data_26815 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Methyl chemical shift assignments for Hsc70-1-386 ; _BMRB_accession_number 26815 _BMRB_flat_file_name bmr26815.str _Entry_type original _Submission_date 2016-06-14 _Accession_date 2016-06-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; 1H,15N,13C and methyl assignments for the nucleotide binding domain of human Hsc70(residues 1-386) in the ADP state, pH 7.2, 30 0C. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zuiderweg Erik R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 498 "13C chemical shifts" 1211 "15N chemical shifts" 341 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-13 original BMRB . stop_ _Original_release_date 2016-10-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and methyl resonance assignments of the 42 kDa human Hsc70 nucleotide binding domain in the ADP state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27699616 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zuiderweg Erik R. . 2 Gestwicki Jason E. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2016 _Details . loop_ _Keyword 'assignment description' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24022834 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zuiderweg Erik R. . 2 Bagai Ireena . . 3 Rossi Paolo . . 4 Bertelsen Eric B. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 57 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 179 _Page_last 191 _Year 2013 _Details . loop_ _Keyword Methods stop_ save_ save_citation_3 _Saveframe_category citation _Citation_full . _Citation_title ; The 70-kDa heat shock protein chaperone nucleotide-binding domain in solution unveiled as a molecular machine that can reorient its functional subdomains. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15232009 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Yongbo . . 2 Zuiderweg Erik R. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full . _Journal_volume 101 _Journal_issue 28 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 10272 _Page_last 10277 _Year 2004 _Details . loop_ _Keyword 'Structural Information' stop_ save_ save_citation_4 _Saveframe_category citation _Citation_full . _Citation_title ; Allosteric drugs: the interaction of antitumor compound MKT-077 with human Hsp70 chaperones. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21708173 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rousaki Aikaterini . . 2 Miyata Yoshi . . 3 Jinwal Unger K. . 4 Dickey Chad A. . 5 Gestwicki Jason E. . 6 Zuiderweg Erik R. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 411 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 614 _Page_last 632 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HSC70-NBD / ADP' _Enzyme_commission_number 3.6.4.10 loop_ _Mol_system_component_name _Mol_label Protein $Hsc-70 ADP $entity_ADP stop_ _System_molecular_weight 42456 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Molecular chaperone, assists in protein refolding, protein trafficking and protein degradation' stop_ _Database_query_date . _Details 'Hsc70 Nucleotide binding domain 1-386 in complex with ADP' save_ ######################## # Monomeric polymers # ######################## save_Hsc-70 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hsc-70 _Molecular_mass 42456 _Mol_thiol_state 'all free' loop_ _Biological_function 'Molecular chaperone, assists in protein refolding, protein trafficking and protein degradation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 386 _Mol_residue_sequence ; MSKGPAVGIDLGTTYSCVGV FQHGKVEIIANDQGNRTTPS YVAFTDTERLIGDAAKNQVA MNPTNTVFDAKRLIGRRFDD AVVQSDMKHWPFMVVNDAGR PKVQVEYKGETKSFYPEEVS SMVLTKMKEIAEAYLGKTVT NAVVTVPAYFNDSQRQATKD AGTIAGLNVLRIINEPTAAA IAYGLDKKVGAERNVLIFDL GGGTFDVSILTIEDGIFEVK STAGDTHLGGEDFDNRMVNH FIAEFKRKHKKDISENKRAV RRLRTACERAKRTLSSSTQA SIEIDSLYEGIDFYTSITRA RFEELNADLFRGTLDPVEKA LRDAKLDKSQIHDIVLVGGS TRIPKIQKLLQDFFNGKELN KSINPDEAVAYGAAVQAAIL SGDKSE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LYS 4 GLY 5 PRO 6 ALA 7 VAL 8 GLY 9 ILE 10 ASP 11 LEU 12 GLY 13 THR 14 THR 15 TYR 16 SER 17 CYS 18 VAL 19 GLY 20 VAL 21 PHE 22 GLN 23 HIS 24 GLY 25 LYS 26 VAL 27 GLU 28 ILE 29 ILE 30 ALA 31 ASN 32 ASP 33 GLN 34 GLY 35 ASN 36 ARG 37 THR 38 THR 39 PRO 40 SER 41 TYR 42 VAL 