data_5208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5208 _Entry.Title ; 1H, 13C and 15N resonance assignments for the perdeuterated 22 kD palm-thumb domain of DNA polymerase B ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-11-14 _Entry.Accession_date 2001-11-14 _Entry.Last_release_date 2002-05-07 _Entry.Original_release_date 2002-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Michael Gryk . R. . 5208 2 Mark Maciejewski . W. . 5208 3 Anthony Robertson . . . 5208 4 Mary Mullen . A. . 5208 5 Samuel Wilson . H. . 5208 6 Gregory Mullen . P. . 5208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 354 5208 '13C chemical shifts' 621 5208 '15N chemical shifts' 168 5208 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 . . 2002-05-07 2001-11-14 original author . 5208 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21880671 _Citation.DOI . _Citation.PubMed_ID 11883786 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments for the Perdeuterated 22 kD Palm-thumb Domain of DNA Polymerase Beta ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 197 _Citation.Page_last 198 _Citation.Year 2002 _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 Michael Gryk . R. . 5208 1 2 Mark Maciejewski . W. . 5208 1 3 Anthony Robertson . . . 5208 1 4 Mary Mullen . A. . 5208 1 5 Samuel Wilson . H. . 5208 1 6 Gregory Mullen . P. . 5208 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Rattus norvegicus' 5208 1 'DNA polymerase B' 5208 1 TROSY 5208 1 deuteration 5208 1 'DNA repair' 5208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_B-pol _Assembly.Sf_category assembly _Assembly.Sf_framecode system_B-pol _Assembly.Entry_ID 5208 _Assembly.ID 1 _Assembly.Name 'Palm-Thumb Domain of DNA Polymerase B' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.7.7 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5208 1 stop_ 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 'B-Pol palm-thumb' 1 $B-Pol . . . native . . . . . 5208 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BPB . . . . . ; The crystal structure is of the 31 kD, 'fingers-palm-thumb' domain ; 5208 1 yes PDB 1BPD . . . . . ; The crystal structure is of the full length polymerase ; 5208 1 yes PDB 1BPE . . . . . ; The crystal structure is of the full length polymerase complexed with Deoxy-ATP ; 5208 1 yes PDB 1BPX . . . . . ; The crystal structure is of HUMAN polymerase in complex with gapped DNA ; 5208 1 yes PDB 1BNP . . . . . ; The solution structures are of the N-terminal 8 kD domain of polymerase b ; 5208 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Palm-Thumb Domain of DNA Polymerase B' system 5208 1 B-pol abbreviation 5208 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA polmerization (C-terminal domain)' 5208 1 'DNA binding (N-terminal domain)' 5208 1 'deoxyribose 5'-phosphate excision at incised abasic sites (N-terminal domain)' 5208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B-Pol _Entity.Sf_category entity _Entity.Sf_framecode B-Pol _Entity.Entry_ID 5208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA Polymerase B' _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 ; MGKRIPREEMLQMQDIVLNE VKKLDPEYIATVCGSFRRGA ESSGDMDVLLTHPNFTSESS KQPKLLHRVVEQLQKVRFIT DTLSKGETKFMGVCQLPSEN DENEYPHRRIDIRLIPKDQY YCGVLYFTGSDIFNKNMRAH ALEKGFTINEYTIRPLGVTG VAGEPLPVDSEQDIFDYIQW RYREPKDRSE ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 22022 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'First 3 residues: MGK are not native to full length B-Pol.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 18267 . DNA_Polymerase_beta_polypeptide . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 2 no BMRB 7319 . "pol beta" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 3 no PDB 1BPB . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 4 no PDB 1BPD . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 5 no PDB 1BPE . "Crystal Structure Of Rat Dna Polymerase Beta; Evidence For A Common Polymerase Mechanism" . . . . . 98.95 335 100.00 100.00 1.34e-136 . . . . 5208 1 6 no PDB 1HUO . "Crystal Structure Of Dna Polymerase Beta Complexed With Dna And Cr-Tmppcp" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 7 no PDB 1HUZ . "Crystal Structure Of Dna Polymerase Complexed With Dna And Cr-Pcp" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 8 no PDB 1JN3 . "Fidelity Properties And Structure Of M282l Mutator Mutant Of Dna Polymerase: Subtle Structural Changes Influence The Mechanism " . . . . . 98.95 251 99.47 100.00 5.19e-136 . . . . 5208 1 9 no PDB 1NOM . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7), 31-kd Domain; Soaked In The Presence Of Mncl2 (5 Millimolar)" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 10 no PDB 1RPL . "2.3 Angstroms Crystal Structure Of The Catalytic Domain Of Dna Polymerase Beta" . . . . . 98.95 251 100.00 100.00 1.51e-136 . . . . 5208 1 11 no PDB 1ZQU . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Artificial Mother Liquor" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 12 no PDB 1ZQV . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Cacl2 (150 Millimolar)" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 13 no PDB 1ZQW . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Cscl (150 Millimolar)" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 14 no PDB 1ZQX . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Kcl (150 Millimolar)" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 15 no PDB 1ZQY . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Mgcl2 (50 Millimolar)" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 16 no PDB 1ZQZ . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Mncl2 (50 Millimolar)" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 17 no PDB 2BPC . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 98.95 248 100.00 100.00 1.97e-136 . . . . 5208 1 18 no PDB 2BPF . "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 19 no PDB 2BPG . "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 20 no PDB 2VAN . "Nucleotidyl Transfer Mechanism Of Mismatched Dntp Incorporation By Dna Polymerase B By Structural And Kinetic Analyses" . . . . . 98.95 245 99.47 99.47 2.39e-135 . . . . 5208 1 21 no PDB 3K75 . "X-Ray Crystal Structure Of Reduced Xrcc1 Bound To Dna Pol Beta Catalytic Domain" . . . . . 98.95 252 100.00 100.00 1.97e-136 . . . . 5208 1 22 no PDB 3LQC . "X-Ray Crystal Structure Of Oxidized Xrcc1 Bound To Dna Pol B Thumb Domain" . . . . . 98.95 200 100.00 100.00 1.40e-136 . . . . 5208 1 23 no PDB 3UXN . "Crystal Structure Of Rat Dna Polymerase Beta, Wild Type Apoenzyme" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 24 no PDB 3UXO . "Crystal Structure Of Rat Dna Polymerase Beta Mutator I260q Apoenzyme" . . . . . 98.95 335 99.47 99.47 1.48e-135 . . . . 5208 1 25 no PDB 3UXP . "Co-crystal Structure Of Rat Dna Polymerase Beta Mutator I260q: Enzyme- Dna-ddttp" . . . . . 98.95 335 99.47 99.47 1.48e-135 . . . . 5208 1 26 no PDB 3V72 . "Crystal Structure Of Rat Dna Polymerase Beta Mutator E295k: Enzyme- Dsdna" . . . . . 98.95 335 99.47 100.00 3.90e-136 . . . . 5208 1 27 no PDB 3V7J . "Co-crystal Structure Of Wild Type Rat Polymerase Beta: Enzyme-dna Binary Complex" . . . . . 98.95 340 100.00 100.00 2.80e-136 . . . . 5208 1 28 no PDB 3V7K . "Co-crystal Structure Of K72e Variant Of Rat Polymerase Beta: Enzyme- Dna Binary Complex" . . . . . 98.95 340 100.00 100.00 2.48e-136 . . . . 5208 1 29 no PDB 3V7L . "Apo Structure Of Rat Dna Polymerase Beta K72e Variant" . . . . . 98.95 340 100.00 100.00 2.48e-136 . . . . 5208 1 30 no GB AAA41900 . "polymerase beta [Rattus norvegicus]" . . . . . 98.95 318 99.47 99.47 6.29e-136 . . . . 5208 1 31 no GB AAA41901 . "DNA polymerase beta [Rattus norvegicus]" . . . . . 98.95 335 99.47 99.47 1.15e-135 . . . . 5208 1 32 no GB AAB00389 . "high molecular weight DNA polymerase beta [Rattus norvegicus]" . . . . . 98.95 335 99.47 99.47 1.15e-135 . . . . 5208 1 33 no GB AAH98668 . "Polymerase (DNA directed), beta [Rattus norvegicus]" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 34 no GB EDM09009 . "rCG43201 [Rattus norvegicus]" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 35 no REF NP_058837 . "DNA polymerase beta [Rattus norvegicus]" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 36 no SP P06766 . "RecName: Full=DNA polymerase beta [Rattus norvegicus]" . . . . . 98.95 335 100.00 100.00 1.13e-136 . . . . 5208 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA Polymerase B' common 5208 1 B-Pol abbreviation 5208 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 -3 MET . 5208 1 2 -2 GLY . 5208 1 3 -1 LYS . 5208 1 4 149 ARG . 5208 1 5 150 ILE . 5208 1 6 151 PRO . 5208 1 7 152 ARG . 5208 1 8 153 GLU . 5208 1 9 154 GLU . 5208 1 10 155 MET . 5208 1 11 156 LEU . 5208 1 12 157 GLN . 5208 1 13 158 MET . 5208 1 14 159 GLN . 5208 1 15 160 ASP . 5208 1 16 161 ILE . 5208 1 17 162 VAL . 5208 1 18 163 LEU . 5208 1 19 164 ASN . 5208 1 20 165 GLU . 5208 1 21 166 VAL . 5208 1 22 167 LYS . 5208 1 23 168 LYS . 5208 1 24 169 LEU . 5208 1 25 170 ASP . 5208 1 26 171 PRO . 5208 1 27 172 GLU . 5208 1 28 173 TYR . 5208 1 29 174 ILE . 5208 1 30 175 ALA . 5208 1 31 176 THR . 5208 1 32 177 VAL . 5208 1 33 178 CYS . 5208 1 34 179 GLY . 5208 1 35 180 SER . 5208 1 36 181 PHE . 5208 1 37 182 ARG . 5208 1 38 183 ARG . 5208 1 39 184 GLY . 5208 1 40 185 ALA . 5208 1 41 186 GLU . 5208 1 42 187 SER . 5208 1 43 188 SER . 5208 1 44 189 GLY . 5208 1 45 190 ASP . 5208 1 46 191 MET . 5208 1 47 192 ASP . 5208 1 48 193 VAL . 5208 1 49 194 LEU . 5208 1 50 195 LEU . 5208 1 51 196 THR . 5208 1 52 197 HIS . 5208 1 53 198 PRO . 5208 1 54 199 ASN . 5208 1 55 200 PHE . 5208 1 56 201 THR . 5208 1 57 202 SER . 5208 1 58 203 GLU . 5208 1 59 204 SER . 5208 1 60 205 SER . 5208 1 61 206 LYS . 5208 1 62 207 GLN . 5208 1 63 208 PRO . 5208 1 64 209 LYS . 5208 1 65 210 LEU . 5208 1 66 211 LEU . 5208 1 67 212 HIS . 5208 1 68 213 ARG . 5208 1 69 214 VAL . 5208 1 70 215 VAL . 5208 1 71 216 GLU . 5208 1 72 217 GLN . 5208 1 73 218 LEU . 5208 1 74 219 GLN . 5208 1 75 220 LYS . 5208 1 76 221 VAL . 5208 1 77 222 ARG . 5208 1 78 223 PHE . 5208 1 79 224 ILE . 5208 1 80 225 THR . 5208 1 81 226 ASP . 5208 1 82 227 THR . 5208 1 83 228 LEU . 5208 1 84 229 SER . 5208 1 85 230 LYS . 5208 1 86 231 GLY . 5208 1 87 232 GLU . 5208 1 88 233 THR . 5208 1 89 234 LYS . 5208 1 90 235 PHE . 5208 1 91 236 MET . 5208 1 92 237 GLY . 5208 1 93 238 VAL . 5208 1 94 239 CYS . 5208 1 95 240 GLN . 5208 1 96 241 LEU . 5208 1 97 242 PRO . 5208 1 98 243 SER . 5208 1 99 244 GLU . 5208 1 100 245 ASN . 5208 1 101 246 ASP . 5208 1 102 247 GLU . 5208 1 103 248 ASN . 5208 1 104 249 GLU . 5208 1 105 250 TYR . 5208 1 106 251 PRO . 5208 1 107 252 HIS . 5208 1 108 253 ARG . 5208 1 109 254 ARG . 5208 1 110 255 ILE . 5208 1 111 256 ASP . 5208 1 112 257 ILE . 5208 1 113 258 ARG . 5208 1 114 259 LEU . 5208 1 115 260 ILE . 5208 1 116 261 PRO . 5208 1 117 262 LYS . 5208 1 118 263 ASP . 5208 1 119 264 GLN . 5208 1 120 265 TYR . 5208 1 121 266 TYR . 5208 1 122 267 CYS . 5208 1 123 268 GLY . 5208 1 124 269 VAL . 5208 1 125 270 LEU . 5208 1 126 271 TYR . 5208 1 127 272 PHE . 5208 1 128 273 THR . 5208 1 129 274 GLY . 5208 1 130 275 SER . 5208 1 131 276 ASP . 5208 1 132 277 ILE . 5208 1 133 278 PHE . 5208 1 134 279 ASN . 5208 1 135 280 LYS . 5208 1 136 281 ASN . 5208 1 137 282 MET . 5208 1 138 283 ARG . 5208 1 139 284 ALA . 5208 1 140 285 HIS . 5208 1 141 286 ALA . 5208 1 142 287 LEU . 5208 1 143 288 GLU . 5208 1 144 289 LYS . 5208 1 145 290 GLY . 5208 1 146 291 PHE . 5208 1 147 292 THR . 5208 1 148 293 ILE . 5208 1 149 294 ASN . 5208 1 150 295 GLU . 5208 1 151 296 TYR . 5208 1 152 297 THR . 5208 1 153 298 ILE . 5208 1 154 299 ARG . 5208 1 155 300 PRO . 5208 1 156 301 LEU . 5208 1 157 302 GLY . 5208 1 158 303 VAL . 5208 1 159 304 THR . 5208 1 160 305 GLY . 5208 1 161 306 VAL . 5208 1 162 307 ALA . 5208 1 163 308 GLY . 5208 1 164 309 GLU . 5208 1 165 310 PRO . 5208 1 166 311 LEU . 5208 1 167 312 PRO . 5208 1 168 313 VAL . 5208 1 169 314 ASP . 5208 1 170 315 SER . 5208 1 171 316 GLU . 5208 1 172 317 GLN . 5208 1 173 318 ASP . 5208 1 174 319 ILE . 5208 1 175 320 PHE . 5208 1 176 321 ASP . 5208 1 177 322 TYR . 5208 1 178 323 ILE . 5208 1 179 324 GLN . 5208 1 180 325 TRP . 5208 1 181 326 ARG . 