data_17819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17819 _Entry.Title ; Backbone 1H, 13C, 15N assignment of Hck kinase regulatory segment complex with full length Nef ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-29 _Entry.Accession_date 2011-07-29 _Entry.Last_release_date 2014-04-23 _Entry.Original_release_date 2014-04-23 _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 Jinwon Jung . . . 17819 2 In-Ja Byeon . L. . 17819 3 Jinwoo Ahn . . . 17819 4 Angela Gronenborn . M. . 17819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 17819 '15N chemical shifts' 146 17819 '1H chemical shifts' 146 17819 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 . . 2014-04-23 2011-07-29 original author . 17819 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17819 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21365684 _Citation.Full_citation . _Citation.Title 'Structure, dynamics, and Hck interaction of full-length HIV-1 Nef.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 5 _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 1609 _Citation.Page_last 1622 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jinwon Jung . . . 17819 1 2 In-Ja Byeon . L. . 17819 1 3 Jinwoo Ahn . . . 17819 1 4 Angela Gronenborn . M. . 17819 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AIDS 17819 1 Hck 17819 1 HIV 17819 1 Nef 17819 1 SH2 17819 1 SH3 17819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17819 _Assembly.ID 1 _Assembly.Name Hck32L/Nef _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Hck32L 1 $Hck32L A . yes native yes no . . . 17819 1 2 Nef 2 $Nef B . no native no no . . . 17819 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 . . 'Slow exchange' 17819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hck32L _Entity.Sf_category entity _Entity.Sf_framecode Hck32L _Entity.Entry_ID 17819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hck32L _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 ; GIREAGSEDIIVVALYDYEA IHHEDLSFQKGDQMVVLEES GEWWKARSLATRKEGYIPSN YVARVDSLETEEWFFKGISR KDAERQLLAPGNMLGSFMIR DSETTKGSYSLSVRDYDPRQ GDTVKHYKIRTLDNGGFYIS PRSTFSTLQELVDHYKKGND GLCQKLSVPCMSSKPQKPWE KDAWELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This construct is 72-256 of Hck kinase. Last 8 residues (LEHHHHHH) are a histag.' _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'regulatory domain of Hck kinase' _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 yes UNP P08631 . Hck . . . . . . . . . . . . . . 17819 1 2 no BMRB 17740 . Hck32L . . . . . 100.00 193 100.00 100.00 6.36e-141 . . . . 17819 1 3 no PDB 1AD5 . "Src Family Kinase Hck-Amp-Pnp Complex" . . . . . 92.75 438 99.44 100.00 1.62e-126 . . . . 17819 1 4 no PDB 1QCF . "Crystal Structure Of Hck In Complex With A Src Family- Selective Tyrosine Kinase Inhibitor" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 5 no PDB 2C0I . "Src Family Kinase Hck With Bound Inhibitor A-420983" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 6 no PDB 2C0O . "Src Family Kinase Hck With Bound Inhibitor A-770041" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 7 no PDB 2C0T . "Src Family Kinase Hck With Bound Inhibitor A-641359" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 8 no PDB 2HCK . "Src Family Kinase Hck-Quercetin Complex" . . . . . 92.75 438 99.44 100.00 1.62e-126 . . . . 17819 1 9 no PDB 3HCK . "Nmr Ensemble Of The Uncomplexed Human Hck Sh2 Domain, 20 Structures" . . . . . 55.44 107 99.07 100.00 1.18e-71 . . . . 17819 1 10 no PDB 3NHN . "Crystal Structure Of The Src-Family Kinase Hck Sh3-Sh2-Linker Regulatory Region" . . . . . 100.00 193 100.00 100.00 6.36e-141 . . . . 17819 1 11 no PDB 3VRY . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 12 no PDB 3VRZ . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 13 no PDB 3VS0 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor N-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 14 no PDB 3VS1 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 15 no PDB 3VS2 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenox" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 16 no PDB 3VS3 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 17 no PDB 3VS4 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrr" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 18 no PDB 3VS5 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrol" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 19 no PDB 3VS6 . "Crystal Structure Of Hck Complexed With A Pyrazolo-pyrimidine Inhibitor Tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 20 no PDB 3VS7 . "Crystal Structure Of Hck Complexed With A Pyrazolo-pyrimidine Inhibitor 1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h- Pyr" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 21 no PDB 4LUD . "Crystal Structure Of Hck In Complex With The Fluorescent Compound Skf86002" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 22 no PDB 4LUE . "Crystal Structure Of Hck In Complex With 7-[trans-4-(4- Methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3- D]" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17819 1 23 no DBJ BAB15482 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 505 98.92 99.46 2.12e-129 . . . . 17819 1 24 no DBJ BAF82585 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 504 97.85 99.46 1.99e-127 . . . . 17819 1 25 no DBJ BAF83617 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 506 99.46 100.00 3.43e-131 . . . . 17819 1 26 no DBJ BAG60878 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17819 1 27 no EMBL CAC44031 . "hck protein [Macaca fascicularis]" . . . . . 96.37 504 97.31 98.92 6.46e-126 . . . . 17819 1 28 no GB AAA52643 . "protein-tyrosine kinase [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 2.89e-131 . . . . 17819 1 29 no GB AAA52644 . "protein-tyrosine kinase [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17819 1 30 no GB AAH14435 . "Hemopoietic cell kinase [Homo sapiens]" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17819 1 31 no GB AAH94847 . "Hemopoietic cell kinase [Homo sapiens]" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17819 1 32 no GB AAI08931 . "Hemopoietic cell kinase [Homo sapiens]" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17819 1 33 no REF NP_001165600 . "tyrosine-protein kinase HCK isoform b [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17819 1 34 no REF NP_001165601 . "tyrosine-protein kinase HCK isoform c [Homo sapiens]" . . . . . 96.37 525 98.92 99.46 2.94e-128 . . . . 17819 1 35 no REF NP_001165602 . "tyrosine-protein kinase HCK isoform d [Homo sapiens]" . . . . . 96.37 504 98.92 99.46 1.42e-128 . . . . 17819 1 36 no REF NP_001165603 . "tyrosine-protein kinase HCK isoform e [Homo sapiens]" . . . . . 96.37 506 99.46 100.00 3.43e-131 . . . . 17819 1 37 no REF NP_001165604 . "tyrosine-protein kinase HCK isoform b [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17819 1 38 no SP P08631 . "RecName: Full=Tyrosine-protein kinase HCK; AltName: Full=Hematopoietic cell kinase; AltName: Full=Hemopoietic cell kinase; AltN" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17819 1 39 no SP Q95M30 . "RecName: Full=Tyrosine-protein kinase HCK; AltName: Full=Hematopoietic cell kinase; AltName: Full=Hemopoietic cell kinase; AltN" . . . . . 96.37 504 97.31 98.92 6.46e-126 . . . . 17819 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulatory domain of Hck' 17819 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 72 GLY . 17819 1 2 73 ILE . 17819 1 3 74 ARG . 17819 1 4 75 GLU . 17819 1 5 76 ALA . 17819 1 6 77 GLY . 17819 1 7 78 SER . 17819 1 8 79 GLU . 17819 1 9 80 ASP . 17819 1 10 81 ILE . 17819 1 11 82 ILE . 17819 1 12 83 VAL . 17819 1 13 84 VAL . 17819 1 14 85 ALA . 17819 1 15 86 LEU . 17819 1 16 87 TYR . 17819 1 17 88 ASP . 17819 1 18 89 TYR . 17819 1 19 90 GLU . 17819 1 20 91 ALA . 17819 1 21 92 ILE . 17819 1 22 93 HIS . 17819 1 23 94 HIS . 17819 1 24 95 GLU . 17819 1 25 96 ASP . 17819 1 26 97 LEU . 17819 1 27 98 SER . 17819 1 28 99 PHE . 17819 1 29 100 GLN . 17819 1 30 101 LYS . 17819 1 31 102 GLY . 17819 1 32 103 ASP . 17819 1 33 104 GLN . 17819 1 34 105 MET . 17819 1 35 106 VAL . 17819 1 36 107 VAL . 17819 1 37 108 LEU . 17819 1 38 109 GLU . 17819 1 39 110 GLU . 17819 1 40 111 SER . 17819 1 41 112 GLY . 17819 1 42 113 GLU . 17819 1 43 114 TRP . 17819 1 44 115 TRP . 17819 1 45 116 LYS . 17819 1 46 117 ALA . 17819 1 47 118 ARG . 