43 ALA 44 PHE 45 THR 46 ASP 47 THR 48 GLU 49 ARG 50 LEU 51 ILE 52 GLY 53 ASP 54 ALA 55 ALA 56 LYS 57 ASN 58 GLN 59 VAL 60 ALA 61 MET 62 ASN 63 PRO 64 THR 65 ASN 66 THR 67 VAL 68 PHE 69 ASP 70 ALA 71 LYS 72 ARG 73 LEU 74 ILE 75 GLY 76 ARG 77 ARG 78 PHE 79 ASP 80 ASP 81 ALA 82 VAL 83 VAL 84 GLN 85 SER 86 ASP 87 MET 88 LYS 89 HIS 90 TRP 91 PRO 92 PHE 93 MET 94 VAL 95 VAL 96 ASN 97 ASP 98 ALA 99 GLY 100 ARG 101 PRO 102 LYS 103 VAL 104 GLN 105 VAL 106 GLU 107 TYR 108 LYS 109 GLY 110 GLU 111 THR 112 LYS 113 SER 114 PHE 115 TYR 116 PRO 117 GLU 118 GLU 119 VAL 120 SER 121 SER 122 MET 123 VAL 124 LEU 125 THR 126 LYS 127 MET 128 LYS 129 GLU 130 ILE 131 ALA 132 GLU 133 ALA 134 TYR 135 LEU 136 GLY 137 LYS 138 THR 139 VAL 140 THR 141 ASN 142 ALA 143 VAL 144 VAL 145 THR 146 VAL 147 PRO 148 ALA 149 TYR 150 PHE 151 ASN 152 ASP 153 SER 154 GLN 155 ARG 156 GLN 157 ALA 158 THR 159 LYS 160 ASP 161 ALA 162 GLY 163 THR 164 ILE 165 ALA 166 GLY 167 LEU 168 ASN 169 VAL 170 LEU 171 ARG 172 ILE 173 ILE 174 ASN 175 GLU 176 PRO 177 THR 178 ALA 179 ALA 180 ALA 181 ILE 182 ALA 183 TYR 184 GLY 185 LEU 186 ASP 187 LYS 188 LYS 189 VAL 190 GLY 191 ALA 192 GLU 193 ARG 194 ASN 195 VAL 196 LEU 197 ILE 198 PHE 199 ASP 200 LEU 201 GLY 202 GLY 203 GLY 204 THR 205 PHE 206 ASP 207 VAL 208 SER 209 ILE 210 LEU 211 THR 212 ILE 213 GLU 214 ASP 215 GLY 216 ILE 217 PHE 218 GLU 219 VAL 220 LYS 221 SER 222 THR 223 ALA 224 GLY 225 ASP 226 THR 227 HIS 228 LEU 229 GLY 230 GLY 231 GLU 232 ASP 233 PHE 234 ASP 235 ASN 236 ARG 237 MET 238 VAL 239 ASN 240 HIS 241 PHE 242 ILE 243 ALA 244 GLU 245 PHE 246 LYS 247 ARG 248 LYS 249 HIS 250 LYS 251 LYS 252 ASP 253 ILE 254 SER 255 GLU 256 ASN 257 LYS 258 ARG 259 ALA 260 VAL 261 ARG 262 ARG 263 LEU 264 ARG 265 THR 266 ALA 267 CYS 268 GLU 269 ARG 270 ALA 271 LYS 272 ARG 273 THR 274 LEU 275 SER 276 SER 277 SER 278 THR 279 GLN 280 ALA 281 SER 282 ILE 283 GLU 284 ILE 285 ASP 286 SER 287 LEU 288 TYR 289 GLU 290 GLY 291 ILE 292 ASP 293 PHE 294 TYR 295 THR 296 SER 297 ILE 298 THR 299 ARG 300 ALA 301 ARG 302 PHE 303 GLU 304 GLU 305 LEU 306 ASN 307 ALA 308 ASP 309 LEU 310 PHE 311 ARG 312 GLY 313 THR 314 LEU 315 ASP 316 PRO 317 VAL 318 GLU 319 LYS 320 ALA 321 LEU 322 ARG 323 ASP 324 ALA 325 LYS 326 LEU 327 ASP 328 LYS 329 SER 330 GLN 331 ILE 332 HIS 333 ASP 334 ILE 335 VAL 336 LEU 337 VAL 338 GLY 339 GLY 340 SER 341 THR 342 ARG 343 ILE 344 PRO 345 LYS 346 ILE 347 GLN 348 LYS 349 LEU 350 LEU 351 GLN 352 ASP 353 PHE 354 PHE 355 ASN 356 GLY 357 LYS 358 GLU 359 LEU 360 ASN 361 LYS 362 SER 363 ILE 364 ASN 365 PRO 366 ASP 367 GLU 368 ALA 369 VAL 370 ALA 371 TYR 372 GLY 373 ALA 374 ALA 375 VAL 376 GLN 377 ALA 378 ALA 379 ILE 380 LEU 381 SER 382 GLY 383 ASP 384 LYS 385 SER 386 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UniProtKB P11142 HSP7C_HUMAN . . . . . stop_ save_ ############# # Ligands # ############# save_ADP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ADP (ADENOSINE-5'-DIPHOSPHATE)" _BMRB_code ADP _PDB_code ADP _Molecular_mass 427.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Hsc-70 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Hsc-70 'recombinant technology' . Escherichia coli BL21(DE3) 'pET T7' 'Original plasmid obtained from D.B. Mckay' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Triple labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hsc-70 250 uM '[U-13C; U-15N; U-2H]' $entity_ADP 5 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' TRIS 25 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Methyl labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hsc-70 160 uM '[U-13C; U-15N; U-2H, 13CH ILVAMY]' $entity_ADP 5 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' TRIS 25 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DTT 2 mM 'natural abundance' PMSF 0.1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_EZ-ASSIGN _Saveframe_category software _Name EZ-ASSIGN _Version 4.1 loop_ _Vendor _Address _Electronic_address 'University of Michigan' 'Ann Arbor, MI 48109, USA' zuiderwe@umich.edu stop_ loop_ _Task 'chemical shift assignment' stop_ _Details ; J Biomol NMR. 2013 Oct;57(2):179-91. EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data. Zuiderweg ER, Bagai I, Rossi P, Bertelsen EB. ; save_ save_NOE-Calculations _Saveframe_category software _Name NOE-Calculations _Version . loop_ _Vendor _Address _Electronic_address 'Erik Zuiderweg' 'University of Michigan' Zuiderwe@umich.edu stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Full spin diffusion calculations of large protein NOEs for NMR assignments' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'Backbone assignment data for sample 1' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Backbone and methyl assignment data for ILVAMY labeled sample 2.