5208 1 182 327 TYR . 5208 1 183 328 ARG . 5208 1 184 329 GLU . 5208 1 185 330 PRO . 5208 1 186 331 LYS . 5208 1 187 332 ASP . 5208 1 188 333 ARG . 5208 1 189 334 SER . 5208 1 190 335 GLU . 5208 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 5208 1 . GLY 2 2 5208 1 . LYS 3 3 5208 1 . ARG 4 4 5208 1 . ILE 5 5 5208 1 . PRO 6 6 5208 1 . ARG 7 7 5208 1 . GLU 8 8 5208 1 . GLU 9 9 5208 1 . MET 10 10 5208 1 . LEU 11 11 5208 1 . GLN 12 12 5208 1 . MET 13 13 5208 1 . GLN 14 14 5208 1 . ASP 15 15 5208 1 . ILE 16 16 5208 1 . VAL 17 17 5208 1 . LEU 18 18 5208 1 . ASN 19 19 5208 1 . GLU 20 20 5208 1 . VAL 21 21 5208 1 . LYS 22 22 5208 1 . LYS 23 23 5208 1 . LEU 24 24 5208 1 . ASP 25 25 5208 1 . PRO 26 26 5208 1 . GLU 27 27 5208 1 . TYR 28 28 5208 1 . ILE 29 29 5208 1 . ALA 30 30 5208 1 . THR 31 31 5208 1 . VAL 32 32 5208 1 . CYS 33 33 5208 1 . GLY 34 34 5208 1 . SER 35 35 5208 1 . PHE 36 36 5208 1 . ARG 37 37 5208 1 . ARG 38 38 5208 1 . GLY 39 39 5208 1 . ALA 40 40 5208 1 . GLU 41 41 5208 1 . SER 42 42 5208 1 . SER 43 43 5208 1 . GLY 44 44 5208 1 . ASP 45 45 5208 1 . MET 46 46 5208 1 . ASP 47 47 5208 1 . VAL 48 48 5208 1 . LEU 49 49 5208 1 . LEU 50 50 5208 1 . THR 51 51 5208 1 . HIS 52 52 5208 1 . PRO 53 53 5208 1 . ASN 54 54 5208 1 . PHE 55 55 5208 1 . THR 56 56 5208 1 . SER 57 57 5208 1 . GLU 58 58 5208 1 . SER 59 59 5208 1 . SER 60 60 5208 1 . LYS 61 61 5208 1 . GLN 62 62 5208 1 . PRO 63 63 5208 1 . LYS 64 64 5208 1 . LEU 65 65 5208 1 . LEU 66 66 5208 1 . HIS 67 67 5208 1 . ARG 68 68 5208 1 . VAL 69 69 5208 1 . VAL 70 70 5208 1 . GLU 71 71 5208 1 . GLN 72 72 5208 1 . LEU 73 73 5208 1 . GLN 74 74 5208 1 . LYS 75 75 5208 1 . VAL 76 76 5208 1 . ARG 77 77 5208 1 . PHE 78 78 5208 1 . ILE 79 79 5208 1 . THR 80 80 5208 1 . ASP 81 81 5208 1 . THR 82 82 5208 1 . LEU 83 83 5208 1 . SER 84 84 5208 1 . LYS 85 85 5208 1 . GLY 86 86 5208 1 . GLU 87 87 5208 1 . THR 88 88 5208 1 . LYS 89 89 5208 1 . PHE 90 90 5208 1 . MET 91 91 5208 1 . GLY 92 92 5208 1 . VAL 93 93 5208 1 . CYS 94 94 5208 1 . GLN 95 95 5208 1 . LEU 96 96 5208 1 . PRO 97 97 5208 1 . SER 98 98 5208 1 . GLU 99 99 5208 1 . ASN 100 100 5208 1 . ASP 101 101 5208 1 . GLU 102 102 5208 1 . ASN 103 103 5208 1 . GLU 104 104 5208 1 . TYR 105 105 5208 1 . PRO 106 106 5208 1 . HIS 107 107 5208 1 . ARG 108 108 5208 1 . ARG 109 109 5208 1 . ILE 110 110 5208 1 . ASP 111 111 5208 1 . ILE 112 112 5208 1 . ARG 113 113 5208 1 . LEU 114 114 5208 1 . ILE 115 115 5208 1 . PRO 116 116 5208 1 . LYS 117 117 5208 1 . ASP 118 118 5208 1 . GLN 119 119 5208 1 . TYR 120 120 5208 1 . TYR 121 121 5208 1 . CYS 122 122 5208 1 . GLY 123 123 5208 1 . VAL 124 124 5208 1 . LEU 125 125 5208 1 . TYR 126 126 5208 1 . PHE 127 127 5208 1 . THR 128 128 5208 1 . GLY 129 129 5208 1 . SER 130 130 5208 1 . ASP 131 131 5208 1 . ILE 132 132 5208 1 . PHE 133 133 5208 1 . ASN 134 134 5208 1 . LYS 135 135 5208 1 . ASN 136 136 5208 1 . MET 137 137 5208 1 . ARG 138 138 5208 1 . ALA 139 139 5208 1 . HIS 140 140 5208 1 . ALA 141 141 5208 1 . LEU 142 142 5208 1 . GLU 143 143 5208 1 . LYS 144 144 5208 1 . GLY 145 145 5208 1 . PHE 146 146 5208 1 . THR 147 147 5208 1 . ILE 148 148 5208 1 . ASN 149 149 5208 1 . GLU 150 150 5208 1 . TYR 151 151 5208 1 . THR 152 152 5208 1 . ILE 153 153 5208 1 . ARG 154 154 5208 1 . PRO 155 155 5208 1 . LEU 156 156 5208 1 . GLY 157 157 5208 1 . VAL 158 158 5208 1 . THR 159 159 5208 1 . GLY 160 160 5208 1 . VAL 161 161 5208 1 . ALA 162 162 5208 1 . GLY 163 163 5208 1 . GLU 164 164 5208 1 . PRO 165 165 5208 1 . LEU 166 166 5208 1 . PRO 167 167 5208 1 . VAL 168 168 5208 1 . ASP 169 169 5208 1 . SER 170 170 5208 1 . GLU 171 171 5208 1 . GLN 172 172 5208 1 . ASP 173 173 5208 1 . ILE 174 174 5208 1 . PHE 175 175 5208 1 . ASP 176 176 5208 1 . TYR 177 177 5208 1 . ILE 178 178 5208 1 . GLN 179 179 5208 1 . TRP 180 180 5208 1 . ARG 181 181 5208 1 . TYR 182 182 5208 1 . ARG 183 183 5208 1 . GLU 184 184 5208 1 . PRO 185 185 5208 1 . LYS 186 186 5208 1 . ASP 187 187 5208 1 . ARG 188 188 5208 1 . SER 189 189 5208 1 . GLU 190 190 5208 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5208 _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 $B-Pol . 10116 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5208 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 5208 _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 $B-Pol . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-28a(+) . . . . . . 5208 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_perdeuterated _Sample.Sf_category sample _Sample.Sf_framecode perdeuterated _Sample.Entry_ID 5208 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'AEBSF is 4-(2-aminoethyl)-benzenesulfonyl fluoride.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'DNA Polymerase B' ; U-98% 13C; U-99% 15N; U-97% 2H; except V g-methyls, L d-methyls, I d-methyl, and labile protons. ; . . 1 $B-Pol . . 1.0 0.6 1.3 mM . . . . 5208 1 2 phosphate . . . . . . . 46 40 50 mM . . . . 5208 1 3 'sodium chloride' . . . . . . . 135 130 140 mM . . . . 5208 1 4 'sodium azide' . . . . . . . 0.002 0.015 0.025 % . . . . 5208 1 5 AEBSF . . . . . . . 100 90 110 uM . . . . 5208 1 6 'dithiothreitol (DTT)' . . . . . . . 1 0.95 1.05 mM . . . . 5208 1 7 H2O . . . . . . . 90 . . % . . . . 5208 1 8 D2O . . . . . . . 10 . . % . . . . 5208 1 stop_ save_ ####################### # Sample conditions # ####################### save_perdeuterated_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode perdeuterated_cond1 _Sample_condition_list.Entry_ID 5208 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 na 5208 1 temperature 298 1 K 5208 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5208 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J. & Bax, A. (1995) J. Biomol NMR, 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5208 1 stop_ save_ save_sbtools _Software.Sf_category software _Software.Sf_framecode sbtools _Software.Entry_ID 5208 _Software.ID 2 _Software.Name sbtools _Software.Version . _Software.Details ; Web based program developed by Gryk, M.R. & Maciejewski, M.W. available from sbtools.uchc.edu. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing script generation' 5208 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5208 _Software.ID 3 _Software.Name XEASY _Software.Version 1.2 _Software.Details ; Bartels, C., Xia, T., Billeter, M., Guntert, P., and Wuthrich, K. (1995) J. Biomol. NMR, 6, 1-10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5208 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5208 _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 NMR_spectrometer Varian INOVA . 600 . . . 5208 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 5208 _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 TROSY 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 3 '2D CT 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 4 '3D TROSY HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 5 '3D TROSY HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 6 '3D TROSY HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 7 '2D CCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 8 '3D (HM)CMC(CM)HM' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 9 '3D 15N,13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5208 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TROSY 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D CT 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D TROSY HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D TROSY HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D TROSY HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D (HM)CMC(CM)HM' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5208 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N,13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The 2D CCH-TOCSY starts on 13C.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5208 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5208 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5208 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5208 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_Shift_Set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_Set_1 _Assigned_chem_shift_list.Entry_ID 5208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $perdeuterated_cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; Isotope induced shifts are uncorrected. No correction has been made for Bloch-Siegert effects. ; _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 TROSY 1H-15N HSQC' 1 $perdeuterated . 5208 1 2 '2D 1H-15N HSQC' 1 $perdeuterated . 5208 1 3 '2D CT 1H-13C HSQC' 1 $perdeuterated . 5208 1 4 '3D TROSY HNCACB' 1 $perdeuterated . 5208 1 5 '3D TROSY HNCO' 1 $perdeuterated . 5208 1 6 '3D TROSY HN(CA)CO' 1 $perdeuterated . 5208 1 7 '2D CCH-TOCSY' 1 $perdeuterated . 5208 1 8 '3D (HM)CMC(CM)HM' 1 $perdeuterated . 5208 1 9 '3D 15N,13C NOESY' 1 $perdeuterated . 5208 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 ARG H H 1 8.45 0.01 . 1 . . . . . . . . 5208 1 2 . 1 1 4 4 ARG N N 15 120.45 0.14 . 1 . . . . . . . . 5208 1 3 . 1 1 4 4 ARG C C 13 175.53 0.06 . 1 . . . . . . . . 5208 1 4 . 1 1 4 4 ARG CA C 13 55.17 0.27 . 1 . . . . . . . . 5208 1 5 . 1 1 4 4 ARG CB C 13 30.09 0.27 . 1 . . . . . . . . 5208 1 6 . 1 1 5 5 ILE H H 1 9.42 0.01 . 1 . . . . . . . . 5208 1 7 . 1 1 5 5 ILE N N 15 123.01 0.14 . 1 . . . . . . . . 5208 1 8 . 1 1 5 5 ILE C C 13 174.56 0.06 . 1 . . . . . . . . 5208 1 9 . 1 1 5 5 ILE CA C 13 58.61 0.27 . 1 . . . . . . . . 5208 1 10 . 1 1 5 5 ILE CB C 13 38.31 0.27 . 1 . . . . . . . . 5208 1 11 . 1 1 5 5 ILE CG1 C 13 25.64 0.02 . 1 . . . . . . . . 5208 1 12 . 1 1 5 5 ILE CD1 C 13 13.24 0.02 . 1 . . . . . . . . 5208 1 13 . 1 1 5 5 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 5208 1 14 . 1 1 5 5 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 5208 1 15 . 1 1 5 5 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 5208 1 16 . 1 1 6 6 PRO C C 13 178.48 0.06 . 1 . . . . . . . . 5208 1 17 . 1 1 6 6 PRO CA C 13 62.51 0.27 . 1 . . . . . . . . 5208 1 18 . 1 1 6 6 PRO CB C 13 31.98 0.27 . 1 . . . . . . . . 5208 1 19 . 1 1 7 7 ARG H H 1 8.41 0.01 . 1 . . . . . . . . 5208 1 20 . 1 1 7 7 ARG N N 15 125.54 0.14 . 1 . . . . . . . . 5208 1 21 . 1 1 7 7 ARG C C 13 177.42 0.06 . 1 . . . . . . . . 5208 1 22 . 1 1 7 7 ARG CA C 13 60.14 0.27 . 1 . . . . . . . . 5208 1 23 . 1 1 7 7 ARG CB C 13 28.58 0.27 . 1 . . . . . . . . 5208 1 24 . 1 1 8 8 GLU H H 1 9.43 0.01 . 1 . . . . . . . . 5208 1 25 . 1 1 8 8 GLU N N 15 115.52 0.14 . 1 . . . . . . . . 5208 1 26 . 1 1 8 8 GLU C C 13 179.81 0.06 . 1 . . . . . . . . 5208 1 27 . 1 1 8 8 GLU CA C 13 59.86 0.27 . 1 . . . . . . . . 5208 1 28 . 1 1 8 8 GLU CB C 13 28.39 0.27 . 1 . . . . . . . . 5208 1 29 . 1 1 9 9 GLU H H 1 7.23 0.01 . 1 . . . . . . . . 5208 1 30 . 1 1 9 9 GLU N N 15 118.78 0.14 . 1 . . . . . . . . 5208 1 31 . 1 1 9 9 GLU C C 13 178.73 0.06 . 1 . . . . . . . . 5208 1 32 . 1 1 9 9 GLU CA C 13 58.49 0.27 . 1 . . . . . . . . 5208 1 33 . 1 1 9 9 GLU CB C 13 29.86 0.27 . 1 . . . . . . . . 5208 1 34 . 1 1 10 10 MET H H 1 7.88 0.01 . 1 . . . . . . . . 5208 1 35 . 1 1 10 10 MET N N 15 120.04 0.14 . 1 . . . . . . . . 5208 1 36 . 1 1 10 10 MET C C 13 179.25 0.06 . 1 . . . . . . . . 5208 1 37 . 1 1 10 10 MET CA C 13 56.59 0.27 . 1 . . . . . . . . 5208 1 38 . 1 1 10 10 MET CB C 13 30.98 0.27 . 1 . . . . . . . . 5208 1 39 . 1 1 11 11 LEU H H 1 8.85 0.01 . 1 . . . . . . . . 5208 1 40 . 1 1 11 11 LEU N N 15 119.05 0.14 . 1 . . . . . . . . 5208 1 41 . 1 1 11 11 LEU C C 13 179.80 0.06 . 1 . . . . . . . . 5208 1 42 . 1 1 11 11 LEU CA C 13 57.94 0.27 . 1 . . . . . . . . 5208 1 43 . 1 1 11 11 LEU CB C 13 41.05 0.27 . 1 . . . . . . . . 5208 1 44 . 1 1 11 11 LEU CG C 13 26.96 0.11 . 1 . . . . . . . . 5208 1 45 . 1 1 11 11 LEU CD1 C 13 25.83 0.02 . 2 . . . . . . . . 5208 1 46 . 1 1 11 11 LEU HD11 H 1 1 0.01 . 2 . . . . . . . . 5208 1 47 . 1 1 11 11 LEU HD12 H 1 1 0.01 . 2 . . . . . . . . 5208 1 48 . 1 1 11 11 LEU HD13 H 1 1 0.01 . 2 . . . . . . . . 5208 1 49 . 1 1 11 11 LEU CD2 C 13 23.22 0.02 . 2 . . . . . . . . 5208 1 50 . 1 1 11 11 LEU HD21 H 1 1.08 0.01 . 2 . . . . . . . . 5208 1 51 . 1 1 11 11 LEU HD22 H 1 1.08 0.01 . 2 . . . . . . . . 5208 1 52 . 1 1 11 11 LEU HD23 H 1 1.08 0.01 . 2 . . . . . . . . 5208 1 53 . 1 1 12 12 GLN H H 1 7.08 0.01 . 