17819 1 48 119 SER . 17819 1 49 120 LEU . 17819 1 50 121 ALA . 17819 1 51 122 THR . 17819 1 52 123 ARG . 17819 1 53 124 LYS . 17819 1 54 125 GLU . 17819 1 55 126 GLY . 17819 1 56 127 TYR . 17819 1 57 128 ILE . 17819 1 58 129 PRO . 17819 1 59 130 SER . 17819 1 60 131 ASN . 17819 1 61 132 TYR . 17819 1 62 133 VAL . 17819 1 63 134 ALA . 17819 1 64 135 ARG . 17819 1 65 136 VAL . 17819 1 66 137 ASP . 17819 1 67 138 SER . 17819 1 68 139 LEU . 17819 1 69 140 GLU . 17819 1 70 141 THR . 17819 1 71 142 GLU . 17819 1 72 143 GLU . 17819 1 73 144 TRP . 17819 1 74 145 PHE . 17819 1 75 146 PHE . 17819 1 76 147 LYS . 17819 1 77 148 GLY . 17819 1 78 149 ILE . 17819 1 79 150 SER . 17819 1 80 151 ARG . 17819 1 81 152 LYS . 17819 1 82 153 ASP . 17819 1 83 154 ALA . 17819 1 84 155 GLU . 17819 1 85 156 ARG . 17819 1 86 157 GLN . 17819 1 87 158 LEU . 17819 1 88 159 LEU . 17819 1 89 160 ALA . 17819 1 90 161 PRO . 17819 1 91 162 GLY . 17819 1 92 163 ASN . 17819 1 93 164 MET . 17819 1 94 165 LEU . 17819 1 95 166 GLY . 17819 1 96 167 SER . 17819 1 97 168 PHE . 17819 1 98 169 MET . 17819 1 99 170 ILE . 17819 1 100 171 ARG . 17819 1 101 172 ASP . 17819 1 102 173 SER . 17819 1 103 174 GLU . 17819 1 104 175 THR . 17819 1 105 176 THR . 17819 1 106 177 LYS . 17819 1 107 178 GLY . 17819 1 108 179 SER . 17819 1 109 180 TYR . 17819 1 110 181 SER . 17819 1 111 182 LEU . 17819 1 112 183 SER . 17819 1 113 184 VAL . 17819 1 114 185 ARG . 17819 1 115 186 ASP . 17819 1 116 187 TYR . 17819 1 117 188 ASP . 17819 1 118 189 PRO . 17819 1 119 190 ARG . 17819 1 120 191 GLN . 17819 1 121 192 GLY . 17819 1 122 193 ASP . 17819 1 123 194 THR . 17819 1 124 195 VAL . 17819 1 125 196 LYS . 17819 1 126 197 HIS . 17819 1 127 198 TYR . 17819 1 128 199 LYS . 17819 1 129 200 ILE . 17819 1 130 201 ARG . 17819 1 131 202 THR . 17819 1 132 203 LEU . 17819 1 133 204 ASP . 17819 1 134 205 ASN . 17819 1 135 206 GLY . 17819 1 136 207 GLY . 17819 1 137 208 PHE . 17819 1 138 209 TYR . 17819 1 139 210 ILE . 17819 1 140 211 SER . 17819 1 141 212 PRO . 17819 1 142 213 ARG . 17819 1 143 214 SER . 17819 1 144 215 THR . 17819 1 145 216 PHE . 17819 1 146 217 SER . 17819 1 147 218 THR . 17819 1 148 219 LEU . 17819 1 149 220 GLN . 17819 1 150 221 GLU . 17819 1 151 222 LEU . 17819 1 152 223 VAL . 17819 1 153 224 ASP . 17819 1 154 225 HIS . 17819 1 155 226 TYR . 17819 1 156 227 LYS . 17819 1 157 228 LYS . 17819 1 158 229 GLY . 17819 1 159 230 ASN . 17819 1 160 231 ASP . 17819 1 161 232 GLY . 17819 1 162 233 LEU . 17819 1 163 234 CYS . 17819 1 164 235 GLN . 17819 1 165 236 LYS . 17819 1 166 237 LEU . 17819 1 167 238 SER . 17819 1 168 239 VAL . 17819 1 169 240 PRO . 17819 1 170 241 CYS . 17819 1 171 242 MET . 17819 1 172 243 SER . 17819 1 173 244 SER . 17819 1 174 245 LYS . 17819 1 175 246 PRO . 17819 1 176 247 GLN . 17819 1 177 248 LYS . 17819 1 178 249 PRO . 17819 1 179 250 TRP . 17819 1 180 251 GLU . 17819 1 181 252 LYS . 17819 1 182 253 ASP . 17819 1 183 254 ALA . 17819 1 184 255 TRP . 17819 1 185 256 GLU . 17819 1 186 257 LEU . 17819 1 187 258 GLU . 17819 1 188 259 HIS . 17819 1 189 260 HIS . 17819 1 190 261 HIS . 17819 1 191 262 HIS . 17819 1 192 263 HIS . 17819 1 193 264 HIS . 17819 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17819 1 . ILE 2 2 17819 1 . ARG 3 3 17819 1 . GLU 4 4 17819 1 . ALA 5 5 17819 1 . GLY 6 6 17819 1 . SER 7 7 17819 1 . GLU 8 8 17819 1 . ASP 9 9 17819 1 . ILE 10 10 17819 1 . ILE 11 11 17819 1 . VAL 12 12 17819 1 . VAL 13 13 17819 1 . ALA 14 14 17819 1 . LEU 15 15 17819 1 . TYR 16 16 17819 1 . ASP 17 17 17819 1 . TYR 18 18 17819 1 . GLU 19 19 17819 1 . ALA 20 20 17819 1 . ILE 21 21 17819 1 . HIS 22 22 17819 1 . HIS 23 23 17819 1 . GLU 24 24 17819 1 . ASP 25 25 17819 1 . LEU 26 26 17819 1 . SER 27 27 17819 1 . PHE 28 28 17819 1 . GLN 29 29 17819 1 . LYS 30 30 17819 1 . GLY 31 31 17819 1 . ASP 32 32 17819 1 . GLN 33 33 17819 1 . MET 34 34 17819 1 . VAL 35 35 17819 1 . VAL 36 36 17819 1 . LEU 37 37 17819 1 . GLU 38 38 17819 1 . GLU 39 39 17819 1 . SER 40 40 17819 1 . GLY 41 41 17819 1 . GLU 42 42 17819 1 . TRP 43 43 17819 1 . TRP 44 44 17819 1 . LYS 45 45 17819 1 . ALA 46 46 17819 1 . ARG 47 47 17819 1 . SER 48 48 17819 1 . LEU 49 49 17819 1 . ALA 50 50 17819 1 . THR 51 51 17819 1 . ARG 52 52 17819 1 . LYS 53 53 17819 1 . GLU 54 54 17819 1 . GLY 55 55 17819 1 . TYR 56 56 17819 1 . ILE 57 57 17819 1 . PRO 58 58 17819 1 . SER 59 59 17819 1 . ASN 60 60 17819 1 . TYR 61 61 17819 1 . VAL 62 62 17819 1 . ALA 63 63 17819 1 . ARG 64 64 17819 1 . VAL 65 65 17819 1 . ASP 66 66 17819 1 . SER 67 67 17819 1 . LEU 68 68 17819 1 . GLU 69 69 17819 1 . THR 70 70 17819 1 . GLU 71 71 17819 1 . GLU 72 72 17819 1 . TRP 73 73 17819 1 . PHE 74 74 17819 1 . PHE 75 75 17819 1 . LYS 76 76 17819 1 . GLY 77 77 17819 1 . ILE 78 78 17819 1 . SER 79 79 17819 1 . ARG 80 80 17819 1 . LYS 81 81 17819 1 . ASP 82 82 17819 1 . ALA 83 83 17819 1 . GLU 84 84 17819 1 . ARG 85 85 17819 1 . GLN 86 86 17819 1 . LEU 87 87 17819 1 . LEU 88 88 17819 1 . ALA 89 89 17819 1 . PRO 90 90 17819 1 . GLY 91 91 17819 1 . ASN 92 92 17819 1 . MET 93 93 17819 1 . LEU 94 94 17819 1 . GLY 95 95 17819 1 . SER 96 96 17819 1 . PHE 97 97 17819 1 . MET 98 98 17819 1 . ILE 99 99 17819 1 . ARG 100 100 17819 1 . ASP 101 101 17819 1 . SER 102 102 17819 1 . GLU 103 103 17819 1 . THR 104 104 17819 1 . THR 105 105 17819 1 . LYS 106 106 17819 1 . GLY 107 107 17819 1 . SER 108 108 17819 1 . TYR 109 109 17819 1 . SER 110 110 17819 1 . LEU 111 111 17819 1 . SER 112 112 17819 1 . VAL 113 113 17819 1 . ARG 114 114 17819 1 . ASP 115 115 17819 1 . TYR 116 116 17819 1 . ASP 117 117 17819 1 . PRO 118 118 17819 1 . ARG 119 119 17819 1 . GLN 120 120 17819 1 . GLY 121 121 17819 1 . ASP 122 122 17819 1 . THR 123 123 17819 1 . VAL 124 124 17819 1 . LYS 125 125 17819 1 . HIS 126 126 17819 1 . TYR 127 127 17819 1 . LYS 128 128 17819 1 . ILE 129 129 17819 1 . ARG 130 130 17819 1 . THR 131 131 17819 1 . LEU 132 132 17819 1 . ASP 133 133 17819 1 . ASN 134 134 17819 1 . GLY 135 135 17819 1 . GLY 136 136 17819 1 . PHE 137 137 17819 1 . TYR 138 138 17819 1 . ILE 139 139 17819 1 . SER 140 140 17819 1 . PRO 141 141 17819 1 . ARG 142 142 17819 1 . SER 143 143 17819 1 . THR 144 144 17819 1 . PHE 145 145 17819 1 . SER 146 146 17819 1 . THR 147 147 17819 1 . LEU 148 148 17819 1 . GLN 149 149 17819 1 . GLU 150 150 17819 1 . LEU 151 151 17819 1 . VAL 152 152 17819 1 . ASP 153 153 17819 1 . HIS 154 154 17819 1 . TYR 155 155 17819 1 . LYS 156 156 17819 1 . LYS 157 157 17819 1 . GLY 158 158 17819 1 . ASN 159 159 17819 1 . ASP 160 160 17819 1 . GLY 161 161 17819 1 . LEU 162 162 17819 1 . CYS 163 163 17819 1 . GLN 164 164 17819 1 . LYS 165 165 17819 1 . LEU 166 166 17819 1 . SER 167 167 17819 1 . VAL 168 168 17819 1 . PRO 169 169 17819 1 . CYS 170 170 17819 1 . MET 171 171 17819 1 . SER 172 172 17819 1 . SER 173 173 17819 1 . LYS 174 174 17819 1 . PRO 175 175 17819 1 . GLN 176 176 17819 1 . LYS 177 177 17819 1 . PRO 178 178 17819 1 . TRP 179 179 17819 1 . GLU 180 180 17819 1 . LYS 181 181 17819 1 . ASP 182 182 17819 1 . ALA 183 183 17819 1 . TRP 184 184 17819 1 . GLU 185 185 17819 1 . LEU 186 186 17819 1 . GLU 187 187 17819 1 . HIS 188 188 17819 1 . HIS 189 189 17819 1 . HIS 190 190 17819 1 . HIS 191 191 17819 1 . HIS 192 192 17819 1 . HIS 193 193 17819 1 stop_ save_ save_Nef _Entity.Sf_category entity _Entity.Sf_framecode Nef _Entity.Entry_ID 17819 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Nef _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 ; MEGKWSKRSVSGWPAVRERM RRAEPAAEGVGAVSRDLEKH GAITSSNTAATNAACAWLEA QEEEEVGFPVRPQVPLRPMT YKAAVDLSHFLKEKGGLEGL IYSQKRQDILDLWVYHTQGY FPDWQNYTPGPGIRYPLTFG WCFKLVPVEPEKVEEANEGE NNCLLHPMSQHGMDDPEKEV LVWKFDSKLAFHHMARELHP EYYKDCAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Last 11 residues are for histag. The second residue was changed to Glu from Gly to prevent Methionine cleavage.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 217 _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 2015-01-30 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 17922 . Nef . . . . . 100.00 217 100.00 100.00 6.20e-160 . . . . 17819 2 2 no GB AAA03700 . "HIV-1 consensus Nef protein [Human immunodeficiency virus 1]" . . . . . 94.93 206 99.51 99.51 2.08e-150 . . . . 17819 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 . MET . 17819 2 2 . GLU . 17819 2 3 . GLY . 17819 2 4 . LYS . 17819 2 5 . TRP . 17819 2 6 . SER . 17819 2 7 . LYS . 17819 2 8 . ARG . 17819 2 9 . SER . 17819 2 10 . VAL . 