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA TROSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO TROSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO TROSY' _Sample_label $sample_1 save_ save_3D_HNCACB_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB TROSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB TROSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_2 save_ save_3D_HNCA_TROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA TROSY' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA TROSY' _Sample_label $sample_2 save_ save_3D_HNCACB_TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB TROSY' _Sample_label $sample_2 save_ save_3D_HNCO_TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO TROSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO TROSY' _Sample_label $sample_2 save_ save_3D_HnCANH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HnCANH' _Sample_label $sample_2 save_ save_3D_hNCANH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hNCANH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_H-NH_NOESY-TROSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H-NH NOESY-TROSY' _Sample_label $sample_2 save_ save_3D_C-NH_HMQC-NOESY-TROSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-NH HMQC-NOESY-TROSY' _Sample_label $sample_2 save_ save_3D_H-CH_HMQC-NOESY-HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H-CH HMQC-NOESY-HSQC' _Sample_label $sample_2 save_ save_3D_C-CH_HMQC-NOESY-HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-CH HMQC-NOESY-HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'sample 1' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.2 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'sample 2' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Chemical shifts were referenced to H2O' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.81 na indirect . . . 0.2514642 water H 1 protons ppm 4.81 internal direct . . . 1.0 water N 15 protons ppm 4.81 na indirect . . . 0.10134 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $EZ-ASSIGN $NOE-Calculations stop_ loop_ _Experiment_label '3D HNCA TROSY' '3D HN(CO)CA TROSY' '3D HNCO TROSY' '3D HN(CA)CO TROSY' '3D HNCACB TROSY' '3D HN(CO)CACB TROSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Protein _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER H H 7.615 0.02 1 2 2 2 SER C C 177.200 0.15 1 3 2 2 SER CA C 60.343 0.15 1 4 2 2 SER CB C 64.091 0.15 1 5 3 3 LYS H H 8.220 0.02 1 6 3 3 LYS C C 177.000 0.15 1 7 3 3 LYS CA C 55.612 0.15 1 8 3 3 LYS CB C 32.073 0.15 1 9 3 3 LYS N N 122.583 0.1 1 10 4 4 GLY H H 8.382 0.02 1 11 5 5 PRO C C 175.849 0.15 1 12 5 5 PRO CA C 62.319 0.15 1 13 5 5 PRO CB C 31.402 0.15 1 14 6 6 ALA H H 8.578 0.02 1 15 6 6 ALA C C 177.160 0.15 1 16 6 6 ALA CA C 50.146 0.15 1 17 6 6 ALA CB C 20.530 0.15 1 18 6 6 ALA N N 123.949 0.1 1 19 7 7 VAL H H 7.904 0.02 1 20 7 7 VAL C C 174.264 0.15 1 21 7 7 VAL CA C 58.601 0.15 1 22 7 7 VAL CB C 33.202 0.15 1 23 7 7 VAL N N 111.887 0.1 1 24 8 8 GLY H H 8.829 0.02 1 25 8 8 GLY C C 171.334 0.15 1 26 8 8 GLY CA C 43.499 0.15 1 27 8 8 GLY N N 107.507 0.1 1 28 9 9 ILE H H 8.860 0.02 1 29 9 9 ILE C C 173.321 0.15 1 30 9 9 ILE CA C 60.232 0.15 1 31 9 9 ILE CB C 40.915 0.15 1 32 9 9 ILE N N 123.500 0.1 1 33 10 10 ASP H H 8.438 0.02 1 34 10 10 ASP C C 175.261 0.15 1 35 10 10 ASP CA C 50.908 0.15 1 36 10 10 ASP CB C 41.681 0.15 1 37 10 10 ASP N N 124.969 0.1 1 38 11 11 LEU H H 6.571 0.02 1 39 11 11 LEU C C 174.712 0.15 1 40 11 11 LEU CA C 51.522 0.15 1 41 11 11 LEU CB C 41.598 0.15 1 42 11 11 LEU N N 130.059 0.1 1 43 12 12 GLY H H 7.381 0.02 1 44 12 12 GLY CA C 45.095 0.15 1 45 12 12 GLY N N 114.570 0.1 1 46 15 15 TYR H H 8.774 0.02 1 47 15 15 TYR CA C 53.721 0.15 1 48 15 15 TYR CB C 45.791 0.15 1 49 15 15 TYR N N 120.240 0.1 1 50 16 16 SER H H 8.580 