1 . . . . . . . . 5208 1 54 . 1 1 12 12 GLN N N 15 118.48 0.14 . 1 . . . . . . . . 5208 1 55 . 1 1 12 12 GLN C C 13 179.18 0.06 . 1 . . . . . . . . 5208 1 56 . 1 1 12 12 GLN CA C 13 58.51 0.27 . 1 . . . . . . . . 5208 1 57 . 1 1 12 12 GLN CB C 13 29.28 0.27 . 1 . . . . . . . . 5208 1 58 . 1 1 13 13 MET H H 1 8.39 0.01 . 1 . . . . . . . . 5208 1 59 . 1 1 13 13 MET N N 15 119.82 0.14 . 1 . . . . . . . . 5208 1 60 . 1 1 13 13 MET C C 13 176.93 0.06 . 1 . . . . . . . . 5208 1 61 . 1 1 13 13 MET CA C 13 59.07 0.27 . 1 . . . . . . . . 5208 1 62 . 1 1 13 13 MET CB C 13 33.91 0.27 . 1 . . . . . . . . 5208 1 63 . 1 1 14 14 GLN H H 1 8.88 0.01 . 1 . . . . . . . . 5208 1 64 . 1 1 14 14 GLN N N 15 118.36 0.14 . 1 . . . . . . . . 5208 1 65 . 1 1 14 14 GLN C C 13 176.08 0.06 . 1 . . . . . . . . 5208 1 66 . 1 1 14 14 GLN CA C 13 59.21 0.27 . 1 . . . . . . . . 5208 1 67 . 1 1 14 14 GLN CB C 13 28.74 0.27 . 1 . . . . . . . . 5208 1 68 . 1 1 15 15 ASP H H 1 7.60 0.01 . 1 . . . . . . . . 5208 1 69 . 1 1 15 15 ASP N N 15 117.84 0.14 . 1 . . . . . . . . 5208 1 70 . 1 1 15 15 ASP C C 13 178.18 0.06 . 1 . . . . . . . . 5208 1 71 . 1 1 15 15 ASP CA C 13 57.44 0.27 . 1 . . . . . . . . 5208 1 72 . 1 1 15 15 ASP CB C 13 40.08 0.27 . 1 . . . . . . . . 5208 1 73 . 1 1 16 16 ILE H H 1 7.17 0.01 . 1 . . . . . . . . 5208 1 74 . 1 1 16 16 ILE N N 15 118.41 0.14 . 1 . . . . . . . . 5208 1 75 . 1 1 16 16 ILE C C 13 177.66 0.06 . 1 . . . . . . . . 5208 1 76 . 1 1 16 16 ILE CA C 13 64.85 0.27 . 1 . . . . . . . . 5208 1 77 . 1 1 16 16 ILE CB C 13 37.23 0.27 . 1 . . . . . . . . 5208 1 78 . 1 1 16 16 ILE CG1 C 13 28.29 0.02 . 1 . . . . . . . . 5208 1 79 . 1 1 16 16 ILE CD1 C 13 14.19 0.02 . 1 . . . . . . . . 5208 1 80 . 1 1 16 16 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 5208 1 81 . 1 1 16 16 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 5208 1 82 . 1 1 16 16 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 5208 1 83 . 1 1 17 17 VAL H H 1 7.37 0.01 . 1 . . . . . . . . 5208 1 84 . 1 1 17 17 VAL N N 15 116.77 0.14 . 1 . . . . . . . . 5208 1 85 . 1 1 17 17 VAL C C 13 177.24 0.06 . 1 . . . . . . . . 5208 1 86 . 1 1 17 17 VAL CA C 13 66.84 0.27 . 1 . . . . . . . . 5208 1 87 . 1 1 17 17 VAL CB C 13 31.32 0.27 . 1 . . . . . . . . 5208 1 88 . 1 1 17 17 VAL CG1 C 13 20.47 0.02 . 2 . . . . . . . . 5208 1 89 . 1 1 17 17 VAL HG11 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 90 . 1 1 17 17 VAL HG12 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 91 . 1 1 17 17 VAL HG13 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 92 . 1 1 17 17 VAL CG2 C 13 23.78 0.02 . 2 . . . . . . . . 5208 1 93 . 1 1 17 17 VAL HG21 H 1 0.73 0.01 . 2 . . . . . . . . 5208 1 94 . 1 1 17 17 VAL HG22 H 1 0.73 0.01 . 2 . . . . . . . . 5208 1 95 . 1 1 17 17 VAL HG23 H 1 0.73 0.01 . 2 . . . . . . . . 5208 1 96 . 1 1 18 18 LEU H H 1 8.82 0.01 . 1 . . . . . . . . 5208 1 97 . 1 1 18 18 LEU N N 15 116.22 0.14 . 1 . . . . . . . . 5208 1 98 . 1 1 18 18 LEU C C 13 180.47 0.06 . 1 . . . . . . . . 5208 1 99 . 1 1 18 18 LEU CA C 13 58.16 0.27 . 1 . . . . . . . . 5208 1 100 . 1 1 18 18 LEU CB C 13 39.43 0.27 . 1 . . . . . . . . 5208 1 101 . 1 1 18 18 LEU CG C 13 27.63 0.11 . 1 . . . . . . . . 5208 1 102 . 1 1 18 18 LEU CD1 C 13 24.52 0.02 . 2 . . . . . . . . 5208 1 103 . 1 1 18 18 LEU HD11 H 1 0.9 0.01 . 2 . . . . . . . . 5208 1 104 . 1 1 18 18 LEU HD12 H 1 0.9 0.01 . 2 . . . . . . . . 5208 1 105 . 1 1 18 18 LEU HD13 H 1 0.9 0.01 . 2 . . . . . . . . 5208 1 106 . 1 1 18 18 LEU CD2 C 13 22.75 0.02 . 2 . . . . . . . . 5208 1 107 . 1 1 18 18 LEU HD21 H 1 0.85 0.01 . 2 . . . . . . . . 5208 1 108 . 1 1 18 18 LEU HD22 H 1 0.85 0.01 . 2 . . . . . . . . 5208 1 109 . 1 1 18 18 LEU HD23 H 1 0.85 0.01 . 2 . . . . . . . . 5208 1 110 . 1 1 19 19 ASN H H 1 8.20 0.01 . 1 . . . . . . . . 5208 1 111 . 1 1 19 19 ASN N N 15 116.22 0.14 . 1 . . . . . . . . 5208 1 112 . 1 1 19 19 ASN C C 13 178.41 0.06 . 1 . . . . . . . . 5208 1 113 . 1 1 19 19 ASN CA C 13 55.91 0.27 . 1 . . . . . . . . 5208 1 114 . 1 1 19 19 ASN CB C 13 37.73 0.27 . 1 . . . . . . . . 5208 1 115 . 1 1 20 20 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5208 1 116 . 1 1 20 20 GLU N N 15 117.27 0.14 . 1 . . . . . . . . 5208 1 117 . 1 1 20 20 GLU C C 13 179.91 0.06 . 1 . . . . . . . . 5208 1 118 . 1 1 20 20 GLU CA C 13 58.25 0.27 . 1 . . . . . . . . 5208 1 119 . 1 1 20 20 GLU CB C 13 27.97 0.27 . 1 . . . . . . . . 5208 1 120 . 1 1 21 21 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 5208 1 121 . 1 1 21 21 VAL N N 15 117.84 0.14 . 1 . . . . . . . . 5208 1 122 . 1 1 21 21 VAL C C 13 176.66 0.06 . 1 . . . . . . . . 5208 1 123 . 1 1 21 21 VAL CA C 13 66.99 0.27 . 1 . . . . . . . . 5208 1 124 . 1 1 21 21 VAL CB C 13 30.78 0.27 . 1 . . . . . . . . 5208 1 125 . 1 1 21 21 VAL CG1 C 13 22.43 0.02 . 2 . . . . . . . . 5208 1 126 . 1 1 21 21 VAL HG11 H 1 0.66 0.01 . 2 . . . . . . . . 5208 1 127 . 1 1 21 21 VAL HG12 H 1 0.66 0.01 . 2 . . . . . . . . 5208 1 128 . 1 1 21 21 VAL HG13 H 1 0.66 0.01 . 2 . . . . . . . . 5208 1 129 . 1 1 21 21 VAL CG2 C 13 23.69 0.02 . 2 . . . . . . . . 5208 1 130 . 1 1 21 21 VAL HG21 H 1 0.76 0.01 . 2 . . . . . . . . 5208 1 131 . 1 1 21 21 VAL HG22 H 1 0.76 0.01 . 2 . . . . . . . . 5208 1 132 . 1 1 21 21 VAL HG23 H 1 0.76 0.01 . 2 . . . . . . . . 5208 1 133 . 1 1 22 22 LYS H H 1 7.60 0.01 . 1 . . . . . . . . 5208 1 134 . 1 1 22 22 LYS N N 15 117.71 0.14 . 1 . . . . . . . . 5208 1 135 . 1 1 22 22 LYS C C 13 178.52 0.06 . 1 . . . . . . . . 5208 1 136 . 1 1 22 22 LYS CA C 13 58.22 0.27 . 1 . . . . . . . . 5208 1 137 . 1 1 22 22 LYS CB C 13 31.28 0.27 . 1 . . . . . . . . 5208 1 138 . 1 1 23 23 LYS H H 1 7.32 0.01 . 1 . . . . . . . . 5208 1 139 . 1 1 23 23 LYS N N 15 115.81 0.14 . 1 . . . . . . . . 5208 1 140 . 1 1 23 23 LYS C C 13 178.85 0.06 . 1 . . . . . . . . 5208 1 141 . 1 1 23 23 LYS CA C 13 58.33 0.27 . 1 . . . . . . . . 5208 1 142 . 1 1 23 23 LYS CB C 13 31.75 0.27 . 1 . . . . . . . . 5208 1 143 . 1 1 24 24 LEU H H 1 7.36 0.01 . 1 . . . . . . . . 5208 1 144 . 1 1 24 24 LEU N N 15 118.89 0.14 . 1 . . . . . . . . 5208 1 145 . 1 1 24 24 LEU C C 13 178.09 0.06 . 1 . . . . . . . . 5208 1 146 . 1 1 24 24 LEU CA C 13 56.85 0.27 . 1 . . . . . . . . 5208 1 147 . 1 1 24 24 LEU CB C 13 42.55 0.27 . 1 . . . . . . . . 5208 1 148 . 1 1 24 24 LEU CG C 13 25.84 0.11 . 1 . . . . . . . . 5208 1 149 . 1 1 24 24 LEU CD1 C 13 23.55 0.02 . 2 . . . . . . . . 5208 1 150 . 1 1 24 24 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 5208 1 151 . 1 1 24 24 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 5208 1 152 . 1 1 24 24 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 5208 1 153 . 1 1 24 24 LEU CD2 C 13 26.11 0.02 . 2 . . . . . . . . 5208 1 154 . 1 1 24 24 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5208 1 155 . 1 1 24 24 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5208 1 156 . 1 1 24 24 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5208 1 157 . 1 1 25 25 ASP H H 1 7.80 0.01 . 1 . . . . . . . . 5208 1 158 . 1 1 25 25 ASP N N 15 114.60 0.14 . 1 . . . . . . . . 5208 1 159 . 1 1 25 25 ASP C C 13 175.92 0.06 . 1 . . . . . . . . 5208 1 160 . 1 1 25 25 ASP CA C 13 52.20 0.27 . 1 . . . . . . . . 5208 1 161 . 1 1 25 25 ASP CB C 13 42.17 0.27 . 1 . . . . . . . . 5208 1 162 . 1 1 26 26 PRO C C 13 177.06 0.06 . 1 . . . . . . . . 5208 1 163 . 1 1 26 26 PRO CA C 13 63.67 0.27 . 1 . . . . . . . . 5208 1 164 . 1 1 26 26 PRO CB C 13 31.67 0.27 . 1 . . . . . . . . 5208 1 165 . 1 1 27 27 GLU H H 1 8.60 0.01 . 1 . . . . . . . . 5208 1 166 . 1 1 27 27 GLU N N 15 115.53 0.14 . 1 . . . . . . . . 5208 1 167 . 1 1 27 27 GLU C C 13 178.71 0.06 . 1 . . . . . . . . 5208 1 168 . 1 1 27 27 GLU CA C 13 55.98 0.27 . 1 . . . . . . . . 5208 1 169 . 1 1 27 27 GLU CB C 13 28.58 0.27 . 1 . . . . . . . . 5208 1 170 . 1 1 28 28 TYR H H 1 7.56 0.01 . 1 . . . . . . . . 5208 1 171 . 1 1 28 28 TYR N N 15 115.72 0.14 . 1 . . . . . . . . 5208 1 172 . 1 1 28 28 TYR C C 13 177.56 0.06 . 1 . . . . . . . . 5208 1 173 . 1 1 28 28 TYR CA C 13 59.87 0.27 . 1 . . . . . . . . 5208 1 174 . 1 1 28 28 TYR CB C 13 40.16 0.27 . 1 . . . . . . . . 5208 1 175 . 1 1 29 29 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 5208 1 176 . 1 1 29 29 ILE N N 15 119.79 0.14 . 1 . . . . . . . . 5208 1 177 . 1 1 29 29 ILE C C 13 174.04 0.06 . 1 . . . . . . . . 5208 1 178 . 1 1 29 29 ILE CA C 13 61.00 0.27 . 1 . . . . . . . . 5208 1 179 . 1 1 29 29 ILE CB C 13 39.19 0.27 . 1 . . . . . . . . 5208 1 180 . 1 1 29 29 ILE CG1 C 13 26.08 0.02 . 1 . . . . . . . . 5208 1 181 . 1 1 29 29 ILE CD1 C 13 13.43 0.02 . 1 . . . . . . . . 5208 1 182 . 1 1 29 29 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 5208 1 183 . 1 1 29 29 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 5208 1 184 . 1 1 29 29 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 5208 1 185 . 1 1 30 30 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 5208 1 186 . 1 1 30 30 ALA N N 15 127.72 0.14 . 1 . . . . . . . . 5208 1 187 . 1 1 30 30 ALA C C 13 175.64 0.06 . 1 . . . . . . . . 5208 1 188 . 1 1 30 30 ALA CA C 13 49.55 0.27 . 1 . . . . . . . . 5208 1 189 . 1 1 30 30 ALA CB C 13 21.25 0.27 . 1 . . . . . . . . 5208 1 190 . 1 1 31 31 THR H H 1 8.49 0.01 . 1 . . . . . . . . 5208 1 191 . 1 1 31 31 THR N N 15 115.10 0.14 . 1 . . . . . . . . 5208 1 192 . 1 1 31 31 THR C C 13 173.47 0.06 . 1 . . . . . . . . 5208 1 193 . 1 1 31 31 THR CA C 13 61.65 0.27 . 1 . . . . . . . . 5208 1 194 . 1 1 31 31 THR CB C 13 71.30 0.27 . 1 . . . . . . . . 5208 1 195 . 1 1 32 32 VAL H H 1 9.66 0.01 . 1 . . . . . . . . 5208 1 196 . 1 1 32 32 VAL N N 15 130.67 0.14 . 1 . . . . . . . . 5208 1 197 . 1 1 32 32 VAL C C 13 176.76 0.06 . 1 . . . . . . . . 5208 1 198 . 1 1 32 32 VAL CA C 13 62.55 0.27 . 1 . . . . . . . . 5208 1 199 . 1 1 32 32 VAL CB C 13 30.43 0.27 . 1 . . . . . . . . 5208 1 200 . 1 1 32 32 VAL CG1 C 13 21.68 0.02 . 2 . . . . . . . . 5208 1 201 . 1 1 32 32 VAL HG11 H 1 0.92 0.01 . 1 . . . . . . . . 5208 1 202 . 1 1 32 32 VAL HG12 H 1 0.92 0.01 . 1 . . . . . . . . 5208 1 203 . 1 1 32 32 VAL HG13 H 1 0.92 0.01 . 1 . . . . . . . . 5208 1 204 . 1 1 32 32 VAL CG2 C 13 23.5 0.02 . 2 . . . . . . . . 5208 1 205 . 1 1 32 32 VAL HG21 H 1 0.92 0.01 . 1 . . . . . . . . 5208 1 206 . 1 1 32 32 VAL HG22 H 1 0.92 0.01 . 1 . . . . . . . . 5208 1 207 . 1 1 32 32 VAL HG23 H 1 0.92 0.01 . 1 . . . . . . . . 5208 1 208 . 1 1 33 33 CYS H H 1 8.68 0.01 . 1 . . . . . . . . 5208 1 209 . 1 1 33 33 CYS N N 15 125.05 0.14 . 1 . . . . . . . . 5208 1 210 . 1 1 33 33 CYS C C 13 173.39 0.06 . 1 . . . . . . . . 5208 1 211 . 1 1 33 33 CYS CA C 13 58.99 0.27 . 1 . . . . . . . . 5208 1 212 . 1 1 33 33 CYS CB C 13 26.73 0.27 . 1 . . . . . . . . 5208 1 213 . 1 1 34 34 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 5208 1 214 . 1 1 34 34 GLY N N 15 109.07 0.14 . 1 . . . . . . . . 5208 1 215 . 1 1 34 34 GLY C C 13 173.23 0.06 . 1 . . . . . . . . 5208 1 216 . 1 1 34 34 GLY CA C 13 44.94 0.27 . 1 . . . . . . . . 5208 1 217 . 1 1 35 35 SER C C 13 177.51 0.06 . 1 . . . . . . . . 5208 1 218 . 1 1 36 36 PHE H H 1 8.69 0.01 . 1 . . . . . . . . 5208 1 219 . 1 1 36 36 PHE N N 15 123.31 0.14 . 1 . . . . . . . . 5208 1 220 . 1 1 36 36 PHE C C 13 179.67 0.06 . 1 . . . . . . . . 5208 1 221 . 1 1 36 36 PHE CA C 13 60.68 0.27 . 1 . . . . . . . . 5208 1 222 . 1 1 36 36 PHE CB C 13 38.85 0.27 . 1 . . . . . . . . 5208 1 223 . 1 1 37 37 ARG H H 1 7.49 0.01 . 1 . . . . . . . . 5208 1 224 . 1 1 37 37 ARG N N 15 122.86 0.14 . 1 . . . . . . . . 5208 1 225 . 1 1 37 37 ARG C C 13 176.24 0.06 . 1 . . . . . . . . 5208 1 226 . 1 1 37 37 ARG CA C 13 58.38 0.27 . 1 . . . . . . . . 5208 1 227 . 1 1 37 37 ARG CB C 13 27.69 0.27 . 1 . . . . . . . . 5208 1 228 . 1 1 38 38 ARG H H 1 7.02 0.01 . 1 . . . . . . . . 5208 1 229 . 1 1 38 38 ARG N N 15 112.98 0.14 . 1 . . . . . . . . 5208 1 230 . 1 1 38 38 ARG C C 13 175.25 0.06 . 1 . . . . . . . . 5208 1 231 . 1 1 38 38 ARG CA C 13 55.78 0.27 . 1 . . . . . . . . 5208 1 232 . 1 1 38 38 ARG CB C 13 28.85 0.27 . 1 . . . . . . . . 5208 1 233 . 1 1 39 39 GLY H H 1 7.46 0.01 . 1 . . . . . . . . 5208 1 234 . 1 1 39 39 GLY N N 15 104.83 0.14 . 1 . . . . . . . . 5208 1 235 . 1 1 39 39 GLY C C 13 174.56 0.06 . 1 . . . . . . . . 5208 1 236 . 1 1 39 39 GLY CA C 13 44.63 0.27 . 1 . . . . . . . . 5208 1 237 . 1 1 40 40 ALA H H 1 7.50 0.01 . 