17819 2 11 . SER . 17819 2 12 . GLY . 17819 2 13 . TRP . 17819 2 14 . PRO . 17819 2 15 . ALA . 17819 2 16 . VAL . 17819 2 17 . ARG . 17819 2 18 . GLU . 17819 2 19 . ARG . 17819 2 20 . MET . 17819 2 21 . ARG . 17819 2 22 . ARG . 17819 2 23 . ALA . 17819 2 24 . GLU . 17819 2 25 . PRO . 17819 2 26 . ALA . 17819 2 27 . ALA . 17819 2 28 . GLU . 17819 2 29 . GLY . 17819 2 30 . VAL . 17819 2 31 . GLY . 17819 2 32 . ALA . 17819 2 33 . VAL . 17819 2 34 . SER . 17819 2 35 . ARG . 17819 2 36 . ASP . 17819 2 37 . LEU . 17819 2 38 . GLU . 17819 2 39 . LYS . 17819 2 40 . HIS . 17819 2 41 . GLY . 17819 2 42 . ALA . 17819 2 43 . ILE . 17819 2 44 . THR . 17819 2 45 . SER . 17819 2 46 . SER . 17819 2 47 . ASN . 17819 2 48 . THR . 17819 2 49 . ALA . 17819 2 50 . ALA . 17819 2 51 . THR . 17819 2 52 . ASN . 17819 2 53 . ALA . 17819 2 54 . ALA . 17819 2 55 . CYS . 17819 2 56 . ALA . 17819 2 57 . TRP . 17819 2 58 . LEU . 17819 2 59 . GLU . 17819 2 60 . ALA . 17819 2 61 . GLN . 17819 2 62 . GLU . 17819 2 63 . GLU . 17819 2 64 . GLU . 17819 2 65 . GLU . 17819 2 66 . VAL . 17819 2 67 . GLY . 17819 2 68 . PHE . 17819 2 69 . PRO . 17819 2 70 . VAL . 17819 2 71 . ARG . 17819 2 72 . PRO . 17819 2 73 . GLN . 17819 2 74 . VAL . 17819 2 75 . PRO . 17819 2 76 . LEU . 17819 2 77 . ARG . 17819 2 78 . PRO . 17819 2 79 . MET . 17819 2 80 . THR . 17819 2 81 . TYR . 17819 2 82 . LYS . 17819 2 83 . ALA . 17819 2 84 . ALA . 17819 2 85 . VAL . 17819 2 86 . ASP . 17819 2 87 . LEU . 17819 2 88 . SER . 17819 2 89 . HIS . 17819 2 90 . PHE . 17819 2 91 . LEU . 17819 2 92 . LYS . 17819 2 93 . GLU . 17819 2 94 . LYS . 17819 2 95 . GLY . 17819 2 96 . GLY . 17819 2 97 . LEU . 17819 2 98 . GLU . 17819 2 99 . GLY . 17819 2 100 . LEU . 17819 2 101 . ILE . 17819 2 102 . TYR . 17819 2 103 . SER . 17819 2 104 . GLN . 17819 2 105 . LYS . 17819 2 106 . ARG . 17819 2 107 . GLN . 17819 2 108 . ASP . 17819 2 109 . ILE . 17819 2 110 . LEU . 17819 2 111 . ASP . 17819 2 112 . LEU . 17819 2 113 . TRP . 17819 2 114 . VAL . 17819 2 115 . TYR . 17819 2 116 . HIS . 17819 2 117 . THR . 17819 2 118 . GLN . 17819 2 119 . GLY . 17819 2 120 . TYR . 17819 2 121 . PHE . 17819 2 122 . PRO . 17819 2 123 . ASP . 17819 2 124 . TRP . 17819 2 125 . GLN . 17819 2 126 . ASN . 17819 2 127 . TYR . 17819 2 128 . THR . 17819 2 129 . PRO . 17819 2 130 . GLY . 17819 2 131 . PRO . 17819 2 132 . GLY . 17819 2 133 . ILE . 17819 2 134 . ARG . 17819 2 135 . TYR . 17819 2 136 . PRO . 17819 2 137 . LEU . 17819 2 138 . THR . 17819 2 139 . PHE . 17819 2 140 . GLY . 17819 2 141 . TRP . 17819 2 142 . CYS . 17819 2 143 . PHE . 17819 2 144 . LYS . 17819 2 145 . LEU . 17819 2 146 . VAL . 17819 2 147 . PRO . 17819 2 148 . VAL . 17819 2 149 . GLU . 17819 2 150 . PRO . 17819 2 151 . GLU . 17819 2 152 . LYS . 17819 2 153 . VAL . 17819 2 154 . GLU . 17819 2 155 . GLU . 17819 2 156 . ALA . 17819 2 157 . ASN . 17819 2 158 . GLU . 17819 2 159 . GLY . 17819 2 160 . GLU . 17819 2 161 . ASN . 17819 2 162 . ASN . 17819 2 163 . CYS . 17819 2 164 . LEU . 17819 2 165 . LEU . 17819 2 166 . HIS . 17819 2 167 . PRO . 17819 2 168 . MET . 17819 2 169 . SER . 17819 2 170 . GLN . 17819 2 171 . HIS . 17819 2 172 . GLY . 17819 2 173 . MET . 17819 2 174 . ASP . 17819 2 175 . ASP . 17819 2 176 . PRO . 17819 2 177 . GLU . 17819 2 178 . LYS . 17819 2 179 . GLU . 17819 2 180 . VAL . 17819 2 181 . LEU . 17819 2 182 . VAL . 17819 2 183 . TRP . 17819 2 184 . LYS . 17819 2 185 . PHE . 17819 2 186 . ASP . 17819 2 187 . SER . 17819 2 188 . LYS . 17819 2 189 . LEU . 17819 2 190 . ALA . 17819 2 191 . PHE . 17819 2 192 . HIS . 17819 2 193 . HIS . 17819 2 194 . MET . 17819 2 195 . ALA . 17819 2 196 . ARG . 17819 2 197 . GLU . 17819 2 198 . LEU . 17819 2 199 . HIS . 17819 2 200 . PRO . 17819 2 201 . GLU . 17819 2 202 . TYR . 17819 2 203 . TYR . 17819 2 204 . LYS . 17819 2 205 . ASP . 17819 2 206 . CYS . 17819 2 207 . ALA . 17819 2 208 . ALA . 17819 2 209 . ALA . 17819 2 210 . LEU . 17819 2 211 . GLU . 17819 2 212 . HIS . 17819 2 213 . HIS . 17819 2 214 . HIS . 17819 2 215 . HIS . 17819 2 216 . HIS . 17819 2 217 . HIS . 17819 2 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 17819 2 . GLU 2 2 17819 2 . GLY 3 3 17819 2 . LYS 4 4 17819 2 . TRP 5 5 17819 2 . SER 6 6 17819 2 . LYS 7 7 17819 2 . ARG 8 8 17819 2 . SER 9 9 17819 2 . VAL 10 10 17819 2 . SER 11 11 17819 2 . GLY 12 12 17819 2 . TRP 13 13 17819 2 . PRO 14 14 17819 2 . ALA 15 15 17819 2 . VAL 16 16 17819 2 . ARG 17 17 17819 2 . GLU 18 18 17819 2 . ARG 19 19 17819 2 . MET 20 20 17819 2 . ARG 21 21 17819 2 . ARG 22 22 17819 2 . ALA 23 23 17819 2 . GLU 24 24 17819 2 . PRO 25 25 17819 2 . ALA 26 26 17819 2 . ALA 27 27 17819 2 . GLU 28 28 17819 2 . GLY 29 29 17819 2 . VAL 30 30 17819 2 . GLY 31 31 17819 2 . ALA 32 32 17819 2 . VAL 33 33 17819 2 . SER 34 34 17819 2 . ARG 35 35 17819 2 . ASP 36 36 17819 2 . LEU 37 37 17819 2 . GLU 38 38 17819 2 . LYS 39 39 17819 2 . HIS 40 40 17819 2 . GLY 41 41 17819 2 . ALA 42 42 17819 2 . ILE 43 43 17819 2 . THR 44 44 17819 2 . SER 45 45 17819 2 . SER 46 46 17819 2 . ASN 47 47 17819 2 . THR 48 48 17819 2 . ALA 49 49 17819 2 . ALA 50 50 17819 2 . THR 51 51 17819 2 . ASN 52 52 17819 2 . ALA 53 53 17819 2 . ALA 54 54 17819 2 . CYS 55 55 17819 2 . ALA 56 56 17819 2 . TRP 57 57 17819 2 . LEU 58 58 17819 2 . GLU 59 59 17819 2 . ALA 60 60 17819 2 . GLN 61 61 17819 2 . GLU 62 62 17819 2 . GLU 63 63 17819 2 . GLU 64 64 17819 2 . GLU 65 65 17819 2 . VAL 66 66 17819 2 . GLY 67 67 17819 2 . PHE 68 68 17819 2 . PRO 69 69 17819 2 . VAL 70 70 17819 2 . ARG 71 71 17819 2 . PRO 72 72 17819 2 . GLN 73 73 17819 2 . VAL 74 74 17819 2 . PRO 75 75 17819 2 . LEU 76 76 17819 2 . ARG 77 77 17819 2 . PRO 78 78 17819 2 . MET 79 79 17819 2 . THR 80 80 17819 2 . TYR 81 81 17819 2 . LYS 82 82 17819 2 . ALA 83 83 17819 2 . ALA 84 84 17819 2 . VAL 85 85 17819 2 . ASP 86 86 17819 2 . LEU 87 87 17819 2 . SER 88 88 17819 2 . HIS 89 89 17819 2 . PHE 90 90 17819 2 . LEU 91 91 17819 2 . LYS 92 92 17819 2 . GLU 93 93 17819 2 . LYS 94 94 17819 2 . GLY 95 95 17819 2 . GLY 96 96 17819 2 . LEU 97 97 17819 2 . GLU 98 98 17819 2 . GLY 99 99 17819 2 . LEU 100 100 17819 2 . ILE 101 101 17819 2 . TYR 102 102 17819 2 . SER 103 103 17819 2 . GLN 104 104 17819 2 . LYS 105 105 17819 2 . ARG 106 106 17819 2 . GLN 107 107 17819 2 . ASP 108 108 17819 2 . ILE 109 109 17819 2 . LEU 110 110 17819 2 . ASP 111 111 17819 2 . LEU 112 112 17819 2 . TRP 113 113 17819 2 . VAL 114 114 17819 2 . TYR 115 115 17819 2 . HIS 116 116 17819 2 . THR 117 117 17819 2 . GLN 118 118 17819 2 . GLY 119 119 17819 2 . TYR 120 120 17819 2 . PHE 121 121 17819 2 . PRO 122 122 17819 2 . ASP 123 123 17819 2 . TRP 124 124 17819 2 . GLN 125 125 17819 2 . ASN 126 126 17819 2 . TYR 127 127 17819 2 . THR 128 128 17819 2 . PRO 129 129 17819 2 . GLY 130 130 17819 2 . PRO 131 131 17819 2 . GLY 132 132 17819 2 . ILE 133 133 17819 2 . ARG 134 134 17819 2 . TYR 135 135 17819 2 . PRO 136 136 17819 2 . LEU 137 137 17819 2 . THR 138 138 17819 2 . PHE 139 139 17819 2 . GLY 140 140 17819 2 . TRP 141 141 17819 2 . CYS 142 142 17819 2 . PHE 143 143 17819 2 . LYS 144 144 17819 2 . LEU 145 145 17819 2 . VAL 146 146 17819 2 . PRO 147 147 17819 2 . VAL 148 148 17819 2 . GLU 149 149 17819 2 . PRO 150 150 17819 2 . GLU 151 151 17819 2 . LYS 152 152 17819 2 . VAL 153 153 17819 2 . GLU 154 154 17819 2 . GLU 155 155 17819 2 . ALA 156 156 17819 2 . ASN 157 157 17819 2 . GLU 158 158 17819 2 . GLY 159 159 17819 2 . GLU 160 160 17819 2 . ASN 161 161 17819 2 . ASN 162 162 17819 2 . CYS 163 163 17819 2 . LEU 164 164 17819 2 . LEU 165 165 17819 2 . HIS 166 166 17819 2 . PRO 167 167 17819 2 . MET 168 168 17819 2 . SER 169 169 17819 2 . GLN 170 170 17819 2 . HIS 171 171 17819 2 . GLY 172 172 17819 2 . MET 173 173 17819 2 . ASP 174 174 17819 2 . ASP 175 175 17819 2 . PRO 176 176 17819 2 . GLU 177 177 17819 2 . LYS 178 178 17819 2 . GLU 179 179 17819 2 . VAL 180 180 17819 2 . LEU 181 181 17819 2 . VAL 182 182 17819 2 . TRP 183 183 17819 2 . LYS 184 184 17819 2 . PHE 185 185 17819 2 . ASP 186 186 17819 2 . SER 187 187 17819 2 . LYS 188 188 17819 2 . LEU 189 189 17819 2 . ALA 190 190 17819 2 . PHE 191 191 17819 2 . HIS 192 192 17819 2 . HIS 193 193 17819 2 . MET 194 194 17819 2 . ALA 195 195 17819 2 . ARG 196 196 17819 2 . GLU 197 197 17819 2 . LEU 198 198 17819 2 . HIS 199 199 17819 2 . PRO 200 200 17819 2 . GLU 201 201 17819 2 . TYR 202 202 17819 2 . TYR 203 203 17819 2 . LYS 204 204 17819 2 . ASP 205 205 17819 2 . CYS 206 206 17819 2 . ALA 207 207 17819 2 . ALA 208 208 17819 2 . ALA 209 209 17819 2 . LEU 210 210 17819 2 . GLU 211 211 17819 2 . HIS 212 212 17819 2 . HIS 213 213 17819 2 . HIS 214 214 17819 2 . HIS 215 215 17819 2 . HIS 216 216 17819 2 . HIS 217 217 17819 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 17819 _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 $Hck32L . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17819 1 2 2 $Nef . 11676 virus . HIV-1 HIV-1 . 00.061.1.06.009 Viruses . Lentivirus . . . . . . . . . . . . . . . . . . . . . . 17819 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 17819 _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 $Hck32L . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 Rosetta2(DE3) . . . . . . . . . . . . . . pET21 . . . . . . 17819 1 2 2 $Nef . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 Rosetta2(DE3) . . . . . . . . . . . . . . pET21 . . . . . . 17819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17819 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Hck32L '[U-13C; U-15N; U-2H]' . . 1 $Hck32L . . 0.5 . . mM . . . . 17819 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17819 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17819 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17819 1 5 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17819 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17819 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 17819 1 8 Nef 'natural abundance' . . 2 $Nef . . 0.6 . . mM . . . . 17819 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 17819 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17819 1 pH 8.0 . pH 17819 1 pressure 1 . atm 17819 1 temperature 300 . K 17819 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17819 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17819 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17819 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17819 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17819 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17819 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17819 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details ; CARA is the application for the analysis of NMR spectra and computer aided resonance assignment developed at and used by the group of Prof. Dr. Kurt W thrich, Institute of Molecular Biology and Biophysics, ETH Z rich. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . http://www.nmr.ch 17819 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17819 3 'data analysis' 17819 3 'peak picking' 17819 3 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 17819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17819 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17819 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 17819 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17819 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17819 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17819 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 17819 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17819 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17819 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17819 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 17819 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 'Digital resolution of spectra' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17819 1 2 '3D HNCACB' . . . 17819 1 3 '3D HNCA' . . . 17819 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 17819 1 'TROSY offset' 'amide protons' . 0.066 0.0027 17819 1 'TROSY offset' 'amide nitrogens' . -0.65 0.0262 17819 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 3 3 ARG H H 1 8.39 0.02 . 1 . . . . 74 ARG H . 17819 1 2 . 1 1 3 3 ARG CA C 13 55.8 0.3 . 1 . . . . 74 ARG CA . 17819 1 3 . 1 1 3 3 ARG CB C 13 29.5 0.3 . 1 . . . . 74 ARG CB . 17819 1 4 . 1 1 3 3 ARG N N 15 124.6 0.3 . 1 . . . . 74 ARG N . 17819 1 5 . 1 1 4 4 GLU H H 1 8.42 0.02 . 1 . . . . 75 GLU H . 17819 1 6 . 1 1 4 4 GLU CA C 13 55.7 0.3 . 1 . . . . 75 GLU CA . 17819 1 7 . 1 1 4 4 GLU CB C 13 29.2 0.3 . 1 . . . . 75 GLU CB . 17819 1 8 . 1 1 4 4 GLU N N 15 122.9 0.3 . 1 . . . . 75 GLU N . 17819 1 9 . 1 1 5 5 ALA H H 1 8.35 0.02 . 1 . . . . 76 ALA H . 17819 1 10 . 1 1 5 5 ALA CA C 13 52.4 0.3 . 1 . . . . 76 ALA CA . 17819 1 11 . 1 1 5 5 ALA CB C 13 17.9 0.3 . 1 . . . . 76 ALA CB . 17819 1 12 . 1 1 5 5 ALA N N 15 125.8 0.3 . 1 . . . . 76 ALA N . 17819 1 13 . 1 1 7 7 SER H H 1 8.01 0.02 . 1 . . . . 78 SER H . 17819 1 14 . 1 1 7 7 SER CA C 13 57.9 0.3 . 1 . . . . 78 SER CA . 17819 1 15 . 1 1 7 7 SER CB C 13 63.0 0.3 . 1 . . . . 78 SER CB . 17819 1 16 . 1 1 7 7 SER N N 15 115.8 0.3 . 1 . . . . 78 SER N . 17819 1 17 . 1 1 8 8 GLU H H 1 8.45 0.02 . 1 . . . . 79 GLU H . 17819 1 18 . 1 1 8 8 GLU CA C 13 55.6 0.3 . 1 . . . . 79 GLU CA . 17819 1 19 . 1 1 8 8 GLU CB C 13 29.0 0.3 . 1 . . . . 79 GLU CB . 17819 1 20 . 1 1 8 8 GLU N N 15 122.7 0.3 . 1 . . . . 79 GLU N . 17819 1 21 . 1 1 9 9 ASP H H 1 8.12 0.02 . 1 . . . . 80 ASP H . 17819 1 22 . 1 1 9 9 ASP CA C 13 54.2 0.3 . 1 . . . . 80 ASP CA . 17819 1 23 . 1 1 9 9 ASP CB C 13 40.8 0.3 . 1 . . . . 80 ASP CB . 17819 1 24 . 1 1 9 9 ASP N N 15 121.4 0.3 . 1 . . . . 80 ASP N . 17819 1 25 . 1 1 10 10 ILE H H 1 8.76 0.02 . 1 . . . . 81 ILE H . 17819 1 26 . 1 1 10 10 ILE CA C 13 60.4 0.3 . 1 . . . . 81 ILE CA . 17819 1 27 . 1 1 10 10 ILE CB C 13 36.7 0.3 . 1 . . . . 81 ILE CB . 17819 1 28 . 1 1 10 10 ILE N N 15 124.2 0.3 . 1 . . . . 81 ILE N . 17819 1 29 . 1 1 11 11 ILE H H 1 8.10 0.02 . 1 . . . . 82 ILE H . 17819 1 30 . 1 1 11 11 ILE CA C 13 58.5 0.3 . 1 . . . . 82 ILE CA . 17819 1 31 . 1 1 11 11 ILE CB C 13 36.8 0.3 . 1 . . . . 82 ILE CB . 17819 1 32 . 1 1 11 11 ILE N N 15 127.8 0.3 . 1 . . . . 82 ILE N . 17819 1 33 . 1 1 13 13 VAL H H 1 9.10 0.02 . 1 . . . . 84 VAL H . 17819 1 34 . 1 1 13 13 VAL CA C 13 57.4 0.3 . 1 . . . . 84 VAL CA . 17819 1 35 . 1 1 13 13 VAL CB C 13 34.0 0.3 . 1 . . . . 84 VAL CB . 17819 1 36 . 1 1 13 13 VAL N N 15 118.9 0.3 . 1 . . . . 84 VAL N . 17819 1 37 . 1 1 14 14 ALA H H 1 8.39 0.02 . 1 . . . . 85 ALA H . 17819 1 38 . 1 1 14 14 ALA CA C 13 51.9 0.3 . 1 . . . . 85 ALA CA . 17819 1 39 . 1 1 14 14 ALA CB C 13 20.5 0.3 . 1 . . . . 85 ALA CB . 17819 1 40 . 1 1 14 14 ALA N N 15 126.8 0.3 . 1 . . . . 85 ALA N . 17819 1 41 . 1 1 15 15 LEU H H 1 9.40 0.02 . 1 . . . . 86 LEU H . 17819 1 42 . 1 1 15 15 LEU CA C 13 55.0 0.3 . 1 . . . . 86 LEU CA . 17819 1 43 . 1 1 15 15 LEU N N 15 125.9 0.3 . 1 . . . . 86 LEU N . 17819 1 44 . 1 1 16 16 TYR H H 1 7.17 0.02 . 1 . . . . 87 TYR H . 17819 1 45 . 1 1 16 16 TYR CA C 13 53.8 0.3 . 1 . . . . 87 TYR CA . 17819 1 46 . 1 1 16 16 TYR N N 15 113.0 0.3 . 1 . . . . 87 TYR N . 17819 1 47 . 1 1 17 17 ASP H H 1 8.13 0.02 . 1 . . . . 88 ASP H . 17819 1 48 . 1 1 17 17 ASP CA C 13 53.6 0.3 . 1 . . . . 88 ASP CA . 17819 1 49 . 1 1 17 17 ASP CB C 13 42.2 0.3 . 1 . . . . 88 ASP CB . 17819 1 50 . 1 1 17 17 ASP N N 15 117.6 0.3 . 1 . . . . 88 ASP N . 17819 1 51 . 1 1 18 18 TYR H H 1 8.39 0.02 . 1 . . . . 89 TYR H . 17819 1 52 . 1 1 18 18 TYR CA C 13 58.1 0.3 . 1 . . . . 89 TYR CA . 17819 1 53 . 1 1 18 18 TYR N N 15 119.9 0.3 . 1 . . . . 89 TYR N . 17819 1 54 . 1 1 19 19 GLU H H 1 7.50 0.02 . 1 . . . . 90 GLU H . 17819 1 55 . 1 1 19 19 GLU CA C 13 53.4 0.3 . 1 . . . . 90 GLU CA . 17819 1 56 . 1 1 19 19 GLU N N 15 129.2 0.3 . 1 . . . . 90 GLU N . 17819 1 57 . 1 1 20 20 ALA H H 1 8.34 0.02 . 1 . . . . 91 ALA H . 17819 1 58 . 1 1 20 20 ALA CA C 13 52.5 0.3 . 1 . . . . 91 ALA CA . 17819 1 59 . 1 1 20 20 ALA CB C 13 17.9 0.3 . 1 . . . . 91 ALA CB . 17819 1 60 . 1 1 20 20 ALA N N 15 125.8 0.3 . 1 . . . . 91 ALA N . 17819 1 61 . 1 1 26 26 LEU H H 1 8.96 0.02 . 1 . . . . 97 LEU H . 17819 1 62 . 1 1 26 26 LEU CA C 13 53.3 0.3 . 1 . . . . 97 LEU CA . 17819 1 63 . 1 1 26 26 LEU CB C 13 43.7 0.3 . 1 . . . . 97 LEU CB . 17819 1 64 . 1 1 26 26 LEU N N 15 124.9 0.3 . 1 . . . . 97 LEU N . 17819 1 65 . 1 1 27 27 SER H H 1 7.84 0.02 . 1 . . . . 98 SER H . 17819 1 66 . 1 1 27 27 SER CA C 13 58.1 0.3 . 1 . . . . 98 SER CA . 17819 1 67 . 1 1 27 27 SER CB C 13 63.7 0.3 . 1 . . . . 98 SER CB . 17819 1 68 . 1 1 27 27 SER N N 15 118.5 0.3 . 1 . . . . 98 SER N . 17819 1 69 . 1 1 28 28 PHE H H 1 8.71 0.02 . 1 . . . . 99 PHE H . 17819 1 70 . 1 1 28 28 PHE CA C 13 56.0 0.3 . 1 . . . . 99 PHE CA . 17819 1 71 . 1 1 28 28 PHE CB C 13 39.4 0.3 . 1 . . . . 99 PHE CB . 17819 1 72 . 