0.02 1 51 16 16 SER C C 172.138 0.15 1 52 16 16 SER CA C 57.333 0.15 1 53 16 16 SER CB C 65.298 0.15 1 54 16 16 SER N N 125.014 0.1 1 55 17 17 CYS H H 8.789 0.02 1 56 17 17 CYS C C 170.749 0.15 1 57 17 17 CYS CA C 57.697 0.15 1 58 17 17 CYS CB C 29.434 0.15 1 59 17 17 CYS N N 124.652 0.1 1 60 18 18 VAL H H 9.504 0.02 1 61 18 18 VAL C C 171.442 0.15 1 62 18 18 VAL CA C 57.746 0.15 1 63 18 18 VAL CB C 34.619 0.15 1 64 18 18 VAL N N 129.860 0.1 1 65 19 19 GLY H H 8.937 0.02 1 66 19 19 GLY C C 171.277 0.15 1 67 19 19 GLY CA C 43.313 0.15 1 68 19 19 GLY N N 111.885 0.1 1 69 20 20 VAL H H 8.897 0.02 1 70 20 20 VAL C C 171.281 0.15 1 71 20 20 VAL CA C 58.883 0.15 1 72 20 20 VAL CB C 34.967 0.15 1 73 20 20 VAL N N 118.065 0.1 1 74 21 21 PHE H H 9.419 0.02 1 75 21 21 PHE C C 174.444 0.15 1 76 21 21 PHE CA C 56.009 0.15 1 77 21 21 PHE CB C 39.381 0.15 1 78 21 21 PHE N N 131.885 0.1 1 79 22 22 GLN H H 8.595 0.02 1 80 22 22 GLN CA C 54.276 0.15 1 81 22 22 GLN CB C 30.812 0.15 1 82 22 22 GLN N N 126.106 0.1 1 83 23 23 HIS C C 175.693 0.15 1 84 23 23 HIS CA C 55.439 0.15 1 85 23 23 HIS CB C 27.115 0.15 1 86 24 24 GLY H H 7.457 0.02 1 87 24 24 GLY C C 172.975 0.15 1 88 24 24 GLY CA C 45.221 0.15 1 89 24 24 GLY N N 102.930 0.1 1 90 25 25 LYS H H 7.142 0.02 1 91 25 25 LYS C C 173.441 0.15 1 92 25 25 LYS CA C 53.916 0.15 1 93 25 25 LYS CB C 34.462 0.15 1 94 25 25 LYS N N 120.088 0.1 1 95 26 26 VAL H H 7.999 0.02 1 96 26 26 VAL C C 175.586 0.15 1 97 26 26 VAL CA C 61.546 0.15 1 98 26 26 VAL CB C 31.342 0.15 1 99 26 26 VAL N N 120.570 0.1 1 100 27 27 GLU H H 8.903 0.02 1 101 27 27 GLU C C 174.915 0.15 1 102 27 27 GLU CA C 53.880 0.15 1 103 27 27 GLU CB C 30.011 0.15 1 104 27 27 GLU N N 129.052 0.1 1 105 28 28 ILE H H 8.350 0.02 1 106 28 28 ILE C C 175.894 0.15 1 107 28 28 ILE CA C 57.525 0.15 1 108 28 28 ILE CB C 33.712 0.15 1 109 28 28 ILE N N 128.088 0.1 1 110 29 29 ILE H H 8.216 0.02 1 111 29 29 ILE C C 174.779 0.15 1 112 29 29 ILE CA C 61.523 0.15 1 113 29 29 ILE CB C 37.250 0.15 1 114 29 29 ILE N N 129.153 0.1 1 115 30 30 ALA H H 8.191 0.02 1 116 30 30 ALA C C 176.736 0.15 1 117 30 30 ALA CA C 50.412 0.15 1 118 30 30 ALA CB C 18.348 0.15 1 119 30 30 ALA N N 128.398 0.1 1 120 31 31 ASN H H 8.250 0.02 1 121 31 31 ASN C C 176.235 0.15 1 122 31 31 ASN CB C 37.886 0.15 1 123 31 31 ASN N N 117.053 0.1 1 124 33 33 GLN C C 175.644 0.15 1 125 33 33 GLN CA C 54.495 0.15 1 126 33 33 GLN CB C 28.064 0.15 1 127 34 34 GLY H H 8.141 0.02 1 128 34 34 GLY C C 173.933 0.15 1 129 34 34 GLY CA C 44.735 0.15 1 130 34 34 GLY N N 107.350 0.1 1 131 35 35 ASN H H 7.716 0.02 1 132 35 35 ASN C C 176.828 0.15 1 133 35 35 ASN CA C 52.182 0.15 1 134 35 35 ASN CB C 39.912 0.15 1 135 35 35 ASN N N 118.156 0.1 1 136 37 37 THR H H 7.408 0.02 1 137 37 37 THR C C 173.599 0.15 1 138 37 37 THR CA C 59.479 0.15 1 139 37 37 THR CB C 70.860 0.15 1 140 37 37 THR N N 109.815 0.1 1 141 38 38 THR H H 9.445 0.02 1 142 38 38 THR C C 171.512 0.15 1 143 38 38 THR CA C 60.059 0.15 1 144 38 38 THR CB C 72.874 0.15 1 145 38 38 THR N N 118.725 0.1 1 146 39 39 PRO C C 177.655 0.15 1 147 39 39 PRO CA C 62.668 0.15 1 148 39 39 PRO CB C 31.783 0.15 1 149 40 40 SER H H 8.717 0.02 1 150 40 40 SER C C 173.309 0.15 1 151 40 40 SER CA C 55.509 0.15 1 152 40 40 SER CB C 61.153 0.15 1 153 40 40 SER N N 123.310 0.1 1 154 41 41 TYR H H 8.305 0.02 1 155 41 41 TYR C C 174.386 0.15 1 156 41 41 TYR CA C 55.613 0.15 1 157 41 41 TYR CB C 43.993 0.15 1 158 41 41 TYR N N 125.162 0.1 1 159 42 42 VAL H H 8.555 0.02 1 160 42 42 VAL C C 172.772 0.15 1 161 42 42 VAL CA C 59.970 0.15 1 162 42 42 VAL CB C 34.429 0.15 1 163 42 42 VAL N N 119.008 0.1 1 164 43 43 ALA H H 9.236 0.02 1 165 43 43 ALA C C 174.052 0.15 1 166 43 43 ALA CA C 49.315 0.15 1 167 43 43 ALA CB C 24.320 0.15 1 168 43 43 ALA N N 126.826 0.1 1 169 44 44 PHE H H 8.140 0.02 1 170 44 44 PHE C C 174.907 0.15 1 171 44 44 PHE CA C 56.591 0.15 1 172 44 44 PHE CB C 40.217 0.15 1 173 44 44 PHE N N 120.131 0.1 1 174 45 45 THR H H 8.779 0.02 1 175 45 45 THR C C 174.477 0.15 1 176 45 45 THR CA C 58.653 0.15 1 177 45 45 THR CB C 70.795 0.15 1 178 45 45 THR N N 114.720 0.1 1 179 46 46 ASP H H 8.730 0.02 1 180 46 46 ASP C C 176.762 0.15 1 181 46 46 ASP CA C 56.270 0.15 1 182 46 46 ASP CB C 39.962 0.15 1 183 46 46 ASP N N 116.291 0.1 1 184 47 47 THR H H 