1 . . . . . . . . 5208 1 238 . 1 1 40 40 ALA N N 15 121.39 0.14 . 1 . . . . . . . . 5208 1 239 . 1 1 40 40 ALA C C 13 179.02 0.06 . 1 . . . . . . . . 5208 1 240 . 1 1 40 40 ALA CA C 13 52.50 0.27 . 1 . . . . . . . . 5208 1 241 . 1 1 40 40 ALA CB C 13 19.63 0.27 . 1 . . . . . . . . 5208 1 242 . 1 1 41 41 GLU H H 1 9.00 0.01 . 1 . . . . . . . . 5208 1 243 . 1 1 41 41 GLU N N 15 120.53 0.14 . 1 . . . . . . . . 5208 1 244 . 1 1 41 41 GLU C C 13 175.88 0.06 . 1 . . . . . . . . 5208 1 245 . 1 1 41 41 GLU CA C 13 57.95 0.27 . 1 . . . . . . . . 5208 1 246 . 1 1 41 41 GLU CB C 13 29.01 0.27 . 1 . . . . . . . . 5208 1 247 . 1 1 42 42 SER H H 1 7.78 0.01 . 1 . . . . . . . . 5208 1 248 . 1 1 42 42 SER N N 15 113.05 0.14 . 1 . . . . . . . . 5208 1 249 . 1 1 42 42 SER C C 13 173.27 0.06 . 1 . . . . . . . . 5208 1 250 . 1 1 42 42 SER CA C 13 57.12 0.27 . 1 . . . . . . . . 5208 1 251 . 1 1 42 42 SER CB C 13 65.20 0.27 . 1 . . . . . . . . 5208 1 252 . 1 1 43 43 SER H H 1 8.96 0.01 . 1 . . . . . . . . 5208 1 253 . 1 1 43 43 SER N N 15 116.25 0.14 . 1 . . . . . . . . 5208 1 254 . 1 1 43 43 SER C C 13 173.37 0.06 . 1 . . . . . . . . 5208 1 255 . 1 1 43 43 SER CA C 13 58.07 0.27 . 1 . . . . . . . . 5208 1 256 . 1 1 43 43 SER CB C 13 67.64 0.27 . 1 . . . . . . . . 5208 1 257 . 1 1 44 44 GLY C C 13 173.32 0.06 . 1 . . . . . . . . 5208 1 258 . 1 1 44 44 GLY CA C 13 45.77 0.27 . 1 . . . . . . . . 5208 1 259 . 1 1 45 45 ASP H H 1 7.84 0.01 . 1 . . . . . . . . 5208 1 260 . 1 1 45 45 ASP N N 15 117.49 0.14 . 1 . . . . . . . . 5208 1 261 . 1 1 45 45 ASP C C 13 172.63 0.06 . 1 . . . . . . . . 5208 1 262 . 1 1 45 45 ASP CA C 13 52.57 0.27 . 1 . . . . . . . . 5208 1 263 . 1 1 45 45 ASP CB C 13 41.32 0.27 . 1 . . . . . . . . 5208 1 264 . 1 1 46 46 MET H H 1 8.11 0.01 . 1 . . . . . . . . 5208 1 265 . 1 1 46 46 MET N N 15 117.27 0.14 . 1 . . . . . . . . 5208 1 266 . 1 1 46 46 MET C C 13 172.84 0.06 . 1 . . . . . . . . 5208 1 267 . 1 1 46 46 MET CA C 13 54.75 0.27 . 1 . . . . . . . . 5208 1 268 . 1 1 46 46 MET CB C 13 33.91 0.27 . 1 . . . . . . . . 5208 1 269 . 1 1 47 47 ASP H H 1 9.32 0.01 . 1 . . . . . . . . 5208 1 270 . 1 1 47 47 ASP N N 15 129.13 0.14 . 1 . . . . . . . . 5208 1 271 . 1 1 47 47 ASP C C 13 174.53 0.06 . 1 . . . . . . . . 5208 1 272 . 1 1 47 47 ASP CA C 13 52.28 0.27 . 1 . . . . . . . . 5208 1 273 . 1 1 47 47 ASP CB C 13 41.28 0.27 . 1 . . . . . . . . 5208 1 274 . 1 1 48 48 VAL H H 1 9.00 0.01 . 1 . . . . . . . . 5208 1 275 . 1 1 48 48 VAL N N 15 123.64 0.14 . 1 . . . . . . . . 5208 1 276 . 1 1 48 48 VAL C C 13 174.07 0.06 . 1 . . . . . . . . 5208 1 277 . 1 1 48 48 VAL CA C 13 61.11 0.27 . 1 . . . . . . . . 5208 1 278 . 1 1 48 48 VAL CB C 13 33.06 0.27 . 1 . . . . . . . . 5208 1 279 . 1 1 48 48 VAL CG1 C 13 20.79 0.02 . 2 . . . . . . . . 5208 1 280 . 1 1 48 48 VAL HG11 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 281 . 1 1 48 48 VAL HG12 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 282 . 1 1 48 48 VAL HG13 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 283 . 1 1 48 48 VAL CG2 C 13 21.68 0.02 . 2 . . . . . . . . 5208 1 284 . 1 1 48 48 VAL HG21 H 1 0.95 0.01 . 2 . . . . . . . . 5208 1 285 . 1 1 48 48 VAL HG22 H 1 0.95 0.01 . 2 . . . . . . . . 5208 1 286 . 1 1 48 48 VAL HG23 H 1 0.95 0.01 . 2 . . . . . . . . 5208 1 287 . 1 1 49 49 LEU H H 1 8.96 0.01 . 1 . . . . . . . . 5208 1 288 . 1 1 49 49 LEU N N 15 129.10 0.14 . 1 . . . . . . . . 5208 1 289 . 1 1 49 49 LEU C C 13 176.06 0.06 . 1 . . . . . . . . 5208 1 290 . 1 1 49 49 LEU CA C 13 54.55 0.27 . 1 . . . . . . . . 5208 1 291 . 1 1 49 49 LEU CB C 13 41.70 0.27 . 1 . . . . . . . . 5208 1 292 . 1 1 49 49 LEU CG C 13 29.98 0.11 . 1 . . . . . . . . 5208 1 293 . 1 1 49 49 LEU CD1 C 13 24.99 0.02 . 2 . . . . . . . . 5208 1 294 . 1 1 49 49 LEU HD11 H 1 0.74 0.01 . 2 . . . . . . . . 5208 1 295 . 1 1 49 49 LEU HD12 H 1 0.74 0.01 . 2 . . . . . . . . 5208 1 296 . 1 1 49 49 LEU HD13 H 1 0.74 0.01 . 2 . . . . . . . . 5208 1 297 . 1 1 49 49 LEU CD2 C 13 23.55 0.02 . 2 . . . . . . . . 5208 1 298 . 1 1 49 49 LEU HD21 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 299 . 1 1 49 49 LEU HD22 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 300 . 1 1 49 49 LEU HD23 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 301 . 1 1 50 50 LEU H H 1 10.11 0.01 . 1 . . . . . . . . 5208 1 302 . 1 1 50 50 LEU N N 15 133.32 0.14 . 1 . . . . . . . . 5208 1 303 . 1 1 50 50 LEU C C 13 174.00 0.06 . 1 . . . . . . . . 5208 1 304 . 1 1 50 50 LEU CA C 13 53.03 0.27 . 1 . . . . . . . . 5208 1 305 . 1 1 50 50 LEU CB C 13 47.30 0.27 . 1 . . . . . . . . 5208 1 306 . 1 1 50 50 LEU CG C 13 26.81 0.11 . 1 . . . . . . . . 5208 1 307 . 1 1 50 50 LEU CD1 C 13 25.92 0.02 . 2 . . . . . . . . 5208 1 308 . 1 1 50 50 LEU HD11 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 309 . 1 1 50 50 LEU HD12 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 310 . 1 1 50 50 LEU HD13 H 1 0.7 0.01 . 2 . . . . . . . . 5208 1 311 . 1 1 50 50 LEU CD2 C 13 23.22 0.02 . 2 . . . . . . . . 5208 1 312 . 1 1 50 50 LEU HD21 H 1 0.67 0.01 . 2 . . . . . . . . 5208 1 313 . 1 1 50 50 LEU HD22 H 1 0.67 0.01 . 2 . . . . . . . . 5208 1 314 . 1 1 50 50 LEU HD23 H 1 0.67 0.01 . 2 . . . . . . . . 5208 1 315 . 1 1 51 51 THR H H 1 9.02 0.01 . 1 . . . . . . . . 5208 1 316 . 1 1 51 51 THR N N 15 117.94 0.14 . 1 . . . . . . . . 5208 1 317 . 1 1 51 51 THR C C 13 171.65 0.06 . 1 . . . . . . . . 5208 1 318 . 1 1 51 51 THR CA C 13 60.96 0.27 . 1 . . . . . . . . 5208 1 319 . 1 1 51 51 THR CB C 13 68.68 0.27 . 1 . . . . . . . . 5208 1 320 . 1 1 52 52 HIS H H 1 8.76 0.01 . 1 . . . . . . . . 5208 1 321 . 1 1 52 52 HIS N N 15 122.75 0.14 . 1 . . . . . . . . 5208 1 322 . 1 1 52 52 HIS C C 13 173.62 0.06 . 1 . . . . . . . . 5208 1 323 . 1 1 52 52 HIS CA C 13 54.90 0.27 . 1 . . . . . . . . 5208 1 324 . 1 1 52 52 HIS CB C 13 35.99 0.27 . 1 . . . . . . . . 5208 1 325 . 1 1 53 53 PRO C C 13 176.93 0.06 . 1 . . . . . . . . 5208 1 326 . 1 1 53 53 PRO CA C 13 64.15 0.27 . 1 . . . . . . . . 5208 1 327 . 1 1 54 54 ASN H H 1 11.01 0.01 . 1 . . . . . . . . 5208 1 328 . 1 1 54 54 ASN N N 15 118.12 0.14 . 1 . . . . . . . . 5208 1 329 . 1 1 54 54 ASN C C 13 175.18 0.06 . 1 . . . . . . . . 5208 1 330 . 1 1 54 54 ASN CA C 13 53.40 0.27 . 1 . . . . . . . . 5208 1 331 . 1 1 54 54 ASN CB C 13 37.54 0.27 . 1 . . . . . . . . 5208 1 332 . 1 1 55 55 PHE H H 1 8.49 0.01 . 1 . . . . . . . . 5208 1 333 . 1 1 55 55 PHE N N 15 122.58 0.14 . 1 . . . . . . . . 5208 1 334 . 1 1 55 55 PHE C C 13 172.65 0.06 . 1 . . . . . . . . 5208 1 335 . 1 1 55 55 PHE CA C 13 54.57 0.27 . 1 . . . . . . . . 5208 1 336 . 1 1 55 55 PHE CB C 13 39.19 0.27 . 1 . . . . . . . . 5208 1 337 . 1 1 56 56 THR H H 1 8.32 0.01 . 1 . . . . . . . . 5208 1 338 . 1 1 56 56 THR N N 15 116.12 0.14 . 1 . . . . . . . . 5208 1 339 . 1 1 56 56 THR C C 13 175.59 0.06 . 1 . . . . . . . . 5208 1 340 . 1 1 56 56 THR CA C 13 59.92 0.27 . 1 . . . . . . . . 5208 1 341 . 1 1 56 56 THR CB C 13 71.42 0.27 . 1 . . . . . . . . 5208 1 342 . 1 1 57 57 SER C C 13 175.10 0.06 . 1 . . . . . . . . 5208 1 343 . 1 1 57 57 SER CA C 13 60.84 0.27 . 1 . . . . . . . . 5208 1 344 . 1 1 58 58 GLU H H 1 8.08 0.01 . 1 . . . . . . . . 5208 1 345 . 1 1 58 58 GLU N N 15 119.25 0.14 . 1 . . . . . . . . 5208 1 346 . 1 1 58 58 GLU C C 13 176.60 0.06 . 1 . . . . . . . . 5208 1 347 . 1 1 58 58 GLU CA C 13 56.19 0.27 . 1 . . . . . . . . 5208 1 348 . 1 1 58 58 GLU CB C 13 29.43 0.27 . 1 . . . . . . . . 5208 1 349 . 1 1 59 59 SER H H 1 7.67 0.01 . 1 . . . . . . . . 5208 1 350 . 1 1 59 59 SER N N 15 116.09 0.14 . 1 . . . . . . . . 5208 1 351 . 1 1 59 59 SER CA C 13 57.91 0.27 . 1 . . . . . . . . 5208 1 352 . 1 1 59 59 SER CB C 13 64.01 0.27 . 1 . . . . . . . . 5208 1 353 . 1 1 60 60 SER C C 13 174.65 0.06 . 1 . . . . . . . . 5208 1 354 . 1 1 60 60 SER CA C 13 58.33 0.27 . 1 . . . . . . . . 5208 1 355 . 1 1 60 60 SER CB C 13 62.93 0.27 . 1 . . . . . . . . 5208 1 356 . 1 1 61 61 LYS H H 1 8.45 0.01 . 1 . . . . . . . . 5208 1 357 . 1 1 61 61 LYS N N 15 121.62 0.14 . 1 . . . . . . . . 5208 1 358 . 1 1 61 61 LYS C C 13 176.25 0.06 . 1 . . . . . . . . 5208 1 359 . 1 1 61 61 LYS CA C 13 56.61 0.27 . 1 . . . . . . . . 5208 1 360 . 1 1 61 61 LYS CB C 13 31.86 0.27 . 1 . . . . . . . . 5208 1 361 . 1 1 62 62 GLN H H 1 7.95 0.01 . 1 . . . . . . . . 5208 1 362 . 1 1 62 62 GLN N N 15 120.74 0.14 . 1 . . . . . . . . 5208 1 363 . 1 1 62 62 GLN C C 13 173.25 0.06 . 1 . . . . . . . . 5208 1 364 . 1 1 62 62 GLN CA C 13 52.82 0.27 . 1 . . . . . . . . 5208 1 365 . 1 1 62 62 GLN CB C 13 29.28 0.27 . 1 . . . . . . . . 5208 1 366 . 1 1 64 64 LYS C C 13 177.92 0.06 . 1 . . . . . . . . 5208 1 367 . 1 1 64 64 LYS CA C 13 58.10 0.27 . 1 . . . . . . . . 5208 1 368 . 1 1 64 64 LYS CB C 13 30.90 0.27 . 1 . . . . . . . . 5208 1 369 . 1 1 65 65 LEU H H 1 7.55 0.01 . 1 . . . . . . . . 5208 1 370 . 1 1 65 65 LEU N N 15 116.21 0.14 . 1 . . . . . . . . 5208 1 371 . 1 1 65 65 LEU C C 13 180.41 0.06 . 1 . . . . . . . . 5208 1 372 . 1 1 65 65 LEU CA C 13 56.76 0.27 . 1 . . . . . . . . 5208 1 373 . 1 1 65 65 LEU CB C 13 42.36 0.27 . 1 . . . . . . . . 5208 1 374 . 1 1 65 65 LEU CG C 13 26.22 0.11 . 1 . . . . . . . . 5208 1 375 . 1 1 65 65 LEU CD1 C 13 26.67 0.02 . 2 . . . . . . . . 5208 1 376 . 1 1 65 65 LEU HD11 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 377 . 1 1 65 65 LEU HD12 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 378 . 1 1 65 65 LEU HD13 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 379 . 1 1 65 65 LEU CD2 C 13 21.31 0.02 . 2 . . . . . . . . 5208 1 380 . 1 1 65 65 LEU HD21 H 1 0.3 0.01 . 2 . . . . . . . . 5208 1 381 . 1 1 65 65 LEU HD22 H 1 0.3 0.01 . 2 . . . . . . . . 5208 1 382 . 1 1 65 65 LEU HD23 H 1 0.3 0.01 . 2 . . . . . . . . 5208 1 383 . 1 1 66 66 LEU H H 1 7.71 0.01 . 1 . . . . . . . . 5208 1 384 . 1 1 66 66 LEU N N 15 117.98 0.14 . 1 . . . . . . . . 5208 1 385 . 1 1 66 66 LEU C C 13 177.89 0.06 . 1 . . . . . . . . 5208 1 386 . 1 1 66 66 LEU CA C 13 55.95 0.27 . 1 . . . . . . . . 5208 1 387 . 1 1 66 66 LEU CB C 13 41.12 0.27 . 1 . . . . . . . . 5208 1 388 . 1 1 67 67 HIS H H 1 8.39 0.01 . 1 . . . . . . . . 5208 1 389 . 1 1 67 67 HIS N N 15 119.67 0.14 . 1 . . . . . . . . 5208 1 390 . 1 1 67 67 HIS C C 13 177.23 0.06 . 1 . . . . . . . . 5208 1 391 . 1 1 67 67 HIS CA C 13 58.91 0.27 . 1 . . . . . . . . 5208 1 392 . 1 1 67 67 HIS CB C 13 30.40 0.27 . 1 . . . . . . . . 5208 1 393 . 1 1 68 68 ARG H H 1 8.48 0.01 . 1 . . . . . . . . 5208 1 394 . 1 1 68 68 ARG N N 15 115.51 0.14 . 1 . . . . . . . . 5208 1 395 . 1 1 68 68 ARG C C 13 179.16 0.06 . 1 . . . . . . . . 5208 1 396 . 1 1 68 68 ARG CA C 13 58.92 0.27 . 1 . . . . . . . . 5208 1 397 . 1 1 68 68 ARG CB C 13 29.78 0.27 . 1 . . . . . . . . 5208 1 398 . 1 1 69 69 VAL H H 1 6.67 0.01 . 1 . . . . . . . . 5208 1 399 . 1 1 69 69 VAL N N 15 118.34 0.14 . 1 . . . . . . . . 5208 1 400 . 1 1 69 69 VAL C C 13 176.75 0.06 . 1 . . . . . . . . 5208 1 401 . 1 1 69 69 VAL CA C 13 65.75 0.27 . 1 . . . . . . . . 5208 1 402 . 1 1 69 69 VAL CB C 13 31.13 0.27 . 1 . . . . . . . . 5208 1 403 . 1 1 69 69 VAL CG1 C 13 20.56 0.02 . 2 . . . . . . . . 5208 1 404 . 1 1 69 69 VAL HG11 H 1 0.52 0.01 . 2 . . . . . . . . 5208 1 405 . 1 1 69 69 VAL HG12 H 1 0.52 0.01 . 2 . . . . . . . . 5208 1 406 . 1 1 69 69 VAL HG13 H 1 0.52 0.01 . 2 . . . . . . . . 5208 1 407 . 1 1 69 69 VAL CG2 C 13 22.71 0.02 . 2 . . . . . . . . 5208 1 408 . 1 1 69 69 VAL HG21 H 1 0.6 0.01 . 2 . . . . . . . . 5208 1 409 . 1 1 69 69 VAL HG22 H 1 0.6 0.01 . 2 . . . . . . . . 5208 1 410 . 1 1 69 69 VAL HG23 H 1 0.6 0.01 . 2 . . . . . . . . 5208 1 411 . 1 1 70 70 VAL H H 1 7.51 0.01 . 1 . . . . . . . . 5208 1 412 . 1 1 70 70 VAL N N 15 119.21 0.14 . 1 . . . . . . . . 5208 1 413 . 1 1 70 70 VAL C C 13 177.36 0.06 . 1 . . . . . . . . 5208 1 414 . 1 1 70 70 VAL CA C 13 66.34 0.27 . 1 . . . . . . . . 5208 1 415 . 1 1 70 70 VAL CB C 13 30.94 0.27 . 1 . . . . . . . . 5208 1 416 . 1 1 70 70 VAL CG1 C 13 20.37 0.02 . 2 . . . . . . . . 5208 1 417 . 1 1 70 70 VAL HG11 H 1 0.14 0.01 . 2 . . . . . . . . 5208 1 418 . 1 1 70 70 VAL HG12 H 1 0.14 0.01 . 2 . . . . . . . . 5208 1 419 . 1 1 70 70 VAL HG13 H 1 0.14 0.01 . 2 . . . . . . . . 5208 1 420 . 1 1 70 70 VAL CG2 C 13 22.05 0.02 . 2 . . . . . . . . 5208 1 421 . 1 1 70 70 VAL HG21 H 1 0.29 0.01 . 2 . . . . . . . . 5208 1 422 . 