1 1 28 28 PHE N N 15 117.2 0.3 . 1 . . . . 99 PHE N . 17819 1 73 . 1 1 29 29 GLN H H 1 8.92 0.02 . 1 . . . . 100 GLN H . 17819 1 74 . 1 1 29 29 GLN CA C 13 52.8 0.3 . 1 . . . . 100 GLN CA . 17819 1 75 . 1 1 29 29 GLN CB C 13 31.8 0.3 . 1 . . . . 100 GLN CB . 17819 1 76 . 1 1 29 29 GLN N N 15 120.1 0.3 . 1 . . . . 100 GLN N . 17819 1 77 . 1 1 31 31 GLY CA C 13 44.4 0.3 . 1 . . . . 102 GLY CA . 17819 1 78 . 1 1 32 32 ASP H H 1 8.60 0.02 . 1 . . . . 103 ASP H . 17819 1 79 . 1 1 32 32 ASP CA C 13 55.1 0.3 . 1 . . . . 103 ASP CA . 17819 1 80 . 1 1 32 32 ASP N N 15 123.3 0.3 . 1 . . . . 103 ASP N . 17819 1 81 . 1 1 33 33 GLN H H 1 8.40 0.02 . 1 . . . . 104 GLN H . 17819 1 82 . 1 1 33 33 GLN CA C 13 54.0 0.3 . 1 . . . . 104 GLN CA . 17819 1 83 . 1 1 33 33 GLN CB C 13 29.8 0.3 . 1 . . . . 104 GLN CB . 17819 1 84 . 1 1 33 33 GLN N N 15 118.8 0.3 . 1 . . . . 104 GLN N . 17819 1 85 . 1 1 34 34 MET H H 1 9.12 0.02 . 1 . . . . 105 MET H . 17819 1 86 . 1 1 34 34 MET CA C 13 53.7 0.3 . 1 . . . . 105 MET CA . 17819 1 87 . 1 1 34 34 MET N N 15 121.4 0.3 . 1 . . . . 105 MET N . 17819 1 88 . 1 1 35 35 VAL H H 1 8.85 0.02 . 1 . . . . 106 VAL H . 17819 1 89 . 1 1 35 35 VAL CA C 13 59.1 0.3 . 1 . . . . 106 VAL CA . 17819 1 90 . 1 1 35 35 VAL N N 15 120.0 0.3 . 1 . . . . 106 VAL N . 17819 1 91 . 1 1 36 36 VAL H H 1 8.71 0.02 . 1 . . . . 107 VAL H . 17819 1 92 . 1 1 36 36 VAL CA C 13 63.5 0.3 . 1 . . . . 107 VAL CA . 17819 1 93 . 1 1 36 36 VAL CB C 13 30.4 0.3 . 1 . . . . 107 VAL CB . 17819 1 94 . 1 1 36 36 VAL N N 15 127.2 0.3 . 1 . . . . 107 VAL N . 17819 1 95 . 1 1 37 37 LEU H H 1 9.13 0.02 . 1 . . . . 108 LEU H . 17819 1 96 . 1 1 37 37 LEU N N 15 128.9 0.3 . 1 . . . . 108 LEU N . 17819 1 97 . 1 1 38 38 GLU H H 1 7.53 0.02 . 1 . . . . 109 GLU H . 17819 1 98 . 1 1 38 38 GLU CA C 13 56.0 0.3 . 1 . . . . 109 GLU CA . 17819 1 99 . 1 1 38 38 GLU N N 15 117.9 0.3 . 1 . . . . 109 GLU N . 17819 1 100 . 1 1 39 39 GLU H H 1 8.60 0.02 . 1 . . . . 110 GLU H . 17819 1 101 . 1 1 39 39 GLU CA C 13 53.6 0.3 . 1 . . . . 110 GLU CA . 17819 1 102 . 1 1 39 39 GLU N N 15 126.4 0.3 . 1 . . . . 110 GLU N . 17819 1 103 . 1 1 40 40 SER H H 1 7.94 0.02 . 1 . . . . 111 SER H . 17819 1 104 . 1 1 40 40 SER CA C 13 56.9 0.3 . 1 . . . . 111 SER CA . 17819 1 105 . 1 1 40 40 SER CB C 13 62.5 0.3 . 1 . . . . 111 SER CB . 17819 1 106 . 1 1 40 40 SER N N 15 117.8 0.3 . 1 . . . . 111 SER N . 17819 1 107 . 1 1 41 41 GLY H H 1 8.44 0.02 . 1 . . . . 112 GLY H . 17819 1 108 . 1 1 41 41 GLY CA C 13 44.7 0.3 . 1 . . . . 112 GLY CA . 17819 1 109 . 1 1 41 41 GLY N N 15 112.5 0.3 . 1 . . . . 112 GLY N . 17819 1 110 . 1 1 45 45 LYS H H 1 8.71 0.02 . 1 . . . . 116 LYS H . 17819 1 111 . 1 1 45 45 LYS CA C 13 55.5 0.3 . 1 . . . . 116 LYS CA . 17819 1 112 . 1 1 45 45 LYS CB C 13 32.5 0.3 . 1 . . . . 116 LYS CB . 17819 1 113 . 1 1 45 45 LYS N N 15 122.8 0.3 . 1 . . . . 116 LYS N . 17819 1 114 . 1 1 46 46 ALA H H 1 9.27 0.02 . 1 . . . . 117 ALA H . 17819 1 115 . 1 1 46 46 ALA CA C 13 50.1 0.3 . 1 . . . . 117 ALA CA . 17819 1 116 . 1 1 46 46 ALA N N 15 130.9 0.3 . 1 . . . . 117 ALA N . 17819 1 117 . 1 1 47 47 ARG H H 1 8.83 0.02 . 1 . . . . 118 ARG H . 17819 1 118 . 1 1 47 47 ARG CA C 13 52.9 0.3 . 1 . . . . 118 ARG CA . 17819 1 119 . 1 1 47 47 ARG N N 15 118.0 0.3 . 1 . . . . 118 ARG N . 17819 1 120 . 1 1 48 48 SER H H 1 8.97 0.02 . 1 . . . . 119 SER H . 17819 1 121 . 1 1 48 48 SER CA C 13 57.5 0.3 . 1 . . . . 119 SER CA . 17819 1 122 . 1 1 48 48 SER CB C 13 62.6 0.3 . 1 . . . . 119 SER CB . 17819 1 123 . 1 1 48 48 SER N N 15 119.8 0.3 . 1 . . . . 119 SER N . 17819 1 124 . 1 1 49 49 LEU H H 1 8.76 0.02 . 1 . . . . 120 LEU H . 17819 1 125 . 1 1 49 49 LEU CA C 13 56.5 0.3 . 1 . . . . 120 LEU CA . 17819 1 126 . 1 1 49 49 LEU N N 15 130.9 0.3 . 1 . . . . 120 LEU N . 17819 1 127 . 1 1 53 53 LYS H H 1 7.51 0.02 . 1 . . . . 124 LYS H . 17819 1 128 . 1 1 53 53 LYS CA C 13 55.9 0.3 . 1 . . . . 124 LYS CA . 17819 1 129 . 1 1 53 53 LYS N N 15 120.2 0.3 . 1 . . . . 124 LYS N . 17819 1 130 . 1 1 54 54 GLU H H 1 8.41 0.02 . 1 . . . . 125 GLU H . 17819 1 131 . 1 1 54 54 GLU CA C 13 53.3 0.3 . 1 . . . . 125 GLU CA . 17819 1 132 . 1 1 54 54 GLU CB C 13 32.3 0.3 . 1 . . . . 125 GLU CB . 17819 1 133 . 1 1 54 54 GLU N N 15 118.8 0.3 . 1 . . . . 125 GLU N . 17819 1 134 . 1 1 55 55 GLY H H 1 8.76 0.02 . 1 . . . . 126 GLY H . 17819 1 135 . 1 1 55 55 GLY CA C 13 44.8 0.3 . 1 . . . . 126 GLY CA . 17819 1 136 . 1 1 55 55 GLY N N 15 107.8 0.3 . 1 . . . . 126 GLY N . 17819 1 137 . 1 1 56 56 TYR H H 1 9.22 0.02 . 1 . . . . 127 TYR H . 17819 1 138 . 1 1 56 56 TYR CA C 13 59.0 0.3 . 1 . . . . 127 TYR CA . 17819 1 139 . 1 1 56 56 TYR CB C 13 38.7 0.3 . 1 . . . . 127 TYR CB . 17819 1 140 . 1 1 56 56 TYR N N 15 120.1 0.3 . 1 . . . . 127 TYR N . 17819 1 141 . 1 1 57 57 ILE H H 1 9.41 0.02 . 1 . . . . 128 ILE H . 17819 1 142 . 1 1 57 57 ILE CA C 13 56.5 0.3 . 1 . . . . 128 ILE CA . 17819 1 143 . 1 1 57 57 ILE N N 15 111.4 0.3 . 1 . . . . 128 ILE N . 17819 1 144 . 1 1 62 62 VAL H H 1 7.00 0.02 . 1 . . . . 133 VAL H . 17819 1 145 . 1 1 62 62 VAL CA C 13 58.0 0.3 . 1 . . . . 133 VAL CA . 17819 1 146 . 1 1 62 62 VAL N N 15 109.5 0.3 . 1 . . . . 133 VAL N . 17819 1 147 . 1 1 63 63 ALA H H 1 8.43 0.02 . 1 . . . . 134 ALA H . 17819 1 148 . 1 1 63 63 ALA CA C 13 49.7 0.3 . 1 . . . . 134 ALA CA . 17819 1 149 . 1 1 63 63 ALA N N 15 121.0 0.3 . 1 . . . . 134 ALA N . 17819 1 150 . 1 1 64 64 ARG H H 1 8.77 0.02 . 1 . . . . 135 ARG H . 17819 1 151 . 1 1 64 64 ARG CA C 13 56.5 0.3 . 1 . . . . 135 ARG CA . 17819 1 152 . 1 1 64 64 ARG CB C 13 29.3 0.3 . 1 . . . . 135 ARG CB . 17819 1 153 . 1 1 64 64 ARG N N 15 121.2 0.3 . 1 . . . . 135 ARG N . 17819 1 154 . 1 1 65 65 VAL H H 1 8.18 0.02 . 1 . . . . 136 VAL H . 17819 1 155 . 1 1 65 65 VAL CA C 13 62.3 0.3 . 1 . . . . 136 VAL CA . 17819 1 156 . 1 1 65 65 VAL N N 15 122.8 0.3 . 1 . . . . 136 VAL N . 17819 1 157 . 1 1 66 66 ASP H H 1 8.47 0.02 . 1 . . . . 137 ASP H . 17819 1 158 . 1 1 66 66 ASP CA C 13 53.8 0.3 . 1 . . . . 137 ASP CA . 17819 1 159 . 1 1 66 66 ASP CB C 13 40.2 0.3 . 1 . . . . 137 ASP CB . 17819 1 160 . 1 1 66 66 ASP N N 15 123.1 0.3 . 1 . . . . 137 ASP N . 17819 1 161 . 1 1 69 69 GLU H H 1 7.96 0.02 . 1 . . . . 140 GLU H . 17819 1 162 . 1 1 69 69 GLU CA C 13 57.6 0.3 . 1 . . . . 140 GLU CA . 17819 1 163 . 1 1 69 69 GLU CB C 13 28.2 0.3 . 1 . . . . 140 GLU CB . 17819 1 164 . 1 1 69 69 GLU N N 15 114.8 0.3 . 1 . . . . 140 GLU N . 17819 1 165 . 1 1 70 70 THR H H 1 7.45 0.02 . 1 . . . . 141 THR H . 17819 1 166 . 1 1 70 70 THR CA C 13 61.1 0.3 . 1 . . . . 141 THR CA . 17819 1 167 . 1 1 70 70 THR CB C 13 68.5 0.3 . 1 . . . . 141 THR CB . 17819 1 168 . 1 1 70 70 THR N N 15 108.8 0.3 . 1 . . . . 141 THR N . 17819 1 169 . 1 1 71 71 GLU H H 1 7.56 0.02 . 1 . . . . 142 GLU H . 17819 1 170 . 1 1 71 71 GLU CA C 13 55.0 0.3 . 1 . . . . 142 GLU CA . 17819 1 171 . 1 1 71 71 GLU CB C 13 26.9 0.3 . 1 . . . . 142 GLU CB . 17819 1 172 . 1 1 71 71 GLU N N 15 122.6 0.3 . 1 . . . . 142 GLU N . 17819 1 173 . 1 1 72 72 GLU H H 1 8.92 0.02 . 1 . . . . 143 GLU H . 17819 1 174 . 1 1 72 72 GLU CA C 13 57.9 0.3 . 1 . . . . 143 GLU CA . 17819 1 175 . 1 1 72 72 GLU N N 15 122.4 0.3 . 1 . . . . 143 GLU N . 17819 1 176 . 1 1 73 73 TRP H H 1 6.17 0.02 . 1 . . . . 144 TRP H . 17819 1 177 . 1 1 73 73 TRP CA C 13 52.8 0.3 . 1 . . . . 144 TRP CA . 17819 1 178 . 1 1 73 73 TRP CB C 13 30.4 0.3 . 1 . . . . 144 TRP CB . 17819 1 179 . 1 1 73 73 TRP N N 15 109.0 0.3 . 1 . . . . 144 TRP N . 17819 1 180 . 1 1 74 74 PHE H H 1 7.38 0.02 . 1 . . . . 145 PHE H . 17819 1 181 . 1 1 74 74 PHE CA C 13 57.1 0.3 . 1 . . . . 145 PHE CA . 17819 1 182 . 1 1 74 74 PHE CB C 13 38.9 0.3 . 1 . . . . 145 PHE CB . 17819 1 183 . 1 1 74 74 PHE N N 15 123.8 0.3 . 1 . . . . 145 PHE N . 17819 1 184 . 1 1 75 75 PHE H H 1 8.58 0.02 . 1 . . . . 146 PHE H . 17819 1 185 . 1 1 75 75 PHE CA C 13 55.5 0.3 . 1 . . . . 146 PHE CA . 17819 1 186 . 1 1 75 75 PHE CB C 13 39.0 0.3 . 1 . . . . 146 PHE CB . 17819 1 187 . 1 1 75 75 PHE N N 15 131.3 0.3 . 1 . . . . 146 PHE N . 17819 1 188 . 1 1 76 76 LYS H H 1 7.94 0.02 . 1 . . . . 147 LYS H . 17819 1 189 . 1 1 76 76 LYS CA C 13 55.6 0.3 . 1 . . . . 147 LYS CA . 17819 1 190 . 1 1 76 76 LYS CB C 13 32.3 0.3 . 1 . . . . 147 LYS CB . 17819 1 191 . 1 1 76 76 LYS N N 15 123.0 0.3 . 1 . . . . 147 LYS N . 17819 1 192 . 1 1 77 77 GLY H H 1 9.31 0.02 . 1 . . . . 148 GLY H . 17819 1 193 . 1 1 77 77 GLY CA C 13 46.2 0.3 . 1 . . . . 148 GLY CA . 17819 1 194 . 1 1 77 77 GLY N N 15 114.6 0.3 . 1 . . . . 