8.358 0.02 1 185 47 47 THR C C 174.679 0.15 1 186 47 47 THR CA C 61.516 0.15 1 187 47 47 THR CB C 70.987 0.15 1 188 47 47 THR N N 106.854 0.1 1 189 48 48 GLU CA C 55.561 0.15 1 190 49 49 ARG H H 8.412 0.02 1 191 49 49 ARG C C 174.999 0.15 1 192 49 49 ARG CA C 53.888 0.15 1 193 49 49 ARG CB C 30.409 0.15 1 194 49 49 ARG N N 121.866 0.1 1 195 50 50 LEU H H 9.032 0.02 1 196 50 50 LEU C C 175.438 0.15 1 197 50 50 LEU CA C 52.200 0.15 1 198 50 50 LEU CB C 43.506 0.15 1 199 50 50 LEU N N 127.285 0.1 1 200 51 51 ILE H H 8.758 0.02 1 201 51 51 ILE C C 176.308 0.15 1 202 51 51 ILE CA C 59.498 0.15 1 203 51 51 ILE CB C 40.264 0.15 1 204 51 51 ILE N N 121.431 0.1 1 205 52 52 GLY H H 8.925 0.02 1 206 52 52 GLY C C 176.330 0.15 1 207 52 52 GLY CA C 45.099 0.15 1 208 52 52 GLY N N 114.107 0.1 1 209 54 54 ALA C C 179.898 0.15 1 210 54 54 ALA CA C 54.153 0.15 1 211 54 54 ALA CB C 18.057 0.15 1 212 55 55 ALA H H 6.414 0.02 1 213 55 55 ALA C C 179.279 0.15 1 214 55 55 ALA CA C 52.700 0.15 1 215 55 55 ALA CB C 18.645 0.15 1 216 55 55 ALA N N 116.038 0.1 1 217 56 56 LYS H H 7.904 0.02 1 218 56 56 LYS C C 178.455 0.15 1 219 56 56 LYS CA C 59.193 0.15 1 220 56 56 LYS CB C 30.878 0.15 1 221 56 56 LYS N N 121.772 0.1 1 222 57 57 ASN H H 8.439 0.02 1 223 57 57 ASN C C 176.474 0.15 1 224 57 57 ASN CA C 54.591 0.15 1 225 57 57 ASN CB C 37.333 0.15 1 226 57 57 ASN N N 115.207 0.1 1 227 58 58 GLN H H 7.143 0.02 1 228 58 58 GLN C C 175.979 0.15 1 229 58 58 GLN CA C 53.607 0.15 1 230 58 58 GLN CB C 28.234 0.15 1 231 58 58 GLN N N 112.386 0.1 1 232 59 59 VAL H H 7.192 0.02 1 233 59 59 VAL C C 175.379 0.15 1 234 59 59 VAL CA C 65.110 0.15 1 235 59 59 VAL CB C 31.012 0.15 1 236 59 59 VAL N N 121.961 0.1 1 237 60 60 ALA H H 8.410 0.02 1 238 60 60 ALA C C 178.766 0.15 1 239 60 60 ALA CA C 53.684 0.15 1 240 60 60 ALA CB C 17.580 0.15 1 241 60 60 ALA N N 119.792 0.1 1 242 61 61 MET H H 7.354 0.02 1 243 61 61 MET C C 175.886 0.15 1 244 61 61 MET CA C 54.816 0.15 1 245 61 61 MET CB C 31.760 0.15 1 246 61 61 MET N N 113.338 0.1 1 247 62 62 ASN H H 7.458 0.02 1 248 62 62 ASN C C 173.559 0.15 1 249 62 62 ASN CA C 50.721 0.15 1 250 62 62 ASN CB C 38.489 0.15 1 251 62 62 ASN N N 117.929 0.1 1 252 63 63 PRO CA C 65.520 0.15 1 253 63 63 PRO CB C 30.683 0.15 1 254 64 64 THR H H 8.063 0.02 1 255 64 64 THR C C 174.367 0.15 1 256 64 64 THR CA C 63.612 0.15 1 257 64 64 THR CB C 67.957 0.15 1 258 64 64 THR N N 107.230 0.1 1 259 65 65 ASN H H 6.636 0.02 1 260 65 65 ASN C C 173.616 0.15 1 261 65 65 ASN CA C 51.972 0.15 1 262 65 65 ASN CB C 40.520 0.15 1 263 65 65 ASN N N 115.544 0.1 1 264 66 66 THR H H 7.174 0.02 1 265 66 66 THR C C 171.823 0.15 1 266 66 66 THR CA C 62.658 0.15 1 267 66 66 THR CB C 68.231 0.15 1 268 66 66 THR N N 117.938 0.1 1 269 67 67 VAL H H 9.405 0.02 1 270 67 67 VAL C C 171.974 0.15 1 271 67 67 VAL CA C 60.711 0.15 1 272 67 67 VAL CB C 31.700 0.15 1 273 67 67 VAL N N 125.083 0.1 1 274 68 68 PHE H H 5.790 0.02 1 275 68 68 PHE C C 171.958 0.15 1 276 68 68 PHE CA C 53.626 0.15 1 277 68 68 PHE CB C 35.528 0.15 1 278 68 68 PHE N N 120.230 0.1 1 279 69 69 ASP H H 8.550 0.02 1 280 69 69 ASP C C 176.506 0.15 1 281 69 69 ASP CA C 55.974 0.15 1 282 69 69 ASP CB C 39.010 0.15 1 283 69 69 ASP N N 111.854 0.1 1 284 70 70 ALA H H 7.797 0.02 1 285 70 70 ALA C C 179.278 0.15 1 286 70 70 ALA CA C 55.100 0.15 1 287 70 70 ALA CB C 15.822 0.15 1 288 70 70 ALA N N 120.459 0.1 1 289 71 71 LYS H H 8.114 0.02 1 290 71 71 LYS C C 177.741 0.15 1 291 71 71 LYS CA C 58.608 0.15 1 292 71 71 LYS CB C 34.217 0.15 1 293 71 71 LYS N N 117.890 0.1 1 294 72 72 ARG H H 8.013 0.02 1 295 72 72 ARG C C 176.952 0.15 1 296 72 72 ARG CA C 57.746 0.15 1 297 72 72 ARG CB C 28.475 0.15 1 298 72 72 ARG N N 114.880 0.1 1 299 73 73 LEU H H 7.415 0.02 1 300 73 73 LEU C C 177.301 0.15 1 301 73 73 LEU CA C 54.430 0.15 1 302 73 73 LEU CB C 45.119 0.15 1 303 73 73 LEU N N 115.822 0.1 1 304 74 74 ILE H H 7.247 0.02 1 305 74 74 ILE C C 175.634 0.15 1 306 74 74 ILE CA C 62.710 0.15 1 307 74 74 ILE CB C 37.930 0.15 1 308 74 74 ILE N N 120.869 0.1 1 309 75 75 GLY H H 9.340 0.02 1 310 75 75 GLY C C 173.517 0.15 1 311 75 75 GLY CA C 45.809 0.15 1 312 75 75 GLY N N 112.796 0.1 1 313 76 76 ARG H H 7.697 0.02 1 314 76 76 ARG C C 176.314 0.15 1 315 76 76 ARG CA C 54.855 0.15 1 316 76 76 ARG CB C 31.490 0.15 