1 1 70 70 VAL HG22 H 1 0.29 0.01 . 2 . . . . . . . . 5208 1 423 . 1 1 70 70 VAL HG23 H 1 0.29 0.01 . 2 . . . . . . . . 5208 1 424 . 1 1 71 71 GLU H H 1 8.50 0.01 . 1 . . . . . . . . 5208 1 425 . 1 1 71 71 GLU N N 15 116.80 0.14 . 1 . . . . . . . . 5208 1 426 . 1 1 71 71 GLU C C 13 179.72 0.06 . 1 . . . . . . . . 5208 1 427 . 1 1 71 71 GLU CA C 13 58.34 0.27 . 1 . . . . . . . . 5208 1 428 . 1 1 71 71 GLU CB C 13 28.51 0.27 . 1 . . . . . . . . 5208 1 429 . 1 1 72 72 GLN H H 1 7.58 0.01 . 1 . . . . . . . . 5208 1 430 . 1 1 72 72 GLN N N 15 120.24 0.14 . 1 . . . . . . . . 5208 1 431 . 1 1 72 72 GLN C C 13 177.75 0.06 . 1 . . . . . . . . 5208 1 432 . 1 1 72 72 GLN CA C 13 57.59 0.27 . 1 . . . . . . . . 5208 1 433 . 1 1 72 72 GLN CB C 13 26.92 0.27 . 1 . . . . . . . . 5208 1 434 . 1 1 73 73 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 5208 1 435 . 1 1 73 73 LEU N N 15 116.64 0.14 . 1 . . . . . . . . 5208 1 436 . 1 1 73 73 LEU C C 13 180.36 0.06 . 1 . . . . . . . . 5208 1 437 . 1 1 73 73 LEU CA C 13 56.52 0.27 . 1 . . . . . . . . 5208 1 438 . 1 1 73 73 LEU CB C 13 40.20 0.27 . 1 . . . . . . . . 5208 1 439 . 1 1 74 74 GLN H H 1 8.46 0.01 . 1 . . . . . . . . 5208 1 440 . 1 1 74 74 GLN N N 15 121.23 0.14 . 1 . . . . . . . . 5208 1 441 . 1 1 74 74 GLN C C 13 179.99 0.06 . 1 . . . . . . . . 5208 1 442 . 1 1 74 74 GLN CA C 13 58.47 0.27 . 1 . . . . . . . . 5208 1 443 . 1 1 74 74 GLN CB C 13 28.12 0.27 . 1 . . . . . . . . 5208 1 444 . 1 1 75 75 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 5208 1 445 . 1 1 75 75 LYS N N 15 125.20 0.14 . 1 . . . . . . . . 5208 1 446 . 1 1 75 75 LYS C C 13 179.23 0.06 . 1 . . . . . . . . 5208 1 447 . 1 1 75 75 LYS CA C 13 59.64 0.27 . 1 . . . . . . . . 5208 1 448 . 1 1 75 75 LYS CB C 13 31.09 0.27 . 1 . . . . . . . . 5208 1 449 . 1 1 76 76 VAL H H 1 7.44 0.01 . 1 . . . . . . . . 5208 1 450 . 1 1 76 76 VAL N N 15 108.08 0.14 . 1 . . . . . . . . 5208 1 451 . 1 1 76 76 VAL C C 13 175.04 0.06 . 1 . . . . . . . . 5208 1 452 . 1 1 76 76 VAL CA C 13 60.84 0.27 . 1 . . . . . . . . 5208 1 453 . 1 1 76 76 VAL CB C 13 29.82 0.27 . 1 . . . . . . . . 5208 1 454 . 1 1 76 76 VAL CG1 C 13 18.51 0.02 . 2 . . . . . . . . 5208 1 455 . 1 1 76 76 VAL HG11 H 1 0.99 0.01 . 2 . . . . . . . . 5208 1 456 . 1 1 76 76 VAL HG12 H 1 0.99 0.01 . 2 . . . . . . . . 5208 1 457 . 1 1 76 76 VAL HG13 H 1 0.99 0.01 . 2 . . . . . . . . 5208 1 458 . 1 1 76 76 VAL CG2 C 13 20.75 0.02 . 2 . . . . . . . . 5208 1 459 . 1 1 76 76 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 5208 1 460 . 1 1 76 76 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 5208 1 461 . 1 1 76 76 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 5208 1 462 . 1 1 77 77 ARG H H 1 7.82 0.01 . 1 . . . . . . . . 5208 1 463 . 1 1 77 77 ARG N N 15 114.73 0.14 . 1 . . . . . . . . 5208 1 464 . 1 1 77 77 ARG C C 13 174.15 0.06 . 1 . . . . . . . . 5208 1 465 . 1 1 77 77 ARG CA C 13 56.86 0.27 . 1 . . . . . . . . 5208 1 466 . 1 1 77 77 ARG CB C 13 25.30 0.27 . 1 . . . . . . . . 5208 1 467 . 1 1 78 78 PHE H H 1 7.89 0.01 . 1 . . . . . . . . 5208 1 468 . 1 1 78 78 PHE N N 15 117.13 0.14 . 1 . . . . . . . . 5208 1 469 . 1 1 78 78 PHE C C 13 175.87 0.06 . 1 . . . . . . . . 5208 1 470 . 1 1 78 78 PHE CA C 13 58.63 0.27 . 1 . . . . . . . . 5208 1 471 . 1 1 78 78 PHE CB C 13 39.77 0.27 . 1 . . . . . . . . 5208 1 472 . 1 1 79 79 ILE H H 1 6.74 0.01 . 1 . . . . . . . . 5208 1 473 . 1 1 79 79 ILE N N 15 114.68 0.14 . 1 . . . . . . . . 5208 1 474 . 1 1 79 79 ILE C C 13 176.31 0.06 . 1 . . . . . . . . 5208 1 475 . 1 1 79 79 ILE CA C 13 60.28 0.27 . 1 . . . . . . . . 5208 1 476 . 1 1 79 79 ILE CB C 13 37.81 0.27 . 1 . . . . . . . . 5208 1 477 . 1 1 79 79 ILE CG1 C 13 28.07 0.02 . 1 . . . . . . . . 5208 1 478 . 1 1 79 79 ILE CD1 C 13 14.06 0.02 . 1 . . . . . . . . 5208 1 479 . 1 1 79 79 ILE HD11 H 1 0.63 0.01 . 1 . . . . . . . . 5208 1 480 . 1 1 79 79 ILE HD12 H 1 0.63 0.01 . 1 . . . . . . . . 5208 1 481 . 1 1 79 79 ILE HD13 H 1 0.63 0.01 . 1 . . . . . . . . 5208 1 482 . 1 1 80 80 THR H H 1 9.01 0.01 . 1 . . . . . . . . 5208 1 483 . 1 1 80 80 THR N N 15 119.66 0.14 . 1 . . . . . . . . 5208 1 484 . 1 1 80 80 THR C C 13 174.92 0.06 . 1 . . . . . . . . 5208 1 485 . 1 1 80 80 THR CA C 13 61.82 0.27 . 1 . . . . . . . . 5208 1 486 . 1 1 80 80 THR CB C 13 68.18 0.27 . 1 . . . . . . . . 5208 1 487 . 1 1 81 81 ASP H H 1 7.66 0.01 . 1 . . . . . . . . 5208 1 488 . 1 1 81 81 ASP N N 15 119.05 0.14 . 1 . . . . . . . . 5208 1 489 . 1 1 81 81 ASP C C 13 174.72 0.06 . 1 . . . . . . . . 5208 1 490 . 1 1 81 81 ASP CA C 13 53.69 0.27 . 1 . . . . . . . . 5208 1 491 . 1 1 81 81 ASP CB C 13 43.63 0.27 . 1 . . . . . . . . 5208 1 492 . 1 1 82 82 THR H H 1 8.79 0.01 . 1 . . . . . . . . 5208 1 493 . 1 1 82 82 THR N N 15 117.92 0.14 . 1 . . . . . . . . 5208 1 494 . 1 1 82 82 THR C C 13 173.25 0.06 . 1 . . . . . . . . 5208 1 495 . 1 1 82 82 THR CA C 13 62.44 0.27 . 1 . . . . . . . . 5208 1 496 . 1 1 82 82 THR CB C 13 70.61 0.27 . 1 . . . . . . . . 5208 1 497 . 1 1 83 83 LEU H H 1 8.81 0.01 . 1 . . . . . . . . 5208 1 498 . 1 1 83 83 LEU N N 15 126.68 0.14 . 1 . . . . . . . . 5208 1 499 . 1 1 83 83 LEU C C 13 177.12 0.06 . 1 . . . . . . . . 5208 1 500 . 1 1 83 83 LEU CA C 13 55.67 0.27 . 1 . . . . . . . . 5208 1 501 . 1 1 83 83 LEU CB C 13 40.85 0.27 . 1 . . . . . . . . 5208 1 502 . 1 1 83 83 LEU CG C 13 27.41 0.11 . 1 . . . . . . . . 5208 1 503 . 1 1 83 83 LEU CD1 C 13 24.66 0.02 . 2 . . . . . . . . 5208 1 504 . 1 1 83 83 LEU HD11 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 505 . 1 1 83 83 LEU HD12 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 506 . 1 1 83 83 LEU HD13 H 1 0.63 0.01 . 2 . . . . . . . . 5208 1 507 . 1 1 83 83 LEU CD2 C 13 22.47 0.02 . 2 . . . . . . . . 5208 1 508 . 1 1 83 83 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 5208 1 509 . 1 1 83 83 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 5208 1 510 . 1 1 83 83 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 5208 1 511 . 1 1 84 84 SER H H 1 7.95 0.01 . 1 . . . . . . . . 5208 1 512 . 1 1 84 84 SER N N 15 111.67 0.14 . 1 . . . . . . . . 5208 1 513 . 1 1 84 84 SER C C 13 172.14 0.06 . 1 . . . . . . . . 5208 1 514 . 1 1 84 84 SER CA C 13 57.49 0.27 . 1 . . . . . . . . 5208 1 515 . 1 1 84 84 SER CB C 13 63.62 0.27 . 1 . . . . . . . . 5208 1 516 . 1 1 85 85 LYS H H 1 8.95 0.01 . 1 . . . . . . . . 5208 1 517 . 1 1 85 85 LYS N N 15 128.26 0.14 . 1 . . . . . . . . 5208 1 518 . 1 1 85 85 LYS C C 13 174.55 0.06 . 1 . . . . . . . . 5208 1 519 . 1 1 85 85 LYS CA C 13 55.53 0.27 . 1 . . . . . . . . 5208 1 520 . 1 1 85 85 LYS CB C 13 33.37 0.27 . 1 . . . . . . . . 5208 1 521 . 1 1 86 86 GLY H H 1 8.11 0.01 . 1 . . . . . . . . 5208 1 522 . 1 1 86 86 GLY N N 15 113.74 0.14 . 1 . . . . . . . . 5208 1 523 . 1 1 86 86 GLY C C 13 173.52 0.06 . 1 . . . . . . . . 5208 1 524 . 1 1 86 86 GLY CA C 13 43.85 0.27 . 1 . . . . . . . . 5208 1 525 . 1 1 87 87 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 5208 1 526 . 1 1 87 87 GLU N N 15 118.79 0.14 . 1 . . . . . . . . 5208 1 527 . 1 1 87 87 GLU C C 13 177.17 0.06 . 1 . . . . . . . . 5208 1 528 . 1 1 87 87 GLU CA C 13 59.06 0.27 . 1 . . . . . . . . 5208 1 529 . 1 1 87 87 GLU CB C 13 29.84 0.27 . 1 . . . . . . . . 5208 1 530 . 1 1 88 88 THR H H 1 8.30 0.01 . 1 . . . . . . . . 5208 1 531 . 1 1 88 88 THR N N 15 101.65 0.14 . 1 . . . . . . . . 5208 1 532 . 1 1 88 88 THR C C 13 174.05 0.06 . 1 . . . . . . . . 5208 1 533 . 1 1 88 88 THR CA C 13 60.62 0.27 . 1 . . . . . . . . 5208 1 534 . 1 1 88 88 THR CB C 13 69.84 0.27 . 1 . . . . . . . . 5208 1 535 . 1 1 89 89 LYS H H 1 7.26 0.01 . 1 . . . . . . . . 5208 1 536 . 1 1 89 89 LYS N N 15 122.93 0.14 . 1 . . . . . . . . 5208 1 537 . 1 1 89 89 LYS C C 13 173.81 0.06 . 1 . . . . . . . . 5208 1 538 . 1 1 89 89 LYS CA C 13 55.75 0.27 . 1 . . . . . . . . 5208 1 539 . 1 1 89 89 LYS CB C 13 34.76 0.27 . 1 . . . . . . . . 5208 1 540 . 1 1 90 90 PHE H H 1 9.56 0.01 . 1 . . . . . . . . 5208 1 541 . 1 1 90 90 PHE N N 15 128.55 0.14 . 1 . . . . . . . . 5208 1 542 . 1 1 90 90 PHE C C 13 173.21 0.06 . 1 . . . . . . . . 5208 1 543 . 1 1 90 90 PHE CA C 13 55.76 0.27 . 1 . . . . . . . . 5208 1 544 . 1 1 90 90 PHE CB C 13 42.13 0.27 . 1 . . . . . . . . 5208 1 545 . 1 1 91 91 MET H H 1 8.30 0.01 . 1 . . . . . . . . 5208 1 546 . 1 1 91 91 MET N N 15 124.91 0.14 . 1 . . . . . . . . 5208 1 547 . 1 1 91 91 MET C C 13 175.09 0.06 . 1 . . . . . . . . 5208 1 548 . 1 1 91 91 MET CA C 13 53.73 0.27 . 1 . . . . . . . . 5208 1 549 . 1 1 91 91 MET CB C 13 35.53 0.27 . 1 . . . . . . . . 5208 1 550 . 1 1 92 92 GLY H H 1 9.16 0.01 . 1 . . . . . . . . 5208 1 551 . 1 1 92 92 GLY N N 15 111.19 0.14 . 1 . . . . . . . . 5208 1 552 . 1 1 92 92 GLY C C 13 170.75 0.06 . 1 . . . . . . . . 5208 1 553 . 1 1 92 92 GLY CA C 13 45.76 0.27 . 1 . . . . . . . . 5208 1 554 . 1 1 93 93 VAL H H 1 8.53 0.01 . 1 . . . . . . . . 5208 1 555 . 1 1 93 93 VAL N N 15 123.85 0.14 . 1 . . . . . . . . 5208 1 556 . 1 1 93 93 VAL C C 13 174.13 0.06 . 1 . . . . . . . . 5208 1 557 . 1 1 93 93 VAL CA C 13 59.92 0.27 . 1 . . . . . . . . 5208 1 558 . 1 1 93 93 VAL CB C 13 34.80 0.27 . 1 . . . . . . . . 5208 1 559 . 1 1 93 93 VAL CG1 C 13 22.66 0.02 . 2 . . . . . . . . 5208 1 560 . 1 1 93 93 VAL HG11 H 1 1 0.01 . 2 . . . . . . . . 5208 1 561 . 1 1 93 93 VAL HG12 H 1 1 0.01 . 2 . . . . . . . . 5208 1 562 . 1 1 93 93 VAL HG13 H 1 1 0.01 . 2 . . . . . . . . 5208 1 563 . 1 1 93 93 VAL CG2 C 13 20.68 0.02 . 2 . . . . . . . . 5208 1 564 . 1 1 93 93 VAL HG21 H 1 0.73 0.01 . 2 . . . . . . . . 5208 1 565 . 1 1 93 93 VAL HG22 H 1 0.73 0.01 . 2 . . . . . . . . 5208 1 566 . 1 1 93 93 VAL HG23 H 1 0.73 0.01 . 2 . . . . . . . . 5208 1 567 . 1 1 94 94 CYS H H 1 9.74 0.01 . 1 . . . . . . . . 5208 1 568 . 1 1 94 94 CYS N N 15 122.16 0.14 . 1 . . . . . . . . 5208 1 569 . 1 1 94 94 CYS C C 13 171.60 0.06 . 1 . . . . . . . . 5208 1 570 . 1 1 94 94 CYS CA C 13 54.13 0.27 . 1 . . . . . . . . 5208 1 571 . 1 1 94 94 CYS CB C 13 32.67 0.27 . 1 . . . . . . . . 5208 1 572 . 1 1 95 95 GLN H H 1 8.15 0.01 . 1 . . . . . . . . 5208 1 573 . 1 1 95 95 GLN N N 15 118.40 0.14 . 1 . . . . . . . . 5208 1 574 . 1 1 95 95 GLN C C 13 174.44 0.06 . 1 . . . . . . . . 5208 1 575 . 1 1 95 95 GLN CA C 13 54.25 0.27 . 1 . . . . . . . . 5208 1 576 . 1 1 95 95 GLN CB C 13 32.56 0.27 . 1 . . . . . . . . 5208 1 577 . 1 1 96 96 LEU H H 1 9.10 0.01 . 1 . . . . . . . . 5208 1 578 . 1 1 96 96 LEU N N 15 128.06 0.14 . 1 . . . . . . . . 5208 1 579 . 1 1 96 96 LEU C C 13 173.98 0.06 . 1 . . . . . . . . 5208 1 580 . 1 1 96 96 LEU CA C 13 52.82 0.27 . 1 . . . . . . . . 5208 1 581 . 1 1 96 96 LEU CB C 13 40.62 0.27 . 1 . . . . . . . . 5208 1 582 . 1 1 96 96 LEU CG C 13 25.91 0.11 . 1 . . . . . . . . 5208 1 583 . 1 1 96 96 LEU CD1 C 13 24.15 0.02 . 2 . . . . . . . . 5208 1 584 . 1 1 96 96 LEU HD11 H 1 0.62 0.01 . 2 . . . . . . . . 5208 1 585 . 1 1 96 96 LEU HD12 H 1 0.62 0.01 . 2 . . . . . . . . 5208 1 586 . 1 1 96 96 LEU HD13 H 1 0.62 0.01 . 2 . . . . . . . . 5208 1 587 . 1 1 96 96 LEU CD2 C 13 24.99 0.02 . 2 . . . . . . . . 5208 1 588 . 1 1 96 96 LEU HD21 H 1 0.46 0.01 . 2 . . . . . . . . 5208 1 589 . 1 1 96 96 LEU HD22 H 1 0.46 0.01 . 2 . . . . . . . . 5208 1 590 . 1 1 96 96 LEU HD23 H 1 0.46 0.01 . 2 . . . . . . . . 5208 1 591 . 1 1 97 97 PRO C C 13 176.60 0.06 . 1 . . . . . . . . 5208 1 592 . 1 1 97 97 PRO CA C 13 62.26 0.27 . 1 . . . . . . . . 5208 1 593 . 1 1 97 97 PRO CB C 13 31.36 0.27 . 1 . . . . . . . . 5208 1 594 . 1 1 98 98 SER H H 1 8.40 0.01 . 1 . . . . . . . . 5208 1 595 . 1 1 98 98 SER N N 15 114.25 0.14 . 1 . . . . . . . . 5208 1 596 . 1 1 98 98 SER C C 13 175.18 0.06 . 1 . . . . . . . . 5208 1 597 . 1 1 98 98 SER CA C 13 56.63 0.27 . 1 . . . . . . . . 5208 1 598 . 1 1 98 98 SER CB C 13 64.39 0.27 . 1 . . . . . . . . 5208 1 599 . 1 1 99 99 GLU H H 1 8.93 0.01 . 1 . . . . . . . . 5208 1 600 . 1 1 99 99 GLU N N 15 123.69 0.14 . 1 . . . . . . . . 5208 1 601 . 1 1 99 99 GLU C C 13 176.50 0.06 . 1 . . . . . . . . 5208 1 602 . 1 1 99 99 GLU CA C 13 56.34 0.27 . 1 . . . . . . . . 5208 1 603 . 1 1 99 99 GLU CB C 13 29.59 0.27 . 1 . . . . . . . . 5208 1 604 . 1 1 100 100 ASN H H 1 8.45 0.01 . 1 . . . . . . . . 5208 1 605 . 1 1 100 100 ASN N N 15 117.37 0.14 . 1 . . . . . . . . 5208 1 606 . 1 1 100 100 ASN C C 13 174.87 0.06 . 1 . . . . . . . . 5208 1 607 . 