 . 1 1 218 218 PRO CA C 13 60.33 0.30 . 1 . . . . 223 PRO CA . 19209 1 975 . 1 1 218 218 PRO CB C 13 31.22 0.30 . 1 . . . . 223 PRO CB . 19209 1 976 . 1 1 219 219 HIS H H 1 8.22 0.02 . 1 . . . . 224 HIS H . 19209 1 977 . 1 1 219 219 HIS C C 13 175.80 0.30 . 1 . . . . 224 HIS C . 19209 1 978 . 1 1 219 219 HIS CA C 13 60.70 0.30 . 1 . . . . 224 HIS CA . 19209 1 979 . 1 1 219 219 HIS CB C 13 30.96 0.30 . 1 . . . . 224 HIS CB . 19209 1 980 . 1 1 219 219 HIS N N 15 119.60 0.15 . 1 . . . . 224 HIS N . 19209 1 981 . 1 1 220 220 TYR H H 1 8.07 0.02 . 1 . . . . 225 TYR H . 19209 1 982 . 1 1 220 220 TYR C C 13 173.40 0.30 . 1 . . . . 225 TYR C . 19209 1 983 . 1 1 220 220 TYR CA C 13 56.07 0.30 . 1 . . . . 225 TYR CA . 19209 1 984 . 1 1 220 220 TYR CB C 13 43.34 0.30 . 1 . . . . 225 TYR CB . 19209 1 985 . 1 1 220 220 TYR N N 15 111.90 0.15 . 1 . . . . 225 TYR N . 19209 1 986 . 1 1 221 221 MET H H 1 8.92 0.02 . 1 . . . . 226 MET H . 19209 1 987 . 1 1 221 221 MET C C 13 174.60 0.30 . 1 . . . . 226 MET C . 19209 1 988 . 1 1 221 221 MET CA C 13 54.11 0.30 . 1 . . . . 226 MET CA . 19209 1 989 . 1 1 221 221 MET CB C 13 36.08 0.30 . 1 . . . . 226 MET CB . 19209 1 990 . 1 1 221 221 MET N N 15 122.00 0.15 . 1 . . . . 226 MET N . 19209 1 991 . 1 1 222 222 VAL H H 1 8.67 0.02 . 1 . . . . 227 VAL H . 19209 1 992 . 1 1 222 222 VAL C C 13 174.70 0.30 . 1 . . . . 227 VAL C . 19209 1 993 . 1 1 222 222 VAL CA C 13 58.37 0.30 . 1 . . . . 227 VAL CA . 19209 1 994 . 1 1 222 222 VAL CB C 13 34.06 0.30 . 1 . . . . 227 VAL CB . 19209 1 995 . 1 1 222 222 VAL N N 15 116.90 0.15 . 1 . . . . 227 VAL N . 19209 1 996 . 1 1 223 223 SER H H 1 8.99 0.02 . 1 . . . . 228 SER H . 19209 1 997 . 1 1 223 223 SER C C 13 173.60 0.30 . 1 . . . . 228 SER C . 19209 1 998 . 1 1 223 223 SER CA C 13 58.68 0.30 . 1 . . . . 228 SER CA . 19209 1 999 . 1 1 223 223 SER CB C 13 63.37 0.30 . 1 . . . . 228 SER CB . 19209 1 1000 . 1 1 223 223 SER N N 15 115.60 0.15 . 1 . . . . 228 SER N . 19209 1 1001 . 1 1 224 224 SER H H 1 7.41 0.02 . 1 . . . . 229 SER H . 19209 1 1002 . 1 1 224 224 SER C C 13 175.20 0.30 . 1 . . . . 229 SER C . 19209 1 1003 . 1 1 224 224 SER CA C 13 55.57 0.30 . 1 . . . . 229 SER CA . 19209 1 1004 . 1 1 224 224 SER CB C 13 64.64 0.30 . 1 . . . . 229 SER CB . 19209 1 1005 . 1 1 224 224 SER N N 15 112.10 0.15 . 1 . . . . 229 SER N . 19209 1 1006 . 1 1 225 225 VAL H H 1 9.32 0.02 . 1 . . . . 230 VAL H . 19209 1 1007 . 1 1 225 225 VAL C C 13 175.80 0.30 . 1 . . . . 230 VAL C . 19209 1 1008 . 