1 317 76 76 ARG N N 119.277 0.1 1 318 77 77 ARG H H 8.731 0.02 1 319 77 77 ARG C C 176.760 0.15 1 320 77 77 ARG CA C 54.482 0.15 1 321 77 77 ARG CB C 30.388 0.15 1 322 77 77 ARG N N 120.171 0.1 1 323 78 78 PHE H H 8.576 0.02 1 324 78 78 PHE C C 174.027 0.15 1 325 78 78 PHE CA C 61.641 0.15 1 326 78 78 PHE CB C 39.029 0.15 1 327 78 78 PHE N N 121.111 0.1 1 328 79 79 ASP H H 8.239 0.02 1 329 79 79 ASP C C 175.902 0.15 1 330 79 79 ASP CA C 53.054 0.15 1 331 79 79 ASP CB C 39.380 0.15 1 332 79 79 ASP N N 111.634 0.1 1 333 80 80 ASP H H 7.229 0.02 1 334 80 80 ASP C C 177.076 0.15 1 335 80 80 ASP CA C 54.328 0.15 1 336 80 80 ASP CB C 41.372 0.15 1 337 80 80 ASP N N 123.042 0.1 1 338 81 81 ALA H H 8.858 0.02 1 339 81 81 ALA C C 180.607 0.15 1 340 81 81 ALA CA C 54.842 0.15 1 341 81 81 ALA CB C 17.550 0.15 1 342 81 81 ALA N N 130.177 0.1 1 343 82 82 VAL H H 8.721 0.02 1 344 82 82 VAL C C 177.003 0.15 1 345 82 82 VAL CA C 65.255 0.15 1 346 82 82 VAL CB C 30.979 0.15 1 347 82 82 VAL N N 118.418 0.1 1 348 83 83 VAL H H 6.601 0.02 1 349 83 83 VAL C C 178.112 0.15 1 350 83 83 VAL CA C 64.710 0.15 1 351 83 83 VAL CB C 30.722 0.15 1 352 83 83 VAL N N 122.193 0.1 1 353 84 84 GLN H H 7.706 0.02 1 354 84 84 GLN C C 178.144 0.15 1 355 84 84 GLN CA C 57.083 0.15 1 356 84 84 GLN CB C 27.508 0.15 1 357 84 84 GLN N N 114.421 0.1 1 358 85 85 SER H H 7.597 0.02 1 359 85 85 SER C C 176.775 0.15 1 360 85 85 SER CA C 60.062 0.15 1 361 85 85 SER CB C 62.278 0.15 1 362 85 85 SER N N 112.687 0.1 1 363 86 86 ASP H H 8.347 0.02 1 364 86 86 ASP C C 178.232 0.15 1 365 86 86 ASP CA C 56.576 0.15 1 366 86 86 ASP CB C 39.248 0.15 1 367 86 86 ASP N N 123.521 0.1 1 368 87 87 MET H H 7.797 0.02 1 369 87 87 MET C C 177.843 0.15 1 370 87 87 MET CA C 57.966 0.15 1 371 87 87 MET CB C 32.176 0.15 1 372 87 87 MET N N 115.548 0.1 1 373 88 88 LYS H H 6.744 0.02 1 374 88 88 LYS C C 177.071 0.15 1 375 88 88 LYS CA C 57.084 0.15 1 376 88 88 LYS CB C 30.638 0.15 1 377 88 88 LYS N N 116.727 0.1 1 378 89 89 HIS H H 7.229 0.02 1 379 89 89 HIS C C 175.326 0.15 1 380 89 89 HIS CA C 54.552 0.15 1 381 89 89 HIS CB C 29.534 0.15 1 382 89 89 HIS N N 114.917 0.1 1 383 90 90 TRP H H 6.887 0.02 1 384 90 90 TRP C C 181.800 0.15 1 385 90 90 TRP CA C 52.775 0.15 1 386 90 90 TRP CB C 28.185 0.15 1 387 90 90 TRP N N 122.194 0.1 1 388 91 91 PRO C C 176.109 0.15 1 389 91 91 PRO CA C 62.443 0.15 1 390 91 91 PRO CB C 30.932 0.15 1 391 92 92 PHE H H 6.017 0.02 1 392 92 92 PHE C C 173.255 0.15 1 393 92 92 PHE CA C 52.611 0.15 1 394 92 92 PHE CB C 39.201 0.15 1 395 92 92 PHE N N 115.785 0.1 1 396 93 93 MET H H 8.892 0.02 1 397 93 93 MET C C 174.912 0.15 1 398 93 93 MET CA C 55.143 0.15 1 399 93 93 MET CB C 33.239 0.15 1 400 93 93 MET N N 121.495 0.1 1 401 94 94 VAL H H 8.214 0.02 1 402 94 94 VAL C C 175.370 0.15 1 403 94 94 VAL CA C 60.667 0.15 1 404 94 94 VAL CB C 32.576 0.15 1 405 94 94 VAL N N 125.991 0.1 1 406 95 95 VAL H H 9.373 0.02 1 407 95 95 VAL C C 173.239 0.15 1 408 95 95 VAL CA C 58.224 0.15 1 409 95 95 VAL CB C 33.693 0.15 1 410 95 95 VAL N N 119.935 0.1 1 411 96 96 ASN H H 7.844 0.02 1 412 96 96 ASN C C 175.557 0.15 1 413 96 96 ASN CA C 51.265 0.15 1 414 96 96 ASN CB C 37.182 0.15 1 415 96 96 ASN N N 118.691 0.1 1 416 97 97 ASP H H 9.124 0.02 1 417 97 97 ASP C C 175.621 0.15 1 418 97 97 ASP CA C 52.755 0.15 1 419 97 97 ASP CB C 41.697 0.15 1 420 97 97 ASP N N 129.134 0.1 1 421 98 98 ALA H H 8.685 0.02 1 422 98 98 ALA C C 176.678 0.15 1 423 98 98 ALA CA C 52.429 0.15 1 424 98 98 ALA CB C 16.079 0.15 1 425 98 98 ALA N N 127.590 0.1 1 426 99 99 GLY H H 8.295 0.02 1 427 99 99 GLY C C 175.190 0.15 1 428 99 99 GLY CA C 44.922 0.15 1 429 99 99 GLY N N 106.429 0.1 1 430 100 100 ARG H H 8.096 0.02 1 431 100 100 ARG C C 172.877 0.15 1 432 100 100 ARG CA C 53.043 0.15 1 433 100 100 ARG CB C 29.761 0.15 1 434 100 100 ARG N N 122.976 0.1 1 435 101 101 PRO C C 175.947 0.15 1 436 101 101 PRO CA C 61.603 0.15 1 437 101 101 PRO CB C 31.785 0.15 1 438 102 102 LYS H H 8.957 0.02 1 439 102 102 LYS C C 175.453 0.15 1 440 102 102 LYS CA C 54.775 0.15 1 441 102 102 LYS CB C 34.888 0.15 1 442 102 102 LYS N N 117.959 0.1 1 443 103 103 VAL H H 8.885 0.02 1 444 103 103 VAL C C 174.664 0.15 1 445 103 103 VAL CA C 60.104 0.15 1 446 103 103 VAL CB C 31.254 0.15 1 447 103 103 VAL N N 119.139 0.1 1 448 