1 1 100 100 ASN CA C 13 52.95 0.27 . 1 . . . . . . . . 5208 1 608 . 1 1 100 100 ASN CB C 13 38.81 0.27 . 1 . . . . . . . . 5208 1 609 . 1 1 101 101 ASP H H 1 8.40 0.01 . 1 . . . . . . . . 5208 1 610 . 1 1 101 101 ASP N N 15 118.92 0.14 . 1 . . . . . . . . 5208 1 611 . 1 1 101 101 ASP C C 13 176.26 0.06 . 1 . . . . . . . . 5208 1 612 . 1 1 101 101 ASP CA C 13 55.02 0.27 . 1 . . . . . . . . 5208 1 613 . 1 1 101 101 ASP CB C 13 40.20 0.27 . 1 . . . . . . . . 5208 1 614 . 1 1 102 102 GLU H H 1 8.12 0.01 . 1 . . . . . . . . 5208 1 615 . 1 1 102 102 GLU N N 15 118.49 0.14 . 1 . . . . . . . . 5208 1 616 . 1 1 102 102 GLU C C 13 175.98 0.06 . 1 . . . . . . . . 5208 1 617 . 1 1 102 102 GLU CA C 13 56.21 0.27 . 1 . . . . . . . . 5208 1 618 . 1 1 102 102 GLU CB C 13 29.59 0.27 . 1 . . . . . . . . 5208 1 619 . 1 1 103 103 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 5208 1 620 . 1 1 103 103 ASN N N 15 118.91 0.14 . 1 . . . . . . . . 5208 1 621 . 1 1 103 103 ASN C C 13 174.46 0.06 . 1 . . . . . . . . 5208 1 622 . 1 1 103 103 ASN CA C 13 52.58 0.27 . 1 . . . . . . . . 5208 1 623 . 1 1 103 103 ASN CB C 13 39.08 0.27 . 1 . . . . . . . . 5208 1 624 . 1 1 104 104 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 5208 1 625 . 1 1 104 104 GLU N N 15 122.03 0.14 . 1 . . . . . . . . 5208 1 626 . 1 1 104 104 GLU C C 13 176.68 0.06 . 1 . . . . . . . . 5208 1 627 . 1 1 104 104 GLU CA C 13 55.81 0.27 . 1 . . . . . . . . 5208 1 628 . 1 1 104 104 GLU CB C 13 29.89 0.27 . 1 . . . . . . . . 5208 1 629 . 1 1 105 105 TYR H H 1 8.98 0.01 . 1 . . . . . . . . 5208 1 630 . 1 1 105 105 TYR N N 15 123.66 0.14 . 1 . . . . . . . . 5208 1 631 . 1 1 105 105 TYR C C 13 174.40 0.06 . 1 . . . . . . . . 5208 1 632 . 1 1 105 105 TYR CA C 13 57.14 0.27 . 1 . . . . . . . . 5208 1 633 . 1 1 105 105 TYR CB C 13 37.46 0.27 . 1 . . . . . . . . 5208 1 634 . 1 1 106 106 PRO C C 13 175.96 0.06 . 1 . . . . . . . . 5208 1 635 . 1 1 106 106 PRO CA C 13 61.76 0.27 . 1 . . . . . . . . 5208 1 636 . 1 1 106 106 PRO CB C 13 32.06 0.27 . 1 . . . . . . . . 5208 1 637 . 1 1 107 107 HIS H H 1 8.35 0.01 . 1 . . . . . . . . 5208 1 638 . 1 1 107 107 HIS N N 15 118.64 0.14 . 1 . . . . . . . . 5208 1 639 . 1 1 107 107 HIS C C 13 176.11 0.06 . 1 . . . . . . . . 5208 1 640 . 1 1 107 107 HIS CA C 13 56.81 0.27 . 1 . . . . . . . . 5208 1 641 . 1 1 107 107 HIS CB C 13 29.39 0.27 . 1 . . . . . . . . 5208 1 642 . 1 1 108 108 ARG H H 1 9.63 0.01 . 1 . . . . . . . . 5208 1 643 . 1 1 108 108 ARG N N 15 121.59 0.14 . 1 . . . . . . . . 5208 1 644 . 1 1 108 108 ARG C C 13 175.66 0.06 . 1 . . . . . . . . 5208 1 645 . 1 1 108 108 ARG CA C 13 51.85 0.27 . 1 . . . . . . . . 5208 1 646 . 1 1 108 108 ARG CB C 13 32.02 0.27 . 1 . . . . . . . . 5208 1 647 . 1 1 109 109 ARG H H 1 8.71 0.01 . 1 . . . . . . . . 5208 1 648 . 1 1 109 109 ARG N N 15 122.15 0.14 . 1 . . . . . . . . 5208 1 649 . 1 1 109 109 ARG C C 13 174.13 0.06 . 1 . . . . . . . . 5208 1 650 . 1 1 109 109 ARG CA C 13 55.46 0.27 . 1 . . . . . . . . 5208 1 651 . 1 1 109 109 ARG CB C 13 28.89 0.27 . 1 . . . . . . . . 5208 1 652 . 1 1 110 110 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 5208 1 653 . 1 1 110 110 ILE N N 15 118.55 0.14 . 1 . . . . . . . . 5208 1 654 . 1 1 110 110 ILE C C 13 171.92 0.06 . 1 . . . . . . . . 5208 1 655 . 1 1 110 110 ILE CA C 13 57.13 0.27 . 1 . . . . . . . . 5208 1 656 . 1 1 110 110 ILE CB C 13 41.05 0.27 . 1 . . . . . . . . 5208 1 657 . 1 1 110 110 ILE CG1 C 13 28.5 0.02 . 1 . . . . . . . . 5208 1 658 . 1 1 110 110 ILE CD1 C 13 14.22 0.02 . 1 . . . . . . . . 5208 1 659 . 1 1 110 110 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 5208 1 660 . 1 1 110 110 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 5208 1 661 . 1 1 110 110 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 5208 1 662 . 1 1 111 111 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 5208 1 663 . 1 1 111 111 ASP N N 15 128.02 0.14 . 1 . . . . . . . . 5208 1 664 . 1 1 111 111 ASP C C 13 175.44 0.06 . 1 . . . . . . . . 5208 1 665 . 1 1 111 111 ASP CA C 13 51.79 0.27 . 1 . . . . . . . . 5208 1 666 . 1 1 111 111 ASP CB C 13 42.59 0.27 . 1 . . . . . . . . 5208 1 667 . 1 1 112 112 ILE H H 1 9.27 0.01 . 1 . . . . . . . . 5208 1 668 . 1 1 112 112 ILE N N 15 118.63 0.14 . 1 . . . . . . . . 5208 1 669 . 1 1 112 112 ILE C C 13 174.53 0.06 . 1 . . . . . . . . 5208 1 670 . 1 1 112 112 ILE CA C 13 59.71 0.27 . 1 . . . . . . . . 5208 1 671 . 1 1 112 112 ILE CB C 13 40.35 0.27 . 1 . . . . . . . . 5208 1 672 . 1 1 112 112 ILE CG1 C 13 26.3 0.02 . 1 . . . . . . . . 5208 1 673 . 1 1 112 112 ILE CD1 C 13 13.1 0.02 . 1 . . . . . . . . 5208 1 674 . 1 1 112 112 ILE HD11 H 1 0.53 0.01 . 1 . . . . . . . . 5208 1 675 . 1 1 112 112 ILE HD12 H 1 0.53 0.01 . 1 . . . . . . . . 5208 1 676 . 1 1 112 112 ILE HD13 H 1 0.53 0.01 . 1 . . . . . . . . 5208 1 677 . 1 1 113 113 ARG H H 1 8.83 0.01 . 1 . . . . . . . . 5208 1 678 . 1 1 113 113 ARG N N 15 125.76 0.14 . 1 . . . . . . . . 5208 1 679 . 1 1 113 113 ARG C C 13 173.78 0.06 . 1 . . . . . . . . 5208 1 680 . 1 1 113 113 ARG CA C 13 53.95 0.27 . 1 . . . . . . . . 5208 1 681 . 1 1 113 113 ARG CB C 13 32.44 0.27 . 1 . . . . . . . . 5208 1 682 . 1 1 114 114 LEU H H 1 8.98 0.01 . 1 . . . . . . . . 5208 1 683 . 1 1 114 114 LEU N N 15 126.43 0.14 . 1 . . . . . . . . 5208 1 684 . 1 1 114 114 LEU C C 13 174.69 0.06 . 1 . . . . . . . . 5208 1 685 . 1 1 114 114 LEU CA C 13 53.51 0.27 . 1 . . . . . . . . 5208 1 686 . 1 1 114 114 LEU CB C 13 43.56 0.27 . 1 . . . . . . . . 5208 1 687 . 1 1 114 114 LEU CG C 13 26.89 0.11 . 1 . . . . . . . . 5208 1 688 . 1 1 114 114 LEU CD1 C 13 22.89 0.02 . 2 . . . . . . . . 5208 1 689 . 1 1 114 114 LEU HD11 H 1 0.78 0.01 . 2 . . . . . . . . 5208 1 690 . 1 1 114 114 LEU HD12 H 1 0.78 0.01 . 2 . . . . . . . . 5208 1 691 . 1 1 114 114 LEU HD13 H 1 0.78 0.01 . 2 . . . . . . . . 5208 1 692 . 1 1 114 114 LEU CD2 C 13 27.32 0.02 . 2 . . . . . . . . 5208 1 693 . 1 1 114 114 LEU HD21 H 1 0.43 0.01 . 2 . . . . . . . . 5208 1 694 . 1 1 114 114 LEU HD22 H 1 0.43 0.01 . 2 . . . . . . . . 5208 1 695 . 1 1 114 114 LEU HD23 H 1 0.43 0.01 . 2 . . . . . . . . 5208 1 696 . 1 1 115 115 ILE H H 1 9.19 0.01 . 1 . . . . . . . . 5208 1 697 . 1 1 115 115 ILE N N 15 128.54 0.14 . 1 . . . . . . . . 5208 1 698 . 1 1 115 115 ILE C C 13 173.15 0.06 . 1 . . . . . . . . 5208 1 699 . 1 1 115 115 ILE CA C 13 56.83 0.27 . 1 . . . . . . . . 5208 1 700 . 1 1 115 115 ILE CB C 13 41.70 0.27 . 1 . . . . . . . . 5208 1 701 . 1 1 115 115 ILE CG1 C 13 26.58 0.02 . 1 . . . . . . . . 5208 1 702 . 1 1 115 115 ILE CD1 C 13 13.12 0.02 . 1 . . . . . . . . 5208 1 703 . 1 1 115 115 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 5208 1 704 . 1 1 115 115 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 5208 1 705 . 1 1 115 115 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 5208 1 706 . 1 1 116 116 PRO C C 13 178.56 0.06 . 1 . . . . . . . . 5208 1 707 . 1 1 116 116 PRO CA C 13 62.23 0.27 . 1 . . . . . . . . 5208 1 708 . 1 1 117 117 LYS H H 1 9.43 0.01 . 1 . . . . . . . . 5208 1 709 . 1 1 117 117 LYS N N 15 125.85 0.14 . 1 . . . . . . . . 5208 1 710 . 1 1 117 117 LYS C C 13 178.48 0.06 . 1 . . . . . . . . 5208 1 711 . 1 1 117 117 LYS CA C 13 59.97 0.27 . 1 . . . . . . . . 5208 1 712 . 1 1 117 117 LYS CB C 13 30.98 0.27 . 1 . . . . . . . . 5208 1 713 . 1 1 118 118 ASP H H 1 9.34 0.01 . 1 . . . . . . . . 5208 1 714 . 1 1 118 118 ASP N N 15 112.69 0.14 . 1 . . . . . . . . 5208 1 715 . 1 1 118 118 ASP C C 13 176.63 0.06 . 1 . . . . . . . . 5208 1 716 . 1 1 118 118 ASP CA C 13 54.35 0.27 . 1 . . . . . . . . 5208 1 717 . 1 1 118 118 ASP CB C 13 38.38 0.27 . 1 . . . . . . . . 5208 1 718 . 1 1 119 119 GLN H H 1 8.00 0.01 . 1 . . . . . . . . 5208 1 719 . 1 1 119 119 GLN N N 15 118.23 0.14 . 1 . . . . . . . . 5208 1 720 . 1 1 119 119 GLN C C 13 176.86 0.06 . 1 . . . . . . . . 5208 1 721 . 1 1 119 119 GLN CA C 13 55.49 0.27 . 1 . . . . . . . . 5208 1 722 . 1 1 119 119 GLN CB C 13 29.01 0.27 . 1 . . . . . . . . 5208 1 723 . 1 1 120 120 TYR H H 1 7.52 0.01 . 1 . . . . . . . . 5208 1 724 . 1 1 120 120 TYR N N 15 120.85 0.14 . 1 . . . . . . . . 5208 1 725 . 1 1 120 120 TYR C C 13 176.41 0.06 . 1 . . . . . . . . 5208 1 726 . 1 1 120 120 TYR CA C 13 61.99 0.27 . 1 . . . . . . . . 5208 1 727 . 1 1 120 120 TYR CB C 13 39.19 0.27 . 1 . . . . . . . . 5208 1 728 . 1 1 121 121 TYR H H 1 7.72 0.01 . 1 . . . . . . . . 5208 1 729 . 1 1 121 121 TYR N N 15 115.06 0.14 . 1 . . . . . . . . 5208 1 730 . 1 1 121 121 TYR C C 13 178.25 0.06 . 1 . . . . . . . . 5208 1 731 . 1 1 121 121 TYR CA C 13 63.61 0.27 . 1 . . . . . . . . 5208 1 732 . 1 1 121 121 TYR CB C 13 36.45 0.27 . 1 . . . . . . . . 5208 1 733 . 1 1 122 122 CYS H H 1 9.24 0.01 . 1 . . . . . . . . 5208 1 734 . 1 1 122 122 CYS N N 15 120.20 0.14 . 1 . . . . . . . . 5208 1 735 . 1 1 122 122 CYS C C 13 177.89 0.06 . 1 . . . . . . . . 5208 1 736 . 1 1 122 122 CYS CA C 13 64.52 0.27 . 1 . . . . . . . . 5208 1 737 . 1 1 122 122 CYS CB C 13 25.88 0.27 . 1 . . . . . . . . 5208 1 738 . 1 1 123 123 GLY H H 1 7.64 0.01 . 1 . . . . . . . . 5208 1 739 . 1 1 123 123 GLY N N 15 110.72 0.14 . 1 . . . . . . . . 5208 1 740 . 1 1 123 123 GLY C C 13 174.79 0.06 . 1 . . . . . . . . 5208 1 741 . 1 1 123 123 GLY CA C 13 47.48 0.27 . 1 . . . . . . . . 5208 1 742 . 1 1 124 124 VAL H H 1 8.85 0.01 . 1 . . . . . . . . 5208 1 743 . 1 1 124 124 VAL N N 15 124.21 0.14 . 1 . . . . . . . . 5208 1 744 . 1 1 124 124 VAL C C 13 179.15 0.06 . 1 . . . . . . . . 5208 1 745 . 1 1 124 124 VAL CA C 13 65.83 0.27 . 1 . . . . . . . . 5208 1 746 . 1 1 124 124 VAL CB C 13 31.79 0.27 . 1 . . . . . . . . 5208 1 747 . 1 1 124 124 VAL CG1 C 13 22.24 0.02 . 2 . . . . . . . . 5208 1 748 . 1 1 124 124 VAL HG11 H 1 0.16 0.01 . 2 . . . . . . . . 5208 1 749 . 1 1 124 124 VAL HG12 H 1 0.16 0.01 . 2 . . . . . . . . 5208 1 750 . 1 1 124 124 VAL HG13 H 1 0.16 0.01 . 2 . . . . . . . . 5208 1 751 . 1 1 124 124 VAL CG2 C 13 21.03 0.02 . 2 . . . . . . . . 5208 1 752 . 1 1 124 124 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 5208 1 753 . 1 1 124 124 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 5208 1 754 . 1 1 124 124 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 5208 1 755 . 1 1 125 125 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5208 1 756 . 1 1 125 125 LEU N N 15 123.30 0.14 . 1 . . . . . . . . 5208 1 757 . 1 1 125 125 LEU C C 13 180.16 0.06 . 1 . . . . . . . . 5208 1 758 . 1 1 125 125 LEU CA C 13 58.81 0.27 . 1 . . . . . . . . 5208 1 759 . 1 1 125 125 LEU CB C 13 42.28 0.27 . 1 . . . . . . . . 5208 1 760 . 1 1 125 125 LEU CG C 13 26.4 0.11 . 1 . . . . . . . . 5208 1 761 . 1 1 125 125 LEU CD1 C 13 25.69 0.02 . 2 . . . . . . . . 5208 1 762 . 1 1 125 125 LEU HD11 H 1 1.09 0.01 . 2 . . . . . . . . 5208 1 763 . 1 1 125 125 LEU HD12 H 1 1.09 0.01 . 2 . . . . . . . . 5208 1 764 . 1 1 125 125 LEU HD13 H 1 1.09 0.01 . 2 . . . . . . . . 5208 1 765 . 1 1 125 125 LEU CD2 C 13 26.9 0.02 . 2 . . . . . . . . 5208 1 766 . 1 1 125 125 LEU HD21 H 1 1.05 0.01 . 2 . . . . . . . . 5208 1 767 . 1 1 125 125 LEU HD22 H 1 1.05 0.01 . 2 . . . . . . . . 5208 1 768 . 1 1 125 125 LEU HD23 H 1 1.05 0.01 . 2 . . . . . . . . 5208 1 769 . 1 1 126 126 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 5208 1 770 . 1 1 126 126 TYR N N 15 120.75 0.14 . 1 . . . . . . . . 5208 1 771 . 1 1 126 126 TYR C C 13 179.53 0.06 . 1 . . . . . . . . 5208 1 772 . 1 1 126 126 TYR CA C 13 61.25 0.27 . 1 . . . . . . . . 5208 1 773 . 1 1 126 126 TYR CB C 13 37.84 0.27 . 1 . . . . . . . . 5208 1 774 . 1 1 127 127 PHE H H 1 9.22 0.01 . 1 . . . . . . . . 5208 1 775 . 1 1 127 127 PHE N N 15 113.68 0.14 . 1 . . . . . . . . 5208 1 776 . 1 1 127 127 PHE C C 13 178.38 0.06 . 1 . . . . . . . . 5208 1 777 . 1 1 127 127 PHE CA C 13 60.87 0.27 . 1 . . . . . . . . 5208 1 778 . 1 1 127 127 PHE CB C 13 36.57 0.27 . 1 . . . . . . . . 5208 1 779 . 1 1 128 128 THR H H 1 7.93 0.01 . 1 . . . . . . . . 5208 1 780 . 1 1 128 128 THR N N 15 119.82 0.14 . 1 . . . . . . . . 5208 1 781 . 1 1 128 128 THR C C 13 172.79 0.06 . 1 . . . . . . . . 5208 1 782 . 1 1 128 128 THR CA C 13 66.39 0.27 . 1 . . . . . . . . 5208 1 783 . 1 1 128 128 THR CB C 13 67.87 0.27 . 1 . . . . . . . . 5208 1 784 . 1 1 129 129 GLY H H 1 7.06 0.01 . 1 . . . . . . . . 5208 1 785 . 1 1 129 129 GLY N N 15 107.05 0.14 . 1 . . . . . . . . 