1 1 225 225 VAL CA C 13 63.81 0.30 . 1 . . . . 230 VAL CA . 19209 1 1009 . 1 1 225 225 VAL CB C 13 30.81 0.30 . 1 . . . . 230 VAL CB . 19209 1 1010 . 1 1 225 225 VAL N N 15 123.80 0.15 . 1 . . . . 230 VAL N . 19209 1 1011 . 1 1 226 226 LEU H H 1 7.96 0.02 . 1 . . . . 231 LEU H . 19209 1 1012 . 1 1 226 226 LEU C C 13 178.60 0.30 . 1 . . . . 231 LEU C . 19209 1 1013 . 1 1 226 226 LEU CA C 13 55.72 0.30 . 1 . . . . 231 LEU CA . 19209 1 1014 . 1 1 226 226 LEU CB C 13 39.20 0.30 . 1 . . . . 231 LEU CB . 19209 1 1015 . 1 1 226 226 LEU N N 15 117.90 0.15 . 1 . . . . 231 LEU N . 19209 1 1016 . 1 1 227 227 GLU H H 1 7.51 0.02 . 1 . . . . 232 GLU H . 19209 1 1017 . 1 1 227 227 GLU C C 13 177.00 0.30 . 1 . . . . 232 GLU C . 19209 1 1018 . 1 1 227 227 GLU CA C 13 56.28 0.30 . 1 . . . . 232 GLU CA . 19209 1 1019 . 1 1 227 227 GLU CB C 13 29.70 0.30 . 1 . . . . 232 GLU CB . 19209 1 1020 . 1 1 227 227 GLU N N 15 116.60 0.15 . 1 . . . . 232 GLU N . 19209 1 1021 . 1 1 228 228 LEU H H 1 7.77 0.02 . 1 . . . . 233 LEU H . 19209 1 1022 . 1 1 228 228 LEU C C 13 174.60 0.30 . 1 . . . . 233 LEU C . 19209 1 1023 . 1 1 228 228 LEU CA C 13 57.78 0.30 . 1 . . . . 233 LEU CA . 19209 1 1024 . 1 1 228 228 LEU CB C 13 39.06 0.30 . 1 . . . . 233 LEU CB . 19209 1 1025 . 1 1 228 228 LEU N N 15 119.20 0.15 . 1 . . . . 233 LEU N . 19209 1 1026 . 1 1 229 229 PRO C C 13 178.50 0.30 . 1 . . . . 234 PRO C . 19209 1 1027 . 1 1 229 229 PRO CA C 13 67.16 0.30 . 1 . . . . 234 PRO CA . 19209 1 1028 . 1 1 229 229 PRO CB C 13 29.32 0.30 . 1 . . . . 234 PRO CB . 19209 1 1029 . 1 1 230 230 ALA H H 1 8.07 0.02 . 1 . . . . 235 ALA H . 19209 1 1030 . 1 1 230 230 ALA C C 13 180.60 0.30 . 1 . . . . 235 ALA C . 19209 1 1031 . 1 1 230 230 ALA CA C 13 54.10 0.30 . 1 . . . . 235 ALA CA . 19209 1 1032 . 1 1 230 230 ALA CB C 13 17.13 0.30 . 1 . . . . 235 ALA CB . 19209 1 1033 . 1 1 230 230 ALA N N 15 117.80 0.15 . 1 . . . . 235 ALA N . 19209 1 1034 . 1 1 231 231 LEU H H 1 7.48 0.02 . 1 . . . . 236 LEU H . 19209 1 1035 . 1 1 231 231 LEU C C 13 179.90 0.30 . 1 . . . . 236 LEU C . 19209 1 1036 . 1 1 231 231 LEU CA C 13 57.28 0.30 . 1 . . . . 236 LEU CA . 19209 1 1037 . 1 1 231 231 LEU CB C 13 40.70 0.30 . 1 . . . . 236 LEU CB . 19209 1 1038 . 1 1 231 231 LEU N N 15 120.10 0.15 . 1 . . . . 236 LEU N . 19209 1 1039 . 1 1 232 232 LEU H H 1 8.69 0.02 . 1 . . . . 237 LEU H . 19209 1 1040 . 1 1 232 232 LEU C C 13 179.20 0.30 . 1 . . . . 237 LEU C . 19209 1 1041 . 1 1 232 232 LEU CA C 13 57.19 0.30 . 