148 GLY N . 17819 1 195 . 1 1 78 78 ILE H H 1 7.15 0.02 . 1 . . . . 149 ILE H . 17819 1 196 . 1 1 78 78 ILE CA C 13 58.9 0.3 . 1 . . . . 149 ILE CA . 17819 1 197 . 1 1 78 78 ILE CB C 13 38.3 0.3 . 1 . . . . 149 ILE CB . 17819 1 198 . 1 1 78 78 ILE N N 15 118.1 0.3 . 1 . . . . 149 ILE N . 17819 1 199 . 1 1 79 79 SER H H 1 8.90 0.02 . 1 . . . . 150 SER H . 17819 1 200 . 1 1 79 79 SER CA C 13 56.5 0.3 . 1 . . . . 150 SER CA . 17819 1 201 . 1 1 79 79 SER CB C 13 65.0 0.3 . 1 . . . . 150 SER CB . 17819 1 202 . 1 1 79 79 SER N N 15 123.1 0.3 . 1 . . . . 150 SER N . 17819 1 203 . 1 1 80 80 ARG H H 1 8.75 0.02 . 1 . . . . 151 ARG H . 17819 1 204 . 1 1 80 80 ARG CA C 13 59.8 0.3 . 1 . . . . 151 ARG CA . 17819 1 205 . 1 1 80 80 ARG CB C 13 28.9 0.3 . 1 . . . . 151 ARG CB . 17819 1 206 . 1 1 80 80 ARG N N 15 122.7 0.3 . 1 . . . . 151 ARG N . 17819 1 207 . 1 1 81 81 LYS H H 1 8.22 0.02 . 1 . . . . 152 LYS H . 17819 1 208 . 1 1 81 81 LYS CA C 13 58.5 0.3 . 1 . . . . 152 LYS CA . 17819 1 209 . 1 1 81 81 LYS CB C 13 30.7 0.3 . 1 . . . . 152 LYS CB . 17819 1 210 . 1 1 81 81 LYS N N 15 117.2 0.3 . 1 . . . . 152 LYS N . 17819 1 211 . 1 1 82 82 ASP CA C 13 56.7 0.3 . 1 . . . . 153 ASP CA . 17819 1 212 . 1 1 83 83 ALA H H 1 8.48 0.02 . 1 . . . . 154 ALA H . 17819 1 213 . 1 1 83 83 ALA CA C 13 54.7 0.3 . 1 . . . . 154 ALA CA . 17819 1 214 . 1 1 83 83 ALA CB C 13 17.8 0.3 . 1 . . . . 154 ALA CB . 17819 1 215 . 1 1 83 83 ALA N N 15 124.0 0.3 . 1 . . . . 154 ALA N . 17819 1 216 . 1 1 84 84 GLU H H 1 7.73 0.02 . 1 . . . . 155 GLU H . 17819 1 217 . 1 1 84 84 GLU CA C 13 59.3 0.3 . 1 . . . . 155 GLU CA . 17819 1 218 . 1 1 84 84 GLU CB C 13 27.4 0.3 . 1 . . . . 155 GLU CB . 17819 1 219 . 1 1 84 84 GLU N N 15 115.1 0.3 . 1 . . . . 155 GLU N . 17819 1 220 . 1 1 85 85 ARG H H 1 7.58 0.02 . 1 . . . . 156 ARG H . 17819 1 221 . 1 1 85 85 ARG CA C 13 58.7 0.3 . 1 . . . . 156 ARG CA . 17819 1 222 . 1 1 85 85 ARG CB C 13 28.7 0.3 . 1 . . . . 156 ARG CB . 17819 1 223 . 1 1 85 85 ARG N N 15 117.1 0.3 . 1 . . . . 156 ARG N . 17819 1 224 . 1 1 86 86 GLN H H 1 8.26 0.02 . 1 . . . . 157 GLN H . 17819 1 225 . 1 1 86 86 GLN CA C 13 58.6 0.3 . 1 . . . . 157 GLN CA . 17819 1 226 . 1 1 86 86 GLN CB C 13 27.6 0.3 . 1 . . . . 157 GLN CB . 17819 1 227 . 1 1 86 86 GLN N N 15 117.1 0.3 . 1 . . . . 157 GLN N . 17819 1 228 . 1 1 88 88 LEU H H 1 7.66 0.02 . 1 . . . . 159 LEU H . 17819 1 229 . 1 1 88 88 LEU CA C 13 54.7 0.3 . 1 . . . . 159 LEU CA . 17819 1 230 . 1 1 88 88 LEU CB C 13 39.4 0.3 . 1 . . . . 159 LEU CB . 17819 1 231 . 1 1 88 88 LEU N N 15 117.1 0.3 . 1 . . . . 159 LEU N . 17819 1 232 . 1 1 89 89 ALA H H 1 6.96 0.02 . 1 . . . . 160 ALA H . 17819 1 233 . 1 1 89 89 ALA CA C 13 50.7 0.3 . 1 . . . . 160 ALA CA . 17819 1 234 . 1 1 89 89 ALA CB C 13 16.1 0.3 . 1 . . . . 160 ALA CB . 17819 1 235 . 1 1 89 89 ALA N N 15 124.7 0.3 . 1 . . . . 160 ALA N . 17819 1 236 . 1 1 92 92 ASN H H 1 7.02 0.02 . 1 . . . . 163 ASN H . 17819 1 237 . 1 1 92 92 ASN CA C 13 52.7 0.3 . 1 . . . . 163 ASN CA . 17819 1 238 . 1 1 92 92 ASN CB C 13 40.5 0.3 . 1 . . . . 163 ASN CB . 17819 1 239 . 1 1 92 92 ASN N N 15 116.5 0.3 . 1 . . . . 163 ASN N . 17819 1 240 . 1 1 93 93 MET H H 1 9.00 0.02 . 1 . . . . 164 MET H . 17819 1 241 . 1 1 93 93 MET CA C 13 54.0 0.3 . 1 . . . . 164 MET CA . 17819 1 242 . 1 1 93 93 MET CB C 13 35.0 0.3 . 1 . . . . 164 MET CB . 17819 1 243 . 1 1 93 93 MET N N 15 117.4 0.3 . 1 . . . . 164 MET N . 17819 1 244 . 1 1 94 94 LEU H H 1 8.26 0.02 . 1 . . . . 165 LEU H . 17819 1 245 . 1 1 94 94 LEU CA C 13 56.6 0.3 . 1 . . . . 165 LEU CA . 17819 1 246 . 1 1 94 94 LEU CB C 13 40.2 0.3 . 1 . . . . 165 LEU CB . 17819 1 247 . 1 1 94 94 LEU N N 15 121.6 0.3 . 1 . . . . 165 LEU N . 17819 1 248 . 1 1 95 95 GLY H H 1 8.88 0.02 . 1 . . . . 166 GLY H . 17819 1 249 . 1 1 95 95 GLY CA C 13 45.7 0.3 . 1 . . . . 166 GLY CA . 17819 1 250 . 1 1 95 95 GLY N N 15 115.6 0.3 . 1 . . . . 166 GLY N . 17819 1 251 . 1 1 96 96 SER H H 1 8.48 0.02 . 1 . . . . 167 SER H . 17819 1 252 . 1 1 96 96 SER CA C 13 60.8 0.3 . 1 . . . . 167 SER CA . 17819 1 253 . 1 1 96 96 SER CB C 13 62.5 0.3 . 1 . . . . 167 SER CB . 17819 1 254 . 1 1 96 96 SER N N 15 120.9 0.3 . 1 . . . . 167 SER N . 17819 1 255 . 1 1 97 97 PHE H H 1 7.55 0.02 . 1 . . . . 168 PHE H . 17819 1 256 . 1 1 97 97 PHE CA C 13 55.4 0.3 . 1 . . . . 168 PHE CA . 17819 1 257 . 1 1 97 97 PHE CB C 13 43.0 0.3 . 1 . . . . 168 PHE CB . 17819 1 258 . 1 1 97 97 PHE N N 15 115.2 0.3 . 1 . . . . 168 PHE N . 17819 1 259 . 1 1 98 98 MET H H 1 8.73 0.02 . 1 . . . . 169 MET H . 17819 1 260 . 1 1 98 98 MET CA C 13 54.5 0.3 . 1 . . . . 169 MET CA . 17819 1 261 . 1 1 98 98 MET CB C 13 37.2 0.3 . 1 . . . . 169 MET CB . 17819 1 262 . 1 1 98 98 MET N N 15 114.3 0.3 . 1 . . . . 169 MET N . 17819 1 263 . 1 1 99 99 ILE H H 1 9.38 0.02 . 1 . . . . 170 ILE H . 17819 1 264 . 1 1 99 99 ILE CA C 13 60.0 0.3 . 1 . . . . 170 ILE CA . 17819 1 265 . 1 1 99 99 ILE CB C 13 37.1 0.3 . 1 . . . . 170 ILE CB . 17819 1 266 . 1 1 99 99 ILE N N 15 122.1 0.3 . 1 . . . . 170 ILE N . 17819 1 267 . 1 1 100 100 ARG H H 1 8.93 0.02 . 1 . . . . 171 ARG H . 17819 1 268 . 1 1 100 100 ARG CA C 13 52.3 0.3 . 1 . . . . 171 ARG CA . 17819 1 269 . 1 1 100 100 ARG CB C 13 32.5 0.3 . 1 . . . . 171 ARG CB . 17819 1 270 . 1 1 100 100 ARG N N 15 122.7 0.3 . 1 . . . . 171 ARG N . 17819 1 271 . 1 1 101 101 ASP H H 1 8.62 0.02 . 1 . . . . 172 ASP H . 17819 1 272 . 1 1 101 101 ASP CA C 13 54.3 0.3 . 1 . . . . 172 ASP CA . 17819 1 273 . 1 1 101 101 ASP CB C 13 40.6 0.3 . 1 . . . . 172 ASP CB . 17819 1 274 . 1 1 101 101 ASP N N 15 120.7 0.3 . 1 . . . . 172 ASP N . 17819 1 275 . 1 1 102 102 SER H H 1 7.99 0.02 . 1 . . . . 173 SER H . 17819 1 276 . 1 1 102 102 SER CA C 13 57.1 0.3 . 1 . . . . 173 SER CA . 17819 1 277 . 1 1 102 102 SER CB C 13 62.8 0.3 . 1 . . . . 173 SER CB . 17819 1 278 . 1 1 102 102 SER N N 15 115.7 0.3 . 1 . . . . 173 SER N . 17819 1 279 . 1 1 103 103 GLU H H 1 8.09 0.02 . 1 . . . . 174 GLU H . 17819 1 280 . 1 1 103 103 GLU CA C 13 53.4 0.3 . 1 . . . . 174 GLU CA . 17819 1 281 . 1 1 103 103 GLU CB C 13 32.1 0.3 . 1 . . . . 174 GLU CB . 17819 1 282 . 1 1 103 103 GLU N N 15 122.7 0.3 . 1 . . . . 174 GLU N . 17819 1 283 . 1 1 108 108 SER H H 1 7.59 0.02 . 1 . . . . 179 SER H . 17819 1 284 . 1 1 108 108 SER CA C 13 56.6 0.3 . 1 . . . . 179 SER CA . 17819 1 285 . 1 1 108 108 SER CB C 13 63.8 0.3 . 1 . . . . 179 SER CB . 17819 1 286 . 1 1 108 108 SER N N 15 114.7 0.3 . 1 . . . . 179 SER N . 17819 1 287 . 1 1 109 109 TYR H H 1 8.78 0.02 . 1 . . . . 180 TYR H . 17819 1 288 . 1 1 109 109 TYR CA C 13 57.0 0.3 . 1 . . . . 180 TYR CA . 17819 1 289 . 1 1 109 109 TYR CB C 13 41.7 0.3 . 1 . . . . 180 TYR CB . 17819 1 290 . 1 1 109 109 TYR N N 15 121.8 0.3 . 1 . . . . 180 TYR N . 17819 1 291 . 1 1 110 110 SER H H 1 9.20 0.02 . 1 . . . . 181 SER H . 17819 1 292 . 1 1 110 110 SER CA C 13 57.2 0.3 . 1 . . . . 181 SER CA . 17819 1 293 . 1 1 110 110 SER CB C 13 65.3 0.3 . 1 . . . . 181 SER CB . 17819 1 294 . 1 1 110 110 SER N N 15 116.4 0.3 . 1 . . . . 181 SER N . 17819 1 295 . 1 1 111 111 LEU H H 1 9.35 0.02 . 1 . . . . 182 LEU H . 17819 1 296 . 1 1 111 111 LEU CA C 13 52.8 0.3 . 1 . . . . 182 LEU CA . 17819 1 297 . 1 1 111 111 LEU CB C 13 43.6 0.3 . 1 . . . . 182 LEU CB . 17819 1 298 . 1 1 111 111 LEU N N 15 127.3 0.3 . 1 . . . . 182 LEU N . 17819 1 299 . 1 1 112 112 SER H H 1 9.13 0.02 . 1 . . . . 183 SER H . 17819 1 300 . 1 1 112 112 SER CA C 13 57.9 0.3 . 1 . . . . 183 SER CA . 17819 1 301 . 1 1 112 112 SER CB C 13 64.4 0.3 . 1 . . . . 183 SER CB . 17819 1 302 . 1 1 112 112 SER N N 15 125.0 0.3 . 1 . . . . 183 SER N . 17819 1 303 . 1 1 113 113 VAL H H 1 8.99 0.02 . 1 . . . . 184 VAL H . 17819 1 304 . 1 1 113 113 VAL CA C 13 59.7 0.3 . 1 . . . . 184 VAL CA . 17819 1 305 . 1 1 113 113 VAL CB C 13 35.5 0.3 . 1 . . . . 184 VAL CB . 17819 1 306 . 1 1 113 113 VAL N N 15 123.1 0.3 . 1 . . . . 184 VAL N . 17819 1 307 . 1 1 114 114 ARG H H 1 8.94 0.02 . 1 . . . . 185 ARG H . 17819 1 308 . 1 1 114 114 ARG CA C 13 56.5 0.3 . 1 . . . . 185 ARG CA . 17819 1 309 . 1 1 114 114 ARG CB C 13 29.8 0.3 . 1 . . . . 185 ARG CB . 17819 1 310 . 1 1 114 114 ARG N N 15 128.0 0.3 . 1 . . . . 185 ARG N . 17819 1 311 . 1 1 115 115 ASP H H 1 9.16 0.02 . 1 . . . . 186 ASP H . 17819 1 312 . 1 1 115 115 ASP CA C 13 51.5 0.3 . 1 . . . . 186 ASP CA . 17819 1 313 . 1 1 115 115 ASP N N 15 130.4 0.3 . 1 . . . . 186 ASP N . 17819 1 314 . 1 1 116 116 TYR H H 1 8.53 0.02 . 1 . . . . 187 TYR H . 17819 1 315 . 