5208 1 786 . 1 1 129 129 GLY C C 13 175.24 0.06 . 1 . . . . . . . . 5208 1 787 . 1 1 129 129 GLY CA C 13 42.84 0.27 . 1 . . . . . . . . 5208 1 788 . 1 1 130 130 SER H H 1 7.48 0.01 . 1 . . . . . . . . 5208 1 789 . 1 1 130 130 SER N N 15 115.22 0.14 . 1 . . . . . . . . 5208 1 790 . 1 1 130 130 SER CA C 13 59.15 0.27 . 1 . . . . . . . . 5208 1 791 . 1 1 130 130 SER CB C 13 66.02 0.27 . 1 . . . . . . . . 5208 1 792 . 1 1 131 131 ASP C C 13 178.93 0.06 . 1 . . . . . . . . 5208 1 793 . 1 1 131 131 ASP CA C 13 57.47 0.27 . 1 . . . . . . . . 5208 1 794 . 1 1 131 131 ASP CB C 13 40.01 0.27 . 1 . . . . . . . . 5208 1 795 . 1 1 132 132 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 5208 1 796 . 1 1 132 132 ILE N N 15 120.60 0.14 . 1 . . . . . . . . 5208 1 797 . 1 1 132 132 ILE C C 13 177.55 0.06 . 1 . . . . . . . . 5208 1 798 . 1 1 132 132 ILE CA C 13 63.38 0.27 . 1 . . . . . . . . 5208 1 799 . 1 1 132 132 ILE CB C 13 36.88 0.27 . 1 . . . . . . . . 5208 1 800 . 1 1 132 132 ILE CG1 C 13 27.75 0.02 . 1 . . . . . . . . 5208 1 801 . 1 1 132 132 ILE CD1 C 13 11.93 0.02 . 1 . . . . . . . . 5208 1 802 . 1 1 132 132 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 5208 1 803 . 1 1 132 132 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 5208 1 804 . 1 1 132 132 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 5208 1 805 . 1 1 133 133 PHE H H 1 7.73 0.01 . 1 . . . . . . . . 5208 1 806 . 1 1 133 133 PHE N N 15 122.73 0.14 . 1 . . . . . . . . 5208 1 807 . 1 1 133 133 PHE C C 13 177.13 0.06 . 1 . . . . . . . . 5208 1 808 . 1 1 133 133 PHE CA C 13 61.63 0.27 . 1 . . . . . . . . 5208 1 809 . 1 1 133 133 PHE CB C 13 38.15 0.27 . 1 . . . . . . . . 5208 1 810 . 1 1 134 134 ASN H H 1 8.59 0.01 . 1 . . . . . . . . 5208 1 811 . 1 1 134 134 ASN N N 15 117.35 0.14 . 1 . . . . . . . . 5208 1 812 . 1 1 134 134 ASN C C 13 178.38 0.06 . 1 . . . . . . . . 5208 1 813 . 1 1 134 134 ASN CA C 13 55.50 0.27 . 1 . . . . . . . . 5208 1 814 . 1 1 134 134 ASN CB C 13 37.34 0.27 . 1 . . . . . . . . 5208 1 815 . 1 1 135 135 LYS H H 1 7.74 0.01 . 1 . . . . . . . . 5208 1 816 . 1 1 135 135 LYS N N 15 120.61 0.14 . 1 . . . . . . . . 5208 1 817 . 1 1 135 135 LYS C C 13 179.55 0.06 . 1 . . . . . . . . 5208 1 818 . 1 1 135 135 LYS CA C 13 59.47 0.27 . 1 . . . . . . . . 5208 1 819 . 1 1 135 135 LYS CB C 13 31.36 0.27 . 1 . . . . . . . . 5208 1 820 . 1 1 136 136 ASN H H 1 8.47 0.01 . 1 . . . . . . . . 5208 1 821 . 1 1 136 136 ASN N N 15 120.77 0.14 . 1 . . . . . . . . 5208 1 822 . 1 1 136 136 ASN C C 13 178.55 0.06 . 1 . . . . . . . . 5208 1 823 . 1 1 136 136 ASN CA C 13 55.19 0.27 . 1 . . . . . . . . 5208 1 824 . 1 1 136 136 ASN CB C 13 36.76 0.27 . 1 . . . . . . . . 5208 1 825 . 1 1 137 137 MET H H 1 9.18 0.01 . 1 . . . . . . . . 5208 1 826 . 1 1 137 137 MET N N 15 124.02 0.14 . 1 . . . . . . . . 5208 1 827 . 1 1 137 137 MET C C 13 177.79 0.06 . 1 . . . . . . . . 5208 1 828 . 1 1 137 137 MET CA C 13 58.83 0.27 . 1 . . . . . . . . 5208 1 829 . 1 1 137 137 MET CB C 13 30.13 0.27 . 1 . . . . . . . . 5208 1 830 . 1 1 138 138 ARG H H 1 8.20 0.01 . 1 . . . . . . . . 5208 1 831 . 1 1 138 138 ARG N N 15 118.12 0.14 . 1 . . . . . . . . 5208 1 832 . 1 1 138 138 ARG C C 13 179.16 0.06 . 1 . . . . . . . . 5208 1 833 . 1 1 138 138 ARG CA C 13 59.59 0.27 . 1 . . . . . . . . 5208 1 834 . 1 1 138 138 ARG CB C 13 29.32 0.27 . 1 . . . . . . . . 5208 1 835 . 1 1 139 139 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 5208 1 836 . 1 1 139 139 ALA N N 15 121.38 0.14 . 1 . . . . . . . . 5208 1 837 . 1 1 139 139 ALA C C 13 180.48 0.06 . 1 . . . . . . . . 5208 1 838 . 1 1 139 139 ALA CA C 13 54.60 0.27 . 1 . . . . . . . . 5208 1 839 . 1 1 139 139 ALA CB C 13 17.31 0.27 . 1 . . . . . . . . 5208 1 840 . 1 1 140 140 HIS H H 1 7.78 0.01 . 1 . . . . . . . . 5208 1 841 . 1 1 140 140 HIS N N 15 118.92 0.14 . 1 . . . . . . . . 5208 1 842 . 1 1 140 140 HIS C C 13 176.91 0.06 . 1 . . . . . . . . 5208 1 843 . 1 1 140 140 HIS CA C 13 59.22 0.27 . 1 . . . . . . . . 5208 1 844 . 1 1 140 140 HIS CB C 13 28.89 0.27 . 1 . . . . . . . . 5208 1 845 . 1 1 141 141 ALA H H 1 8.45 0.01 . 1 . . . . . . . . 5208 1 846 . 1 1 141 141 ALA N N 15 119.25 0.14 . 1 . . . . . . . . 5208 1 847 . 1 1 141 141 ALA C C 13 179.65 0.06 . 1 . . . . . . . . 5208 1 848 . 1 1 141 141 ALA CA C 13 55.17 0.27 . 1 . . . . . . . . 5208 1 849 . 1 1 141 141 ALA CB C 13 17.43 0.27 . 1 . . . . . . . . 5208 1 850 . 1 1 142 142 LEU H H 1 7.80 0.01 . 1 . . . . . . . . 5208 1 851 . 1 1 142 142 LEU N N 15 118.69 0.14 . 1 . . . . . . . . 5208 1 852 . 1 1 142 142 LEU C C 13 181.64 0.06 . 1 . . . . . . . . 5208 1 853 . 1 1 142 142 LEU CA C 13 57.77 0.27 . 1 . . . . . . . . 5208 1 854 . 1 1 142 142 LEU CB C 13 41.28 0.27 . 1 . . . . . . . . 5208 1 855 . 1 1 142 142 LEU CG C 13 26.52 0.11 . 1 . . . . . . . . 5208 1 856 . 1 1 142 142 LEU CD1 C 13 24.06 0.02 . 2 . . . . . . . . 5208 1 857 . 1 1 142 142 LEU HD11 H 1 0.9 0.01 . 2 . . . . . . . . 5208 1 858 . 1 1 142 142 LEU HD12 H 1 0.9 0.01 . 2 . . . . . . . . 5208 1 859 . 1 1 142 142 LEU HD13 H 1 0.9 0.01 . 2 . . . . . . . . 5208 1 860 . 1 1 142 142 LEU CD2 C 13 24.62 0.02 . 2 . . . . . . . . 5208 1 861 . 1 1 142 142 LEU HD21 H 1 0.87 0.01 . 2 . . . . . . . . 5208 1 862 . 1 1 142 142 LEU HD22 H 1 0.87 0.01 . 2 . . . . . . . . 5208 1 863 . 1 1 142 142 LEU HD23 H 1 0.87 0.01 . 2 . . . . . . . . 5208 1 864 . 1 1 143 143 GLU H H 1 7.44 0.01 . 1 . . . . . . . . 5208 1 865 . 1 1 143 143 GLU N N 15 120.00 0.14 . 1 . . . . . . . . 5208 1 866 . 1 1 143 143 GLU C C 13 178.41 0.06 . 1 . . . . . . . . 5208 1 867 . 1 1 143 143 GLU CA C 13 58.56 0.27 . 1 . . . . . . . . 5208 1 868 . 1 1 143 143 GLU CB C 13 28.54 0.27 . 1 . . . . . . . . 5208 1 869 . 1 1 144 144 LYS H H 1 7.43 0.01 . 1 . . . . . . . . 5208 1 870 . 1 1 144 144 LYS N N 15 115.72 0.14 . 1 . . . . . . . . 5208 1 871 . 1 1 144 144 LYS C C 13 175.67 0.06 . 1 . . . . . . . . 5208 1 872 . 1 1 144 144 LYS CA C 13 53.52 0.27 . 1 . . . . . . . . 5208 1 873 . 1 1 144 144 LYS CB C 13 30.78 0.27 . 1 . . . . . . . . 5208 1 874 . 1 1 145 145 GLY H H 1 7.81 0.01 . 1 . . . . . . . . 5208 1 875 . 1 1 145 145 GLY N N 15 105.96 0.14 . 1 . . . . . . . . 5208 1 876 . 1 1 145 145 GLY C C 13 173.53 0.06 . 1 . . . . . . . . 5208 1 877 . 1 1 145 145 GLY CA C 13 45.26 0.27 . 1 . . . . . . . . 5208 1 878 . 1 1 146 146 PHE H H 1 8.63 0.01 . 1 . . . . . . . . 5208 1 879 . 1 1 146 146 PHE N N 15 119.82 0.14 . 1 . . . . . . . . 5208 1 880 . 1 1 146 146 PHE C C 13 173.59 0.06 . 1 . . . . . . . . 5208 1 881 . 1 1 146 146 PHE CA C 13 56.38 0.27 . 1 . . . . . . . . 5208 1 882 . 1 1 146 146 PHE CB C 13 42.63 0.27 . 1 . . . . . . . . 5208 1 883 . 1 1 147 147 THR H H 1 9.05 0.01 . 1 . . . . . . . . 5208 1 884 . 1 1 147 147 THR N N 15 112.38 0.14 . 1 . . . . . . . . 5208 1 885 . 1 1 147 147 THR C C 13 173.45 0.06 . 1 . . . . . . . . 5208 1 886 . 1 1 147 147 THR CA C 13 58.07 0.27 . 1 . . . . . . . . 5208 1 887 . 1 1 147 147 THR CB C 13 69.76 0.27 . 1 . . . . . . . . 5208 1 888 . 1 1 148 148 ILE H H 1 8.13 0.01 . 1 . . . . . . . . 5208 1 889 . 1 1 148 148 ILE N N 15 129.52 0.14 . 1 . . . . . . . . 5208 1 890 . 1 1 148 148 ILE C C 13 174.36 0.06 . 1 . . . . . . . . 5208 1 891 . 1 1 148 148 ILE CA C 13 59.41 0.27 . 1 . . . . . . . . 5208 1 892 . 1 1 148 148 ILE CB C 13 40.97 0.27 . 1 . . . . . . . . 5208 1 893 . 1 1 148 148 ILE CG1 C 13 27.4 0.02 . 1 . . . . . . . . 5208 1 894 . 1 1 148 148 ILE CD1 C 13 14.96 0.02 . 1 . . . . . . . . 5208 1 895 . 1 1 148 148 ILE HD11 H 1 0.61 0.01 . 1 . . . . . . . . 5208 1 896 . 1 1 148 148 ILE HD12 H 1 0.61 0.01 . 1 . . . . . . . . 5208 1 897 . 1 1 148 148 ILE HD13 H 1 0.61 0.01 . 1 . . . . . . . . 5208 1 898 . 1 1 149 149 ASN H H 1 8.57 0.01 . 1 . . . . . . . . 5208 1 899 . 1 1 149 149 ASN N N 15 126.75 0.14 . 1 . . . . . . . . 5208 1 900 . 1 1 149 149 ASN C C 13 173.85 0.06 . 1 . . . . . . . . 5208 1 901 . 1 1 149 149 ASN CA C 13 50.75 0.27 . 1 . . . . . . . . 5208 1 902 . 1 1 149 149 ASN CB C 13 38.00 0.27 . 1 . . . . . . . . 5208 1 903 . 1 1 150 150 GLU H H 1 9.21 0.01 . 1 . . . . . . . . 5208 1 904 . 1 1 150 150 GLU N N 15 116.32 0.14 . 1 . . . . . . . . 5208 1 905 . 1 1 150 150 GLU C C 13 173.48 0.06 . 1 . . . . . . . . 5208 1 906 . 1 1 150 150 GLU CA C 13 58.12 0.27 . 1 . . . . . . . . 5208 1 907 . 1 1 150 150 GLU CB C 13 27.50 0.27 . 1 . . . . . . . . 5208 1 908 . 1 1 151 151 TYR H H 1 7.69 0.01 . 1 . . . . . . . . 5208 1 909 . 1 1 151 151 TYR N N 15 112.75 0.14 . 1 . . . . . . . . 5208 1 910 . 1 1 151 151 TYR C C 13 176.35 0.06 . 1 . . . . . . . . 5208 1 911 . 1 1 151 151 TYR CA C 13 57.86 0.27 . 1 . . . . . . . . 5208 1 912 . 1 1 151 151 TYR CB C 13 41.36 0.27 . 1 . . . . . . . . 5208 1 913 . 1 1 152 152 THR H H 1 8.35 0.01 . 1 . . . . . . . . 5208 1 914 . 1 1 152 152 THR N N 15 107.15 0.14 . 1 . . . . . . . . 5208 1 915 . 1 1 152 152 THR C C 13 172.80 0.06 . 1 . . . . . . . . 5208 1 916 . 1 1 152 152 THR CA C 13 60.19 0.27 . 1 . . . . . . . . 5208 1 917 . 1 1 152 152 THR CB C 13 74.89 0.27 . 1 . . . . . . . . 5208 1 918 . 1 1 153 153 ILE H H 1 9.51 0.01 . 1 . . . . . . . . 5208 1 919 . 1 1 153 153 ILE N N 15 118.64 0.14 . 1 . . . . . . . . 5208 1 920 . 1 1 153 153 ILE C C 13 173.03 0.06 . 1 . . . . . . . . 5208 1 921 . 1 1 153 153 ILE CA C 13 58.65 0.27 . 1 . . . . . . . . 5208 1 922 . 1 1 153 153 ILE CB C 13 40.01 0.27 . 1 . . . . . . . . 5208 1 923 . 1 1 153 153 ILE CG1 C 13 28.51 0.02 . 1 . . . . . . . . 5208 1 924 . 1 1 153 153 ILE CD1 C 13 13.56 0.02 . 1 . . . . . . . . 5208 1 925 . 1 1 153 153 ILE HD11 H 1 0.38 0.01 . 1 . . . . . . . . 5208 1 926 . 1 1 153 153 ILE HD12 H 1 0.38 0.01 . 1 . . . . . . . . 5208 1 927 . 1 1 153 153 ILE HD13 H 1 0.38 0.01 . 1 . . . . . . . . 5208 1 928 . 1 1 154 154 ARG H H 1 8.39 0.01 . 1 . . . . . . . . 5208 1 929 . 1 1 154 154 ARG N N 15 124.21 0.14 . 1 . . . . . . . . 5208 1 930 . 1 1 154 154 ARG C C 13 173.32 0.06 . 1 . . . . . . . . 5208 1 931 . 1 1 154 154 ARG CA C 13 51.35 0.27 . 1 . . . . . . . . 5208 1 932 . 1 1 154 154 ARG CB C 13 32.52 0.27 . 1 . . . . . . . . 5208 1 933 . 1 1 155 155 PRO C C 13 175.81 0.06 . 1 . . . . . . . . 5208 1 934 . 1 1 155 155 PRO CA C 13 61.66 0.27 . 1 . . . . . . . . 5208 1 935 . 1 1 155 155 PRO CB C 13 30.98 0.27 . 1 . . . . . . . . 5208 1 936 . 1 1 156 156 LEU H H 1 8.06 0.01 . 1 . . . . . . . . 5208 1 937 . 1 1 156 156 LEU N N 15 122.30 0.14 . 1 . . . . . . . . 5208 1 938 . 1 1 156 156 LEU C C 13 177.34 0.06 . 1 . . . . . . . . 5208 1 939 . 1 1 156 156 LEU CA C 13 53.45 0.27 . 1 . . . . . . . . 5208 1 940 . 1 1 156 156 LEU CB C 13 42.71 0.27 . 1 . . . . . . . . 5208 1 941 . 1 1 156 156 LEU CG C 13 26.14 0.11 . 1 . . . . . . . . 5208 1 942 . 1 1 156 156 LEU CD1 C 13 24.8 0.02 . 2 . . . . . . . . 5208 1 943 . 1 1 156 156 LEU HD11 H 1 0.64 0.01 . 2 . . . . . . . . 5208 1 944 . 1 1 156 156 LEU HD12 H 1 0.64 0.01 . 2 . . . . . . . . 5208 1 945 . 1 1 156 156 LEU HD13 H 1 0.64 0.01 . 2 . . . . . . . . 5208 1 946 . 1 1 156 156 LEU CD2 C 13 23.61 0.02 . 2 . . . . . . . . 5208 1 947 . 1 1 156 156 LEU HD21 H 1 0.59 0.01 . 2 . . . . . . . . 5208 1 948 . 1 1 156 156 LEU HD22 H 1 0.59 0.01 . 2 . . . . . . . . 5208 1 949 . 1 1 156 156 LEU HD23 H 1 0.59 0.01 . 2 . . . . . . . . 5208 1 950 . 1 1 157 157 GLY H H 1 8.14 0.01 . 1 . . . . . . . . 5208 1 951 . 1 1 157 157 GLY N N 15 109.92 0.14 . 1 . . . . . . . . 5208 1 952 . 1 1 157 157 GLY C C 13 176.08 0.06 . 1 . . . . . . . . 5208 1 953 . 1 1 157 157 GLY CA C 13 43.85 0.27 . 1 . . . . . . . . 5208 1 954 . 1 1 158 158 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 5208 1 955 . 1 1 158 158 VAL N N 15 118.16 0.14 . 1 . . . . . . . . 5208 1 956 . 1 1 158 158 VAL C C 13 177.61 0.06 . 1 . . . . . . . . 5208 1 957 . 1 1 158 158 VAL CA C 13 64.10 0.27 . 1 . . . . . . . . 5208 1 958 . 1 1 158 158 VAL CB C 13 31.44 0.27 . 1 . . . . . . . . 5208 1 959 . 1 1 158 158 VAL CG1 C 13 20.19 0.02 . 2 . . . . . . . . 5208 1 960 . 1 1 158 158 VAL HG11 H 1 1 0.01 . 2 . . . . . . . . 5208 1 961 . 1 1 158 158 VAL HG12 H 1 1 0.01 . 2 . . . . . . . . 5208 1 962 . 1 1 158 158 VAL HG13 H 1 1 0.01 . 2 . . . . . . . . 5208 1 963 . 1 1 158 158 VAL CG2 C 13 20.79 0.02 . 2 . . . . . . . . 5208 1 964 . 1 1 158 158 VAL HG21 H 1 1.01 0.01 . 2 . . . . . . . . 5208 1 965 . 1 1 158 158 VAL HG22 H 1 1.01 0.01 . 2 . . . . . . . . 5208 1 966 . 1 1 158 158 VAL HG23 H 1 1.01 0.01 . 