104 104 GLN H H 8.662 0.02 1 449 104 104 GLN C C 173.615 0.15 1 450 104 104 GLN CA C 54.304 0.15 1 451 104 104 GLN CB C 31.999 0.15 1 452 104 104 GLN N N 128.737 0.1 1 453 105 105 VAL H H 8.763 0.02 1 454 105 105 VAL C C 172.930 0.15 1 455 105 105 VAL CA C 58.608 0.15 1 456 105 105 VAL CB C 35.277 0.15 1 457 105 105 VAL N N 118.797 0.1 1 458 106 106 GLU H H 8.012 0.02 1 459 106 106 GLU C C 175.337 0.15 1 460 106 106 GLU CA C 54.211 0.15 1 461 106 106 GLU CB C 30.338 0.15 1 462 106 106 GLU N N 120.659 0.1 1 463 107 107 TYR H H 8.979 0.02 1 464 107 107 TYR C C 175.185 0.15 1 465 107 107 TYR CA C 53.641 0.15 1 466 107 107 TYR CB C 39.694 0.15 1 467 107 107 TYR N N 123.653 0.1 1 468 108 108 LYS H H 9.061 0.02 1 469 108 108 LYS C C 176.667 0.15 1 470 108 108 LYS CA C 56.800 0.15 1 471 108 108 LYS CB C 28.835 0.15 1 472 108 108 LYS N N 128.113 0.1 1 473 109 109 GLY H H 8.988 0.02 1 474 109 109 GLY C C 173.647 0.15 1 475 109 109 GLY CA C 45.099 0.15 1 476 109 109 GLY N N 104.658 0.1 1 477 110 110 GLU H H 7.557 0.02 1 478 110 110 GLU C C 174.632 0.15 1 479 110 110 GLU CA C 53.643 0.15 1 480 110 110 GLU CB C 32.494 0.15 1 481 110 110 GLU N N 119.724 0.1 1 482 111 111 THR H H 8.547 0.02 1 483 111 111 THR C C 174.334 0.15 1 484 111 111 THR CA C 62.767 0.15 1 485 111 111 THR CB C 68.029 0.15 1 486 111 111 THR N N 120.344 0.1 1 487 112 112 LYS H H 9.185 0.02 1 488 112 112 LYS C C 173.408 0.15 1 489 112 112 LYS CA C 52.623 0.15 1 490 112 112 LYS CB C 35.311 0.15 1 491 112 112 LYS N N 129.520 0.1 1 492 113 113 SER H H 7.852 0.02 1 493 113 113 SER C C 173.207 0.15 1 494 113 113 SER CA C 54.820 0.15 1 495 113 113 SER CB C 65.370 0.15 1 496 113 113 SER N N 113.558 0.1 1 497 114 114 PHE H H 8.690 0.02 1 498 114 114 PHE C C 176.016 0.15 1 499 114 114 PHE CA C 55.886 0.15 1 500 114 114 PHE CB C 42.670 0.15 1 501 114 114 PHE N N 117.690 0.1 1 502 115 115 TYR H H 10.097 0.02 1 503 115 115 TYR C C 176.245 0.15 1 504 115 115 TYR CA C 57.945 0.15 1 505 115 115 TYR CB C 36.122 0.15 1 506 115 115 TYR N N 124.302 0.1 1 507 116 116 PRO C C 177.479 0.15 1 508 116 116 PRO CB C 33.207 0.15 1 509 117 117 GLU H H 8.527 0.02 1 510 117 117 GLU C C 180.867 0.15 1 511 117 117 GLU CA C 59.191 0.15 1 512 117 117 GLU CB C 28.899 0.15 1 513 117 117 GLU N N 119.552 0.1 1 514 118 118 GLU H H 8.802 0.02 1 515 118 118 GLU C C 179.883 0.15 1 516 118 118 GLU CA C 58.656 0.15 1 517 118 118 GLU N N 119.228 0.1 1 518 119 119 VAL H H 7.606 0.02 1 519 119 119 VAL C C 178.811 0.15 1 520 119 119 VAL CA C 66.420 0.15 1 521 119 119 VAL CB C 29.689 0.15 1 522 119 119 VAL N N 122.878 0.1 1 523 120 120 SER H H 8.830 0.02 1 524 120 120 SER C C 176.368 0.15 1 525 120 120 SER CA C 62.216 0.15 1 526 120 120 SER CB C 61.204 0.15 1 527 120 120 SER N N 115.757 0.1 1 528 121 121 SER H H 8.239 0.02 1 529 121 121 SER C C 175.786 0.15 1 530 121 121 SER CA C 61.229 0.15 1 531 121 121 SER CB C 62.867 0.15 1 532 121 121 SER N N 119.331 0.1 1 533 122 122 MET H H 7.587 0.02 1 534 122 122 MET C C 178.166 0.15 1 535 122 122 MET CA C 58.902 0.15 1 536 122 122 MET CB C 30.332 0.15 1 537 122 122 MET N N 125.601 0.1 1 538 123 123 VAL H H 7.019 0.02 1 539 123 123 VAL C C 178.212 0.15 1 540 123 123 VAL CA C 66.440 0.15 1 541 123 123 VAL N N 121.012 0.1 1 542 124 124 LEU C C 178.488 0.15 1 543 124 124 LEU CA C 57.825 0.15 1 544 124 124 LEU CB C 40.567 0.15 1 545 125 125 THR H H 8.629 0.02 1 546 125 125 THR C C 175.549 0.15 1 547 125 125 THR CA C 67.080 0.15 1 548 125 125 THR CB C 68.028 0.15 1 549 125 125 THR N N 118.310 0.1 1 550 126 126 LYS H H 7.383 0.02 1 551 126 126 LYS C C 177.568 0.15 1 552 126 126 LYS CA C 57.079 0.15 1 553 126 126 LYS CB C 30.349 0.15 1 554 126 126 LYS N N 123.387 0.1 1 555 127 127 MET H H 8.009 0.02 1 556 127 127 MET CA C 56.260 0.15 1 557 127 127 MET CB C 29.607 0.15 1 558 127 127 MET N N 117.411 0.1 1 559 128 128 LYS C C 176.584 0.15 1 560 128 128 LYS CA C 55.110 0.15 1 561 128 128 LYS CB C 36.234 0.15 1 562 129 129 GLU H H 7.304 0.02 1 563 129 129 GLU C C 177.363 0.15 1 564 129 129 GLU CA C 55.964 0.15 1 565 129 129 GLU N N 125.551 0.1 1 566 130 130 ILE C C 179.287 0.15 1 567 130 130 ILE CA C 64.715 0.15 1 568 130 130 ILE CB C 38.053 0.15 1 569 131 131 ALA H H 8.027 0.02 1 570 131 131 ALA C C 178.946 0.15 1 571 131 131 ALA CA C 54.978 0.15 1 572 131 131 ALA CB C 