1 1 116 116 TYR CA C 13 58.3 0.3 . 1 . . . . 187 TYR CA . 17819 1 316 . 1 1 116 116 TYR CB C 13 40.9 0.3 . 1 . . . . 187 TYR CB . 17819 1 317 . 1 1 116 116 TYR N N 15 123.1 0.3 . 1 . . . . 187 TYR N . 17819 1 318 . 1 1 117 117 ASP H H 1 7.52 0.02 . 1 . . . . 188 ASP H . 17819 1 319 . 1 1 117 117 ASP CA C 13 50.1 0.3 . 1 . . . . 188 ASP CA . 17819 1 320 . 1 1 117 117 ASP CB C 13 43.7 0.3 . 1 . . . . 188 ASP CB . 17819 1 321 . 1 1 117 117 ASP N N 15 128.6 0.3 . 1 . . . . 188 ASP N . 17819 1 322 . 1 1 119 119 ARG H H 1 8.14 0.02 . 1 . . . . 190 ARG H . 17819 1 323 . 1 1 119 119 ARG CA C 13 56.8 0.3 . 1 . . . . 190 ARG CA . 17819 1 324 . 1 1 119 119 ARG CB C 13 29.3 0.3 . 1 . . . . 190 ARG CB . 17819 1 325 . 1 1 119 119 ARG N N 15 116.2 0.3 . 1 . . . . 190 ARG N . 17819 1 326 . 1 1 120 120 GLN H H 1 8.31 0.02 . 1 . . . . 191 GLN H . 17819 1 327 . 1 1 120 120 GLN CA C 13 55.7 0.3 . 1 . . . . 191 GLN CA . 17819 1 328 . 1 1 120 120 GLN CB C 13 30.0 0.3 . 1 . . . . 191 GLN CB . 17819 1 329 . 1 1 120 120 GLN N N 15 116.8 0.3 . 1 . . . . 191 GLN N . 17819 1 330 . 1 1 121 121 GLY H H 1 8.42 0.02 . 1 . . . . 192 GLY H . 17819 1 331 . 1 1 121 121 GLY CA C 13 43.9 0.3 . 1 . . . . 192 GLY CA . 17819 1 332 . 1 1 121 121 GLY N N 15 110.2 0.3 . 1 . . . . 192 GLY N . 17819 1 333 . 1 1 122 122 ASP H H 1 8.28 0.02 . 1 . . . . 193 ASP H . 17819 1 334 . 1 1 122 122 ASP CA C 13 55.2 0.3 . 1 . . . . 193 ASP CA . 17819 1 335 . 1 1 122 122 ASP CB C 13 41.1 0.3 . 1 . . . . 193 ASP CB . 17819 1 336 . 1 1 122 122 ASP N N 15 123.9 0.3 . 1 . . . . 193 ASP N . 17819 1 337 . 1 1 123 123 THR H H 1 8.09 0.02 . 1 . . . . 194 THR H . 17819 1 338 . 1 1 123 123 THR CA C 13 59.5 0.3 . 1 . . . . 194 THR CA . 17819 1 339 . 1 1 123 123 THR CB C 13 70.9 0.3 . 1 . . . . 194 THR CB . 17819 1 340 . 1 1 123 123 THR N N 15 115.6 0.3 . 1 . . . . 194 THR N . 17819 1 341 . 1 1 124 124 VAL H H 1 8.17 0.02 . 1 . . . . 195 VAL H . 17819 1 342 . 1 1 124 124 VAL CA C 13 60.1 0.3 . 1 . . . . 195 VAL CA . 17819 1 343 . 1 1 124 124 VAL CB C 13 34.0 0.3 . 1 . . . . 195 VAL CB . 17819 1 344 . 1 1 124 124 VAL N N 15 120.7 0.3 . 1 . . . . 195 VAL N . 17819 1 345 . 1 1 125 125 LYS H H 1 8.59 0.02 . 1 . . . . 196 LYS H . 17819 1 346 . 1 1 125 125 LYS CA C 13 52.9 0.3 . 1 . . . . 196 LYS CA . 17819 1 347 . 1 1 125 125 LYS CB C 13 34.3 0.3 . 1 . . . . 196 LYS CB . 17819 1 348 . 1 1 125 125 LYS N N 15 127.0 0.3 . 1 . . . . 196 LYS N . 17819 1 349 . 1 1 126 126 HIS H H 1 8.11 0.02 . 1 . . . . 197 HIS H . 17819 1 350 . 1 1 126 126 HIS CA C 13 53.6 0.3 . 1 . . . . 197 HIS CA . 17819 1 351 . 1 1 126 126 HIS CB C 13 32.5 0.3 . 1 . . . . 197 HIS CB . 17819 1 352 . 1 1 126 126 HIS N N 15 119.3 0.3 . 1 . . . . 197 HIS N . 17819 1 353 . 1 1 127 127 TYR H H 1 9.75 0.02 . 1 . . . . 198 TYR H . 17819 1 354 . 1 1 127 127 TYR CA C 13 56.2 0.3 . 1 . . . . 198 TYR CA . 17819 1 355 . 1 1 127 127 TYR CB C 13 40.3 0.3 . 1 . . . . 198 TYR CB . 17819 1 356 . 1 1 127 127 TYR N N 15 122.0 0.3 . 1 . . . . 198 TYR N . 17819 1 357 . 1 1 128 128 LYS H H 1 8.88 0.02 . 1 . . . . 199 LYS H . 17819 1 358 . 1 1 128 128 LYS CA C 13 56.1 0.3 . 1 . . . . 199 LYS CA . 17819 1 359 . 1 1 128 128 LYS CB C 13 31.3 0.3 . 1 . . . . 199 LYS CB . 17819 1 360 . 1 1 128 128 LYS N N 15 125.4 0.3 . 1 . . . . 199 LYS N . 17819 1 361 . 1 1 129 129 ILE H H 1 8.54 0.02 . 1 . . . . 200 ILE H . 17819 1 362 . 1 1 129 129 ILE CA C 13 60.4 0.3 . 1 . . . . 200 ILE CA . 17819 1 363 . 1 1 129 129 ILE CB C 13 36.4 0.3 . 1 . . . . 200 ILE CB . 17819 1 364 . 1 1 129 129 ILE N N 15 126.6 0.3 . 1 . . . . 200 ILE N . 17819 1 365 . 1 1 130 130 ARG H H 1 8.74 0.02 . 1 . . . . 201 ARG H . 17819 1 366 . 1 1 130 130 ARG CA C 13 54.1 0.3 . 1 . . . . 201 ARG CA . 17819 1 367 . 1 1 130 130 ARG CB C 13 30.1 0.3 . 1 . . . . 201 ARG CB . 17819 1 368 . 1 1 130 130 ARG N N 15 129.7 0.3 . 1 . . . . 201 ARG N . 17819 1 369 . 1 1 131 131 THR H H 1 7.98 0.02 . 1 . . . . 202 THR H . 17819 1 370 . 1 1 131 131 THR CA C 13 58.9 0.3 . 1 . . . . 202 THR CA . 17819 1 371 . 1 1 131 131 THR CB C 13 70.3 0.3 . 1 . . . . 202 THR CB . 17819 1 372 . 1 1 131 131 THR N N 15 109.9 0.3 . 1 . . . . 202 THR N . 17819 1 373 . 1 1 132 132 LEU H H 1 8.11 0.02 . 1 . . . . 203 LEU H . 17819 1 374 . 1 1 132 132 LEU CA C 13 53.1 0.3 . 1 . . . . 203 LEU CA . 17819 1 375 . 1 1 132 132 LEU CB C 13 42.0 0.3 . 1 . . . . 203 LEU CB . 17819 1 376 . 1 1 132 132 LEU N N 15 124.7 0.3 . 1 . . . . 203 LEU N . 17819 1 377 . 1 1 135 135 GLY H H 1 7.63 0.02 . 1 . . . . 206 GLY H . 17819 1 378 . 1 1 135 135 GLY CA C 13 44.3 0.3 . 1 . . . . 206 GLY CA . 17819 1 379 . 1 1 135 135 GLY N N 15 108.8 0.3 . 1 . . . . 206 GLY N . 17819 1 380 . 1 1 136 136 GLY H H 1 7.72 0.02 . 1 . . . . 207 GLY H . 17819 1 381 . 1 1 136 136 GLY CA C 13 44.1 0.3 . 1 . . . . 207 GLY CA . 17819 1 382 . 1 1 136 136 GLY N N 15 110.1 0.3 . 1 . . . . 207 GLY N . 17819 1 383 . 1 1 137 137 PHE H H 1 9.10 0.02 . 1 . . . . 208 PHE H . 17819 1 384 . 1 1 137 137 PHE CA C 13 56.6 0.3 . 1 . . . . 208 PHE CA . 17819 1 385 . 1 1 137 137 PHE CB C 13 43.0 0.3 . 1 . . . . 208 PHE CB . 17819 1 386 . 1 1 137 137 PHE N N 15 117.9 0.3 . 1 . . . . 208 PHE N . 17819 1 387 . 1 1 138 138 TYR H H 1 8.89 0.02 . 1 . . . . 209 TYR H . 17819 1 388 . 1 1 138 138 TYR CA C 13 57.7 0.3 . 1 . . . . 209 TYR CA . 17819 1 389 . 1 1 138 138 TYR CB C 13 39.9 0.3 . 1 . . . . 209 TYR CB . 17819 1 390 . 1 1 138 138 TYR N N 15 115.4 0.3 . 1 . . . . 209 TYR N . 17819 1 391 . 1 1 139 139 ILE H H 1 9.70 0.02 . 1 . . . . 210 ILE H . 17819 1 392 . 1 1 139 139 ILE CA C 13 62.8 0.3 . 1 . . . . 210 ILE CA . 17819 1 393 . 1 1 139 139 ILE N N 15 120.2 0.3 . 1 . . . . 210 ILE N . 17819 1 394 . 1 1 142 142 ARG H H 1 7.44 0.02 . 1 . . . . 213 ARG H . 17819 1 395 . 1 1 142 142 ARG CA C 13 56.7 0.3 . 1 . . . . 213 ARG CA . 17819 1 396 . 1 1 142 142 ARG N N 15 114.8 0.3 . 1 . . . . 213 ARG N . 17819 1 397 . 1 1 143 143 SER H H 1 7.65 0.02 . 1 . . . . 214 SER H . 17819 1 398 . 1 1 143 143 SER CA C 13 56.3 0.3 . 1 . . . . 214 SER CA . 17819 1 399 . 1 1 143 143 SER CB C 13 63.6 0.3 . 1 . . . . 214 SER CB . 17819 1 400 . 1 1 143 143 SER N N 15 116.9 0.3 . 1 . . . . 214 SER N . 17819 1 401 . 1 1 144 144 THR H H 1 7.58 0.02 . 1 . . . . 215 THR H . 17819 1 402 . 1 1 144 144 THR CA C 13 58.9 0.3 . 1 . . . . 215 THR CA . 17819 1 403 . 1 1 144 144 THR CB C 13 69.9 0.3 . 1 . . . . 215 THR CB . 17819 1 404 . 1 1 144 144 THR N N 15 114.5 0.3 . 1 . . . . 215 THR N . 17819 1 405 . 1 1 145 145 PHE H H 1 8.98 0.02 . 1 . . . . 216 PHE H . 17819 1 406 . 1 1 145 145 PHE CA C 13 56.1 0.3 . 1 . . . . 216 PHE CA . 17819 1 407 . 1 1 145 145 PHE CB C 13 43.1 0.3 . 1 . . . . 216 PHE CB . 17819 1 408 . 1 1 145 145 PHE N N 15 119.0 0.3 . 1 . . . . 216 PHE N . 17819 1 409 . 1 1 146 146 SER H H 1 9.39 0.02 . 1 . . . . 217 SER H . 17819 1 410 . 1 1 146 146 SER CA C 13 60.9 0.3 . 1 . . . . 217 SER CA . 17819 1 411 . 1 1 146 146 SER CB C 13 62.7 0.3 . 1 . . . . 217 SER CB . 17819 1 412 . 1 1 146 146 SER N N 15 118.3 0.3 . 1 . . . . 217 SER N . 17819 1 413 . 1 1 147 147 THR H H 1 7.40 0.02 . 1 . . . . 218 THR H . 17819 1 414 . 1 1 147 147 THR CA C 13 58.6 0.3 . 1 . . . . 218 THR CA . 17819 1 415 . 1 1 147 147 THR CB C 13 72.6 0.3 . 1 . . . . 218 THR CB . 17819 1 416 . 1 1 147 147 THR N N 15 106.9 0.3 . 1 . . . . 218 THR N . 17819 1 417 . 1 1 148 148 LEU H H 1 8.91 0.02 . 1 . . . . 219 LEU H . 17819 1 418 . 1 1 148 148 LEU CA C 13 56.2 0.3 . 1 . . . . 219 LEU CA . 17819 1 419 . 1 1 148 148 LEU CB C 13 40.3 0.3 . 1 . . . . 219 LEU CB . 17819 1 420 . 1 1 148 148 LEU N N 15 122.2 0.3 . 1 . . . . 219 LEU N . 17819 1 421 . 1 1 149 149 GLN H H 1 8.78 0.02 . 1 . . . . 220 GLN H . 17819 1 422 . 1 1 149 149 GLN CA C 13 59.5 0.3 . 1 . . . . 220 GLN CA . 17819 1 423 . 1 1 149 149 GLN CB C 13 26.6 0.3 . 1 . . . . 220 GLN CB . 17819 1 424 . 1 1 149 149 GLN N N 15 118.6 0.3 . 1 . . . . 220 GLN N . 17819 1 425 . 1 1 150 150 GLU H H 1 7.72 0.02 . 1 . . . . 221 GLU H . 17819 1 426 . 1 1 150 150 GLU CA C 13 58.3 0.3 . 1 . . . . 221 GLU CA . 17819 1 427 . 1 1 150 150 GLU CB C 13 29.5 0.3 . 1 . . . . 221 GLU CB . 17819 1 428 . 1 1 150 150 GLU N N 15 118.8 0.3 . 1 . . . . 221 GLU N . 17819 1 429 . 1 1 151 151 LEU H H 1 6.85 0.02 . 1 . . . . 222 LEU H . 17819 1 430 . 1 1 151 151 LEU CA C 13 58.4 0.3 . 1 . . . . 222 LEU CA . 17819 1 431 . 1 1 151 151 LEU CB C 13 40.1 0.3 . 1 . . . . 222 LEU CB . 17819 1 432 . 1 1 151 151 LEU N N 15 123.5 0.3 . 1 . . . . 222 LEU N . 17819 1 433 . 1 1 152 152 VAL H H 1 7.77 0.02 . 1 . . . . 