2 . . . . . . . . 5208 1 967 . 1 1 159 159 THR H H 1 8.04 0.01 . 1 . . . . . . . . 5208 1 968 . 1 1 159 159 THR N N 15 109.49 0.14 . 1 . . . . . . . . 5208 1 969 . 1 1 159 159 THR C C 13 175.36 0.06 . 1 . . . . . . . . 5208 1 970 . 1 1 159 159 THR CA C 13 60.87 0.27 . 1 . . . . . . . . 5208 1 971 . 1 1 159 159 THR CB C 13 68.60 0.27 . 1 . . . . . . . . 5208 1 972 . 1 1 160 160 GLY H H 1 7.98 0.01 . 1 . . . . . . . . 5208 1 973 . 1 1 160 160 GLY N N 15 108.87 0.14 . 1 . . . . . . . . 5208 1 974 . 1 1 160 160 GLY C C 13 173.38 0.06 . 1 . . . . . . . . 5208 1 975 . 1 1 160 160 GLY CA C 13 45.08 0.27 . 1 . . . . . . . . 5208 1 976 . 1 1 161 161 VAL H H 1 7.49 0.01 . 1 . . . . . . . . 5208 1 977 . 1 1 161 161 VAL N N 15 119.86 0.14 . 1 . . . . . . . . 5208 1 978 . 1 1 161 161 VAL C C 13 176.25 0.06 . 1 . . . . . . . . 5208 1 979 . 1 1 161 161 VAL CA C 13 61.35 0.27 . 1 . . . . . . . . 5208 1 980 . 1 1 161 161 VAL CB C 13 32.02 0.27 . 1 . . . . . . . . 5208 1 981 . 1 1 161 161 VAL CG1 C 13 20.77 0.02 . 2 . . . . . . . . 5208 1 982 . 1 1 161 161 VAL HG11 H 1 0.79 0.01 . 2 . . . . . . . . 5208 1 983 . 1 1 161 161 VAL HG12 H 1 0.79 0.01 . 2 . . . . . . . . 5208 1 984 . 1 1 161 161 VAL HG13 H 1 0.79 0.01 . 2 . . . . . . . . 5208 1 985 . 1 1 161 161 VAL CG2 C 13 20.79 0.02 . 2 . . . . . . . . 5208 1 986 . 1 1 161 161 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 5208 1 987 . 1 1 161 161 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 5208 1 988 . 1 1 161 161 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 5208 1 989 . 1 1 162 162 ALA H H 1 8.73 0.01 . 1 . . . . . . . . 5208 1 990 . 1 1 162 162 ALA N N 15 131.66 0.14 . 1 . . . . . . . . 5208 1 991 . 1 1 162 162 ALA C C 13 178.29 0.06 . 1 . . . . . . . . 5208 1 992 . 1 1 162 162 ALA CA C 13 51.77 0.27 . 1 . . . . . . . . 5208 1 993 . 1 1 162 162 ALA CB C 13 18.43 0.27 . 1 . . . . . . . . 5208 1 994 . 1 1 163 163 GLY H H 1 8.66 0.01 . 1 . . . . . . . . 5208 1 995 . 1 1 163 163 GLY N N 15 108.93 0.14 . 1 . . . . . . . . 5208 1 996 . 1 1 163 163 GLY C C 13 172.71 0.06 . 1 . . . . . . . . 5208 1 997 . 1 1 163 163 GLY CA C 13 43.05 0.27 . 1 . . . . . . . . 5208 1 998 . 1 1 164 164 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5208 1 999 . 1 1 164 164 GLU N N 15 119.61 0.14 . 1 . . . . . . . . 5208 1 1000 . 1 1 164 164 GLU C C 13 174.47 0.06 . 1 . . . . . . . . 5208 1 1001 . 1 1 164 164 GLU CA C 13 54.59 0.27 . 1 . . . . . . . . 5208 1 1002 . 1 1 164 164 GLU CB C 13 28.04 0.27 . 1 . . . . . . . . 5208 1 1003 . 1 1 165 165 PRO C C 13 177.18 0.06 . 1 . . . . . . . . 5208 1 1004 . 1 1 165 165 PRO CA C 13 62.92 0.27 . 1 . . . . . . . . 5208 1 1005 . 1 1 165 165 PRO CB C 13 31.67 0.27 . 1 . . . . . . . . 5208 1 1006 . 1 1 166 166 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5208 1 1007 . 1 1 166 166 LEU N N 15 125.54 0.14 . 1 . . . . . . . . 5208 1 1008 . 1 1 166 166 LEU C C 13 175.59 0.06 . 1 . . . . . . . . 5208 1 1009 . 1 1 166 166 LEU CA C 13 52.35 0.27 . 1 . . . . . . . . 5208 1 1010 . 1 1 166 166 LEU CB C 13 40.01 0.27 . 1 . . . . . . . . 5208 1 1011 . 1 1 166 166 LEU CG C 13 26.73 0.11 . 1 . . . . . . . . 5208 1 1012 . 1 1 166 166 LEU CD1 C 13 22.71 0.02 . 2 . . . . . . . . 5208 1 1013 . 1 1 166 166 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 5208 1 1014 . 1 1 166 166 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 5208 1 1015 . 1 1 166 166 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 5208 1 1016 . 1 1 166 166 LEU CD2 C 13 24.52 0.02 . 2 . . . . . . . . 5208 1 1017 . 1 1 166 166 LEU HD21 H 1 0.2 0.01 . 2 . . . . . . . . 5208 1 1018 . 1 1 166 166 LEU HD22 H 1 0.2 0.01 . 2 . . . . . . . . 5208 1 1019 . 1 1 166 166 LEU HD23 H 1 0.2 0.01 . 2 . . . . . . . . 5208 1 1020 . 1 1 167 167 PRO C C 13 177.82 0.06 . 1 . . . . . . . . 5208 1 1021 . 1 1 167 167 PRO CA C 13 62.89 0.27 . 1 . . . . . . . . 5208 1 1022 . 1 1 167 167 PRO CB C 13 30.90 0.27 . 1 . . . . . . . . 5208 1 1023 . 1 1 168 168 VAL H H 1 9.31 0.01 . 1 . . . . . . . . 5208 1 1024 . 1 1 168 168 VAL N N 15 126.25 0.14 . 1 . . . . . . . . 5208 1 1025 . 1 1 168 168 VAL C C 13 175.38 0.06 . 1 . . . . . . . . 5208 1 1026 . 1 1 168 168 VAL CA C 13 62.50 0.27 . 1 . . . . . . . . 5208 1 1027 . 1 1 168 168 VAL CB C 13 35.30 0.27 . 1 . . . . . . . . 5208 1 1028 . 1 1 168 168 VAL CG1 C 13 22.38 0.02 . 2 . . . . . . . . 5208 1 1029 . 1 1 168 168 VAL HG11 H 1 1.1 0.01 . 2 . . . . . . . . 5208 1 1030 . 1 1 168 168 VAL HG12 H 1 1.1 0.01 . 2 . . . . . . . . 5208 1 1031 . 1 1 168 168 VAL HG13 H 1 1.1 0.01 . 2 . . . . . . . . 5208 1 1032 . 1 1 168 168 VAL CG2 C 13 24.9 0.02 . 2 . . . . . . . . 5208 1 1033 . 1 1 168 168 VAL HG21 H 1 1.26 0.01 . 2 . . . . . . . . 5208 1 1034 . 1 1 168 168 VAL HG22 H 1 1.26 0.01 . 2 . . . . . . . . 5208 1 1035 . 1 1 168 168 VAL HG23 H 1 1.26 0.01 . 2 . . . . . . . . 5208 1 1036 . 1 1 169 169 ASP H H 1 10.01 0.01 . 1 . . . . . . . . 5208 1 1037 . 1 1 169 169 ASP N N 15 129.38 0.14 . 1 . . . . . . . . 5208 1 1038 . 1 1 169 169 ASP C C 13 173.71 0.06 . 1 . . . . . . . . 5208 1 1039 . 1 1 169 169 ASP CA C 13 53.66 0.27 . 1 . . . . . . . . 5208 1 1040 . 1 1 169 169 ASP CB C 13 42.51 0.27 . 1 . . . . . . . . 5208 1 1041 . 1 1 170 170 SER H H 1 7.48 0.01 . 1 . . . . . . . . 5208 1 1042 . 1 1 170 170 SER N N 15 110.74 0.14 . 1 . . . . . . . . 5208 1 1043 . 1 1 170 170 SER C C 13 174.19 0.06 . 1 . . . . . . . . 5208 1 1044 . 1 1 170 170 SER CA C 13 56.53 0.27 . 1 . . . . . . . . 5208 1 1045 . 1 1 170 170 SER CB C 13 63.51 0.27 . 1 . . . . . . . . 5208 1 1046 . 1 1 171 171 GLU H H 1 9.06 0.01 . 1 . . . . . . . . 5208 1 1047 . 1 1 171 171 GLU N N 15 118.78 0.14 . 1 . . . . . . . . 5208 1 1048 . 1 1 171 171 GLU C C 13 179.43 0.06 . 1 . . . . . . . . 5208 1 1049 . 1 1 171 171 GLU CA C 13 60.24 0.27 . 1 . . . . . . . . 5208 1 1050 . 1 1 171 171 GLU CB C 13 31.09 0.27 . 1 . . . . . . . . 5208 1 1051 . 1 1 172 172 GLN H H 1 8.60 0.01 . 1 . . . . . . . . 5208 1 1052 . 1 1 172 172 GLN N N 15 118.12 0.14 . 1 . . . . . . . . 5208 1 1053 . 1 1 172 172 GLN C C 13 177.10 0.06 . 1 . . . . . . . . 5208 1 1054 . 1 1 172 172 GLN CA C 13 59.65 0.27 . 1 . . . . . . . . 5208 1 1055 . 1 1 172 172 GLN CB C 13 26.61 0.27 . 1 . . . . . . . . 5208 1 1056 . 1 1 173 173 ASP H H 1 7.66 0.01 . 1 . . . . . . . . 5208 1 1057 . 1 1 173 173 ASP N N 15 117.36 0.14 . 1 . . . . . . . . 5208 1 1058 . 1 1 173 173 ASP C C 13 177.57 0.06 . 1 . . . . . . . . 5208 1 1059 . 1 1 173 173 ASP CA C 13 57.23 0.27 . 1 . . . . . . . . 5208 1 1060 . 1 1 173 173 ASP CB C 13 40.35 0.27 . 1 . . . . . . . . 5208 1 1061 . 1 1 174 174 ILE H H 1 7.43 0.01 . 1 . . . . . . . . 5208 1 1062 . 1 1 174 174 ILE N N 15 116.57 0.14 . 1 . . . . . . . . 5208 1 1063 . 1 1 174 174 ILE C C 13 177.34 0.06 . 1 . . . . . . . . 5208 1 1064 . 1 1 174 174 ILE CA C 13 65.79 0.27 . 1 . . . . . . . . 5208 1 1065 . 1 1 174 174 ILE CB C 13 37.30 0.27 . 1 . . . . . . . . 5208 1 1066 . 1 1 174 174 ILE CG1 C 13 28.72 0.02 . 1 . . . . . . . . 5208 1 1067 . 1 1 174 174 ILE CD1 C 13 15.71 0.02 . 1 . . . . . . . . 5208 1 1068 . 1 1 174 174 ILE HD11 H 1 1.05 0.01 . 1 . . . . . . . . 5208 1 1069 . 1 1 174 174 ILE HD12 H 1 1.05 0.01 . 1 . . . . . . . . 5208 1 1070 . 1 1 174 174 ILE HD13 H 1 1.05 0.01 . 1 . . . . . . . . 5208 1 1071 . 1 1 175 175 PHE H H 1 7.09 0.01 . 1 . . . . . . . . 5208 1 1072 . 1 1 175 175 PHE N N 15 114.96 0.14 . 1 . . . . . . . . 5208 1 1073 . 1 1 175 175 PHE C C 13 177.62 0.06 . 1 . . . . . . . . 5208 1 1074 . 1 1 175 175 PHE CA C 13 62.26 0.27 . 1 . . . . . . . . 5208 1 1075 . 1 1 175 175 PHE CB C 13 36.73 0.27 . 1 . . . . . . . . 5208 1 1076 . 1 1 176 176 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 5208 1 1077 . 1 1 176 176 ASP N N 15 118.05 0.14 . 1 . . . . . . . . 5208 1 1078 . 1 1 176 176 ASP C C 13 180.76 0.06 . 1 . . . . . . . . 5208 1 1079 . 1 1 176 176 ASP CA C 13 57.05 0.27 . 1 . . . . . . . . 5208 1 1080 . 1 1 176 176 ASP CB C 13 39.16 0.27 . 1 . . . . . . . . 5208 1 1081 . 1 1 177 177 TYR H H 1 8.07 0.01 . 1 . . . . . . . . 5208 1 1082 . 1 1 177 177 TYR N N 15 119.40 0.14 . 1 . . . . . . . . 5208 1 1083 . 1 1 177 177 TYR C C 13 177.30 0.06 . 1 . . . . . . . . 5208 1 1084 . 1 1 177 177 TYR CA C 13 61.21 0.27 . 1 . . . . . . . . 5208 1 1085 . 1 1 177 177 TYR CB C 13 37.00 0.27 . 1 . . . . . . . . 5208 1 1086 . 1 1 178 178 ILE H H 1 6.80 0.01 . 1 . . . . . . . . 5208 1 1087 . 1 1 178 178 ILE N N 15 105.04 0.14 . 1 . . . . . . . . 5208 1 1088 . 1 1 178 178 ILE C C 13 173.31 0.06 . 1 . . . . . . . . 5208 1 1089 . 1 1 178 178 ILE CA C 13 59.92 0.27 . 1 . . . . . . . . 5208 1 1090 . 1 1 178 178 ILE CB C 13 36.96 0.27 . 1 . . . . . . . . 5208 1 1091 . 1 1 178 178 ILE CG1 C 13 23.77 0.02 . 1 . . . . . . . . 5208 1 1092 . 1 1 178 178 ILE CD1 C 13 14.68 0.02 . 1 . . . . . . . . 5208 1 1093 . 1 1 178 178 ILE HD11 H 1 0.3 0.01 . 1 . . . . . . . . 5208 1 1094 . 1 1 178 178 ILE HD12 H 1 0.3 0.01 . 1 . . . . . . . . 5208 1 1095 . 1 1 178 178 ILE HD13 H 1 0.3 0.01 . 1 . . . . . . . . 5208 1 1096 . 1 1 179 179 GLN H H 1 7.89 0.01 . 1 . . . . . . . . 5208 1 1097 . 1 1 179 179 GLN N N 15 116.49 0.14 . 1 . . . . . . . . 5208 1 1098 . 1 1 179 179 GLN C C 13 175.17 0.06 . 1 . . . . . . . . 5208 1 1099 . 1 1 179 179 GLN CA C 13 56.37 0.27 . 1 . . . . . . . . 5208 1 1100 . 1 1 179 179 GLN CB C 13 25.50 0.27 . 1 . . . . . . . . 5208 1 1101 . 1 1 180 180 TRP H H 1 8.53 0.01 . 1 . . . . . . . . 5208 1 1102 . 1 1 180 180 TRP N N 15 121.31 0.14 . 1 . . . . . . . . 5208 1 1103 . 1 1 180 180 TRP C C 13 176.32 0.06 . 1 . . . . . . . . 5208 1 1104 . 1 1 180 180 TRP CA C 13 53.05 0.27 . 1 . . . . . . . . 5208 1 1105 . 1 1 180 180 TRP CB C 13 33.21 0.27 . 1 . . . . . . . . 5208 1 1106 . 1 1 181 181 ARG H H 1 8.24 0.01 . 1 . . . . . . . . 5208 1 1107 . 1 1 181 181 ARG N N 15 123.50 0.14 . 1 . . . . . . . . 5208 1 1108 . 1 1 181 181 ARG C C 13 176.01 0.06 . 1 . . . . . . . . 5208 1 1109 . 1 1 181 181 ARG CA C 13 55.92 0.27 . 1 . . . . . . . . 5208 1 1110 . 1 1 181 181 ARG CB C 13 29.12 0.27 . 1 . . . . . . . . 5208 1 1111 . 1 1 182 182 TYR H H 1 8.70 0.01 . 1 . . . . . . . . 5208 1 1112 . 1 1 182 182 TYR N N 15 124.63 0.14 . 1 . . . . . . . . 5208 1 1113 . 1 1 182 182 TYR C C 13 174.02 0.06 . 1 . . . . . . . . 5208 1 1114 . 1 1 182 182 TYR CA C 13 60.00 0.27 . 1 . . . . . . . . 5208 1 1115 . 1 1 182 182 TYR CB C 13 37.23 0.27 . 1 . . . . . . . . 5208 1 1116 . 1 1 185 185 PRO C C 13 176.72 0.06 . 1 . . . . . . . . 5208 1 1117 . 1 1 185 185 PRO CA C 13 66.25 0.27 . 1 . . . . . . . . 5208 1 1118 . 1 1 185 185 PRO CB C 13 31.52 0.27 . 1 . . . . . . . . 5208 1 1119 . 1 1 186 186 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 5208 1 1120 . 1 1 186 186 LYS N N 15 112.27 0.14 . 1 . . . . . . . . 5208 1 1121 . 1 1 186 186 LYS C C 13 176.67 0.06 . 1 . . . . . . . . 5208 1 1122 . 1 1 186 186 LYS CA C 13 57.13 0.27 . 1 . . . . . . . . 5208 1 1123 . 1 1 186 186 LYS CB C 13 30.28 0.27 . 1 . . . . . . . . 5208 1 1124 . 1 1 187 187 ASP H H 1 7.94 0.01 . 1 . . . . . . . . 5208 1 1125 . 1 1 187 187 ASP N N 15 119.61 0.14 . 1 . . . . . . . . 5208 1 1126 . 1 1 187 187 ASP C C 13 176.18 0.06 . 1 . . . . . . . . 5208 1 1127 . 1 1 187 187 ASP CA C 13 53.63 0.27 . 1 . . . . . . . . 5208 1 1128 . 1 1 187 187 ASP CB C 13 40.74 0.27 . 1 . . . . . . . . 5208 1 1129 . 1 1 188 188 ARG H H 1 7.23 0.01 . 1 . . . . . . . . 5208 1 1130 . 1 1 188 188 ARG N N 15 119.54 0.14 . 1 . . . . . . . . 5208 1 1131 . 1 1 188 188 ARG C C 13 175.38 0.06 . 1 . . . . . . . . 5208 1 1132 . 1 1 188 188 ARG CA C 13 55.13 0.27 . 1 . . . . . . . . 5208 1 1133 . 1 1 188 188 ARG CB C 13 28.51 0.27 . 1 . . . . . . . . 5208 1 1134 . 1 1 189 189 SER H H 1 7.92 0.01 . 1 . . . . . . . . 5208 1 1135 . 1 1 189 189 SER N N 15 115.37 0.14 . 1 . . . . . . . . 5208 1 1136 . 1 1 189 189 SER C C 13 175.56 0.06 . 1 . . . . . . . . 5208 1 1137 . 1 1 189 189 SER CA C 13 60.68 0.27 . 1 . . . . . . . . 5208 1 1138 . 1 1 189 189 SER CB C 13 62.00 0.27 . 1 . . . . . . . . 5208 1 1139 . 1 1 190 190 GLU H H 1 7.82 0.01 . 1 . . . . . . . . 5208 1 1140 . 1 1 190 190 GLU N N 15 126.04 0.14 . 1 . . . . . . . . 5208 1 1141 . 1 1 190 190 GLU C C 13 178.70 0.06 . 1 . . . . . . . . 5208 1 1142 . 1 1 190 190 GLU CA C 13 57.14 0.27 . 1 . . . . . . . . 5208 1 1143 . 1 1 190 190 GLU CB C 13 31.13 0.27 . 1 . . . . . . . . 5208 1 stop_ save_