1 . . . . 237 LEU CA . 19209 1 1042 . 1 1 232 232 LEU CB C 13 39.39 0.30 . 1 . . . . 237 LEU CB . 19209 1 1043 . 1 1 232 232 LEU N N 15 117.90 0.15 . 1 . . . . 237 LEU N . 19209 1 1044 . 1 1 233 233 GLN H H 1 7.86 0.02 . 1 . . . . 238 GLN H . 19209 1 1045 . 1 1 233 233 GLN C C 13 178.20 0.30 . 1 . . . . 238 GLN C . 19209 1 1046 . 1 1 233 233 GLN CA C 13 57.68 0.30 . 1 . . . . 238 GLN CA . 19209 1 1047 . 1 1 233 233 GLN CB C 13 27.38 0.30 . 1 . . . . 238 GLN CB . 19209 1 1048 . 1 1 233 233 GLN N N 15 116.90 0.15 . 1 . . . . 238 GLN N . 19209 1 1049 . 1 1 234 234 SER H H 1 7.73 0.02 . 1 . . . . 239 SER H . 19209 1 1050 . 1 1 234 234 SER C C 13 175.70 0.30 . 1 . . . . 239 SER C . 19209 1 1051 . 1 1 234 234 SER CA C 13 59.93 0.30 . 1 . . . . 239 SER CA . 19209 1 1052 . 1 1 234 234 SER CB C 13 62.88 0.30 . 1 . . . . 239 SER CB . 19209 1 1053 . 1 1 234 234 SER N N 15 114.80 0.15 . 1 . . . . 239 SER N . 19209 1 1054 . 1 1 235 235 ILE C C 13 176.30 0.30 . 1 . . . . 240 ILE C . 19209 1 1055 . 1 1 235 235 ILE CA C 13 62.51 0.30 . 1 . . . . 240 ILE CA . 19209 1 1056 . 1 1 235 235 ILE CB C 13 36.87 0.30 . 1 . . . . 240 ILE CB . 19209 1 1057 . 1 1 236 236 ASP H H 1 7.92 0.02 . 1 . . . . 241 ASP H . 19209 1 1058 . 1 1 236 236 ASP C C 13 176.10 0.30 . 1 . . . . 241 ASP C . 19209 1 1059 . 1 1 236 236 ASP CA C 13 55.12 0.30 . 1 . . . . 241 ASP CA . 19209 1 1060 . 1 1 236 236 ASP CB C 13 39.87 0.30 . 1 . . . . 241 ASP CB . 19209 1 1061 . 1 1 236 236 ASP N N 15 118.90 0.15 . 1 . . . . 241 ASP N . 19209 1 1062 . 1 1 237 237 CYS H H 1 7.91 0.02 . 1 . . . . 242 CYS H . 19209 1 1063 . 1 1 237 237 CYS C C 13 174.10 0.30 . 1 . . . . 242 CYS C . 19209 1 1064 . 1 1 237 237 CYS CA C 13 59.22 0.30 . 1 . . . . 242 CYS CA . 19209 1 1065 . 1 1 237 237 CYS CB C 13 27.64 0.30 . 1 . . . . 242 CYS CB . 19209 1 1066 . 1 1 237 237 CYS N N 15 115.10 0.15 . 1 . . . . 242 CYS N . 19209 1 1067 . 1 1 240 240 PRO C C 13 176.10 0.30 . 1 . . . . 245 PRO C . 19209 1 1068 . 1 1 240 240 PRO CA C 13 63.00 0.30 . 1 . . . . 245 PRO CA . 19209 1 1069 . 1 1 240 240 PRO CB C 13 30.96 0.30 . 1 . . . . 245 PRO CB . 19209 1 1070 . 1 1 241 241 ARG H H 1 8.00 0.02 . 1 . . . . 246 ARG H . 19209 1 1071 . 1 1 241 241 ARG C C 13 181.30 0.30 . 1 . . . . 246 ARG C . 19209 1 1072 . 1 1 241 241 ARG CA C 13 56.81 0.30 . 1 . . . . 246 ARG CA . 19209 1 1073 . 1 1 241 241 ARG CB C 13 30.65 0.30 . 1 . . . . 246 ARG CB . 19209 1 1074 . 1 1 241 241 ARG N N 15 126.80 0.15 . 1 . . . . 246 ARG N . 19209 1 stop_ save_