223 VAL H . 17819 1 434 . 1 1 152 152 VAL CA C 13 66.2 0.3 . 1 . . . . 223 VAL CA . 17819 1 435 . 1 1 152 152 VAL CB C 13 30.0 0.3 . 1 . . . . 223 VAL CB . 17819 1 436 . 1 1 152 152 VAL N N 15 120.4 0.3 . 1 . . . . 223 VAL N . 17819 1 437 . 1 1 153 153 ASP H H 1 7.78 0.02 . 1 . . . . 224 ASP H . 17819 1 438 . 1 1 153 153 ASP CA C 13 56.9 0.3 . 1 . . . . 224 ASP CA . 17819 1 439 . 1 1 153 153 ASP CB C 13 39.9 0.3 . 1 . . . . 224 ASP CB . 17819 1 440 . 1 1 153 153 ASP N N 15 116.9 0.3 . 1 . . . . 224 ASP N . 17819 1 441 . 1 1 154 154 HIS H H 1 7.59 0.02 . 1 . . . . 225 HIS H . 17819 1 442 . 1 1 154 154 HIS CA C 13 59.8 0.3 . 1 . . . . 225 HIS CA . 17819 1 443 . 1 1 154 154 HIS N N 15 118.8 0.3 . 1 . . . . 225 HIS N . 17819 1 444 . 1 1 155 155 TYR H H 1 7.47 0.02 . 1 . . . . 226 TYR H . 17819 1 445 . 1 1 155 155 TYR CA C 13 60.5 0.3 . 1 . . . . 226 TYR CA . 17819 1 446 . 1 1 155 155 TYR N N 15 117.2 0.3 . 1 . . . . 226 TYR N . 17819 1 447 . 1 1 156 156 LYS H H 1 7.60 0.02 . 1 . . . . 227 LYS H . 17819 1 448 . 1 1 156 156 LYS CA C 13 57.2 0.3 . 1 . . . . 227 LYS CA . 17819 1 449 . 1 1 156 156 LYS CB C 13 32.9 0.3 . 1 . . . . 227 LYS CB . 17819 1 450 . 1 1 156 156 LYS N N 15 119.2 0.3 . 1 . . . . 227 LYS N . 17819 1 451 . 1 1 157 157 LYS H H 1 7.28 0.02 . 1 . . . . 228 LYS H . 17819 1 452 . 1 1 157 157 LYS CA C 13 57.1 0.3 . 1 . . . . 228 LYS CA . 17819 1 453 . 1 1 157 157 LYS CB C 13 31.7 0.3 . 1 . . . . 228 LYS CB . 17819 1 454 . 1 1 157 157 LYS N N 15 117.8 0.3 . 1 . . . . 228 LYS N . 17819 1 455 . 1 1 158 158 GLY H H 1 7.02 0.02 . 1 . . . . 229 GLY H . 17819 1 456 . 1 1 158 158 GLY CA C 13 44.4 0.3 . 1 . . . . 229 GLY CA . 17819 1 457 . 1 1 158 158 GLY N N 15 106.0 0.3 . 1 . . . . 229 GLY N . 17819 1 458 . 1 1 160 160 ASP H H 1 8.51 0.02 . 1 . . . . 231 ASP H . 17819 1 459 . 1 1 160 160 ASP CA C 13 53.9 0.3 . 1 . . . . 231 ASP CA . 17819 1 460 . 1 1 160 160 ASP CB C 13 39.9 0.3 . 1 . . . . 231 ASP CB . 17819 1 461 . 1 1 160 160 ASP N N 15 118.6 0.3 . 1 . . . . 231 ASP N . 17819 1 462 . 1 1 161 161 GLY H H 1 7.93 0.02 . 1 . . . . 232 GLY H . 17819 1 463 . 1 1 161 161 GLY CA C 13 44.7 0.3 . 1 . . . . 232 GLY CA . 17819 1 464 . 1 1 161 161 GLY N N 15 105.9 0.3 . 1 . . . . 232 GLY N . 17819 1 465 . 1 1 162 162 LEU H H 1 8.26 0.02 . 1 . . . . 233 LEU H . 17819 1 466 . 1 1 162 162 LEU CA C 13 53.6 0.3 . 1 . . . . 233 LEU CA . 17819 1 467 . 1 1 162 162 LEU CB C 13 41.1 0.3 . 1 . . . . 233 LEU CB . 17819 1 468 . 1 1 162 162 LEU N N 15 120.4 0.3 . 1 . . . . 233 LEU N . 17819 1 469 . 1 1 164 164 GLN H H 1 6.85 0.02 . 1 . . . . 235 GLN H . 17819 1 470 . 1 1 164 164 GLN CB C 13 32.4 0.3 . 1 . . . . 235 GLN CB . 17819 1 471 . 1 1 164 164 GLN N N 15 117.7 0.3 . 1 . . . . 235 GLN N . 17819 1 472 . 1 1 165 165 LYS H H 1 7.88 0.02 . 1 . . . . 236 LYS H . 17819 1 473 . 1 1 165 165 LYS CA C 13 55.7 0.3 . 1 . . . . 236 LYS CA . 17819 1 474 . 1 1 165 165 LYS CB C 13 31.3 0.3 . 1 . . . . 236 LYS CB . 17819 1 475 . 1 1 165 165 LYS N N 15 119.4 0.3 . 1 . . . . 236 LYS N . 17819 1 476 . 1 1 166 166 LEU H H 1 7.65 0.02 . 1 . . . . 237 LEU H . 17819 1 477 . 1 1 166 166 LEU CA C 13 54.2 0.3 . 1 . . . . 237 LEU CA . 17819 1 478 . 1 1 166 166 LEU CB C 13 38.2 0.3 . 1 . . . . 237 LEU CB . 17819 1 479 . 1 1 166 166 LEU N N 15 124.9 0.3 . 1 . . . . 237 LEU N . 17819 1 480 . 1 1 167 167 SER H H 1 8.38 0.02 . 1 . . . . 238 SER H . 17819 1 481 . 1 1 167 167 SER CA C 13 56.0 0.3 . 1 . . . . 238 SER CA . 17819 1 482 . 1 1 167 167 SER CB C 13 63.4 0.3 . 1 . . . . 238 SER CB . 17819 1 483 . 1 1 167 167 SER N N 15 117.0 0.3 . 1 . . . . 238 SER N . 17819 1 484 . 1 1 168 168 VAL H H 1 8.04 0.02 . 1 . . . . 239 VAL H . 17819 1 485 . 1 1 168 168 VAL CA C 13 57.3 0.3 . 1 . . . . 239 VAL CA . 17819 1 486 . 1 1 168 168 VAL CB C 13 32.9 0.3 . 1 . . . . 239 VAL CB . 17819 1 487 . 1 1 168 168 VAL N N 15 117.9 0.3 . 1 . . . . 239 VAL N . 17819 1 488 . 1 1 170 170 CYS H H 1 8.46 0.02 . 1 . . . . 241 CYS H . 17819 1 489 . 1 1 170 170 CYS CA C 13 59.2 0.3 . 1 . . . . 241 CYS CA . 17819 1 490 . 1 1 170 170 CYS CB C 13 27.0 0.3 . 1 . . . . 241 CYS CB . 17819 1 491 . 1 1 170 170 CYS N N 15 123.8 0.3 . 1 . . . . 241 CYS N . 17819 1 492 . 1 1 171 171 MET H H 1 8.63 0.02 . 1 . . . . 242 MET H . 17819 1 493 . 1 1 171 171 MET CA C 13 56.0 0.3 . 1 . . . . 242 MET CA . 17819 1 494 . 1 1 171 171 MET CB C 13 31.9 0.3 . 1 . . . . 242 MET CB . 17819 1 495 . 1 1 171 171 MET N N 15 128.7 0.3 . 1 . . . . 242 MET N . 17819 1 496 . 1 1 172 172 SER H H 1 8.51 0.02 . 1 . . . . 243 SER H . 17819 1 497 . 1 1 172 172 SER CA C 13 57.6 0.3 . 1 . . . . 243 SER CA . 17819 1 498 . 1 1 172 172 SER CB C 13 63.3 0.3 . 1 . . . . 243 SER CB . 17819 1 499 . 1 1 172 172 SER N N 15 118.7 0.3 . 1 . . . . 243 SER N . 17819 1 500 . 1 1 174 174 LYS H H 1 8.26 0.02 . 1 . . . . 245 LYS H . 17819 1 501 . 1 1 174 174 LYS CA C 13 53.8 0.3 . 1 . . . . 245 LYS CA . 17819 1 502 . 1 1 174 174 LYS CB C 13 31.1 0.3 . 1 . . . . 245 LYS CB . 17819 1 503 . 1 1 174 174 LYS N N 15 124.5 0.3 . 1 . . . . 245 LYS N . 17819 1 504 . 1 1 176 176 GLN H H 1 8.35 0.02 . 1 . . . . 247 GLN H . 17819 1 505 . 1 1 176 176 GLN CA C 13 55.1 0.3 . 1 . . . . 247 GLN CA . 17819 1 506 . 1 1 176 176 GLN CB C 13 28.7 0.3 . 1 . . . . 247 GLN CB . 17819 1 507 . 1 1 176 176 GLN N N 15 121.2 0.3 . 1 . . . . 247 GLN N . 17819 1 508 . 1 1 177 177 LYS H H 1 8.32 0.02 . 1 . . . . 248 LYS H . 17819 1 509 . 1 1 177 177 LYS CA C 13 53.2 0.3 . 1 . . . . 248 LYS CA . 17819 1 510 . 1 1 177 177 LYS CB C 13 30.4 0.3 . 1 . . . . 248 LYS CB . 17819 1 511 . 1 1 177 177 LYS N N 15 123.3 0.3 . 1 . . . . 248 LYS N . 17819 1 512 . 1 1 179 179 TRP H H 1 7.38 0.02 . 1 . . . . 250 TRP H . 17819 1 513 . 1 1 179 179 TRP CA C 13 56.9 0.3 . 1 . . . . 250 TRP CA . 17819 1 514 . 1 1 179 179 TRP CB C 13 27.6 0.3 . 1 . . . . 250 TRP CB . 17819 1 515 . 1 1 179 179 TRP N N 15 117.6 0.3 . 1 . . . . 250 TRP N . 17819 1 516 . 1 1 180 180 GLU H H 1 7.66 0.02 . 1 . . . . 251 GLU H . 17819 1 517 . 1 1 180 180 GLU CA C 13 55.9 0.3 . 1 . . . . 251 GLU CA . 17819 1 518 . 1 1 180 180 GLU CB C 13 29.3 0.3 . 1 . . . . 251 GLU CB . 17819 1 519 . 1 1 180 180 GLU N N 15 123.0 0.3 . 1 . . . . 251 GLU N . 17819 1 520 . 1 1 181 181 LYS H H 1 7.79 0.02 . 1 . . . . 252 LYS H . 17819 1 521 . 1 1 181 181 LYS CA C 13 56.2 0.3 . 1 . . . . 252 LYS CA . 17819 1 522 . 1 1 181 181 LYS CB C 13 31.7 0.3 . 1 . . . . 252 LYS CB . 17819 1 523 . 1 1 181 181 LYS N N 15 121.6 0.3 . 1 . . . . 252 LYS N . 17819 1 524 . 1 1 182 182 ASP H H 1 8.25 0.02 . 1 . . . . 253 ASP H . 17819 1 525 . 1 1 182 182 ASP CA C 13 54.3 0.3 . 1 . . . . 253 ASP CA . 17819 1 526 . 1 1 182 182 ASP CB C 13 40.1 0.3 . 1 . . . . 253 ASP CB . 17819 1 527 . 1 1 182 182 ASP N N 15 121.0 0.3 . 1 . . . . 253 ASP N . 17819 1 528 . 1 1 183 183 ALA H H 1 7.99 0.02 . 1 . . . . 254 ALA H . 17819 1 529 . 1 1 183 183 ALA CA C 13 52.8 0.3 . 1 . . . . 254 ALA CA . 17819 1 530 . 1 1 183 183 ALA CB C 13 17.7 0.3 . 1 . . . . 254 ALA CB . 17819 1 531 . 1 1 183 183 ALA N N 15 123.5 0.3 . 1 . . . . 254 ALA N . 17819 1 532 . 1 1 184 184 TRP H H 1 7.90 0.02 . 1 . . . . 255 TRP H . 17819 1 533 . 1 1 184 184 TRP CA C 13 57.5 0.3 . 1 . . . . 255 TRP CA . 17819 1 534 . 1 1 184 184 TRP CB C 13 28.2 0.3 . 1 . . . . 255 TRP CB . 17819 1 535 . 1 1 184 184 TRP N N 15 119.3 0.3 . 1 . . . . 255 TRP N . 17819 1 536 . 1 1 185 185 GLU H H 1 8.01 0.02 . 1 . . . . 256 GLU H . 17819 1 537 . 1 1 185 185 GLU CA C 13 56.7 0.3 . 1 . . . . 256 GLU CA . 17819 1 538 . 1 1 185 185 GLU CB C 13 28.7 0.3 . 1 . . . . 256 GLU CB . 17819 1 539 . 1 1 185 185 GLU N N 15 121.3 0.3 . 1 . . . . 256 GLU N . 17819 1 540 . 1 1 186 186 LEU H H 1 7.81 0.02 . 1 . . . . 257 LEU H . 17819 1 541 . 1 1 186 186 LEU CA C 13 55.1 0.3 . 1 . . . . 257 LEU CA . 17819 1 542 . 1 1 186 186 LEU CB C 13 40.9 0.3 . 1 . . . . 257 LEU CB . 17819 1 543 . 1 1 186 186 LEU N N 15 121.5 0.3 . 1 . . . . 257 LEU N . 17819 1 544 . 1 1 187 187 GLU H H 1 8.00 0.02 . 1 . . . . 258 GLU H . 17819 1 545 . 1 1 187 187 GLU CA C 13 56.3 0.3 . 1 . . . . 258 GLU CA . 17819 1 546 . 1 1 187 187 GLU CB C 13 29.0 0.3 . 1 . . . . 258 GLU CB . 17819 1 547 . 1 1 187 187 GLU N N 15 120.2 0.3 . 1 . . . . 258 GLU N . 17819 1 548 . 1 1 193 193 HIS H H 1 7.78 0.02 . 1 . . . . 264 HIS H . 17819 1 549 . 1 1 193 193 HIS CA C 13 57.1 0.3 . 1 . . . . 264 HIS CA . 17819 1 550 . 1 1 193 193 HIS CB C 13 30.1 0.3 . 1 . . . . 264 HIS CB . 17819 1 551 . 1 1 193 193 HIS N N 15 126.1 0.3 . 1 . . . . 264 HIS N . 17819 1 stop_ save_