17.049 0.15 1 573 131 131 ALA N N 124.992 0.1 1 574 132 132 GLU H H 8.907 0.02 1 575 132 132 GLU C C 180.496 0.15 1 576 132 132 GLU CA C 59.222 0.15 1 577 132 132 GLU CB C 28.371 0.15 1 578 132 132 GLU N N 119.772 0.1 1 579 133 133 ALA H H 8.340 0.02 1 580 133 133 ALA C C 179.305 0.15 1 581 133 133 ALA CA C 54.185 0.15 1 582 133 133 ALA CB C 17.133 0.15 1 583 133 133 ALA N N 123.334 0.1 1 584 134 134 TYR H H 7.309 0.02 1 585 134 134 TYR C C 177.479 0.15 1 586 134 134 TYR CA C 59.763 0.15 1 587 134 134 TYR CB C 39.395 0.15 1 588 134 134 TYR N N 118.057 0.1 1 589 135 135 LEU H H 8.680 0.02 1 590 135 135 LEU C C 178.539 0.15 1 591 135 135 LEU CA C 55.376 0.15 1 592 135 135 LEU CB C 42.829 0.15 1 593 135 135 LEU N N 117.084 0.1 1 594 136 136 GLY H H 8.455 0.02 1 595 136 136 GLY C C 173.323 0.15 1 596 136 136 GLY CA C 45.733 0.15 1 597 136 136 GLY N N 108.602 0.1 1 598 137 137 LYS H H 7.147 0.02 1 599 137 137 LYS C C 173.647 0.15 1 600 137 137 LYS CA C 53.459 0.15 1 601 137 137 LYS CB C 34.766 0.15 1 602 137 137 LYS N N 115.926 0.1 1 603 138 138 THR H H 7.907 0.02 1 604 138 138 THR C C 174.050 0.15 1 605 138 138 THR CA C 62.904 0.15 1 606 138 138 THR CB C 69.291 0.15 1 607 138 138 THR N N 114.735 0.1 1 608 139 139 VAL H H 10.218 0.02 1 609 139 139 VAL C C 174.005 0.15 1 610 139 139 VAL CA C 61.541 0.15 1 611 139 139 VAL CB C 32.642 0.15 1 612 139 139 VAL N N 130.242 0.1 1 613 140 140 THR H H 8.644 0.02 1 614 140 140 THR C C 173.526 0.15 1 615 140 140 THR CA C 61.760 0.15 1 616 140 140 THR CB C 70.339 0.15 1 617 140 140 THR N N 116.896 0.1 1 618 141 141 ASN H H 8.450 0.02 1 619 141 141 ASN C C 174.717 0.15 1 620 141 141 ASN CA C 52.487 0.15 1 621 141 141 ASN CB C 40.166 0.15 1 622 141 141 ASN N N 122.469 0.1 1 623 142 142 ALA H H 8.542 0.02 1 624 142 142 ALA C C 176.678 0.15 1 625 142 142 ALA CA C 50.190 0.15 1 626 142 142 ALA CB C 23.140 0.15 1 627 142 142 ALA N N 120.151 0.1 1 628 143 143 VAL H H 8.535 0.02 1 629 143 143 VAL C C 174.019 0.15 1 630 143 143 VAL CA C 61.504 0.15 1 631 143 143 VAL CB C 33.131 0.15 1 632 143 143 VAL N N 121.518 0.1 1 633 144 144 VAL H H 7.372 0.02 1 634 144 144 VAL C C 174.049 0.15 1 635 144 144 VAL CA C 59.233 0.15 1 636 144 144 VAL CB C 33.879 0.15 1 637 144 144 VAL N N 126.528 0.1 1 638 145 145 THR H H 7.827 0.02 1 639 145 145 THR C C 174.035 0.15 1 640 145 145 THR CA C 59.182 0.15 1 641 145 145 THR CB C 69.126 0.15 1 642 145 145 THR N N 115.978 0.1 1 643 146 146 VAL H H 7.840 0.02 1 644 146 146 VAL C C 173.045 0.15 1 645 146 146 VAL CA C 57.580 0.15 1 646 146 146 VAL CB C 32.766 0.15 1 647 146 146 VAL N N 108.087 0.1 1 648 147 147 PRO C C 177.417 0.15 1 649 147 147 PRO CA C 65.870 0.15 1 650 148 148 ALA H H 11.139 0.02 1 651 148 148 ALA C C 179.206 0.15 1 652 148 148 ALA N N 116.080 0.1 1 653 149 149 TYR H H 7.861 0.02 1 654 149 149 TYR C C 178.812 0.15 1 655 149 149 TYR CA C 57.170 0.15 1 656 149 149 TYR CB C 40.054 0.15 1 657 149 149 TYR N N 118.886 0.1 1 658 150 150 PHE H H 6.792 0.02 1 659 150 150 PHE C C 180.150 0.15 1 660 150 150 PHE CA C 55.612 0.15 1 661 150 150 PHE CB C 35.769 0.15 1 662 150 150 PHE N N 122.247 0.1 1 663 151 151 ASN H H 8.248 0.02 1 664 151 151 ASN C C 176.197 0.15 1 665 151 151 ASN CB C 38.443 0.15 1 666 151 151 ASN N N 122.071 0.1 1 667 152 152 ASP H H 8.558 0.02 1 668 152 152 ASP C C 178.655 0.15 1 669 152 152 ASP CA C 57.992 0.15 1 670 152 152 ASP CB C 39.720 0.15 1 671 152 152 ASP N N 117.977 0.1 1 672 153 153 SER H H 8.178 0.02 1 673 153 153 SER C C 177.820 0.15 1 674 153 153 SER CA C 61.227 0.15 1 675 153 153 SER CB C 62.005 0.15 1 676 153 153 SER N N 117.954 0.1 1 677 154 154 GLN H H 8.639 0.02 1 678 154 154 GLN C C 179.166 0.15 1 679 154 154 GLN CA C 58.908 0.15 1 680 154 154 GLN CB C 28.568 0.15 1 681 154 154 GLN N N 122.541 0.1 1 682 155 155 ARG H H 8.618 0.02 1 683 155 155 ARG C C 177.735 0.15 1 684 155 155 ARG CA C 60.629 0.15 1 685 155 155 ARG CB C 28.879 0.15 1 686 155 155 ARG N N 121.486 0.1 1 687 156 156 GLN H H 8.625 0.02 1 688 156 156 GLN C C 177.494 0.15 1 689 156 156 GLN CA C 57.962 0.15 1 690 156 156 GLN CB C 27.053 0.15 1 691 156 156 GLN N N 120.416 0.1 1 692 157 157 ALA H H 8.105 0.02 1 693 157 157 ALA C C 179.245 0.15 1 694 157 157 ALA CA C 54.289 0.15 1 695 157 157 ALA CB C 18.874 0.15 1 696 157 157 ALA N N 120.502 0.1 1 697 158 158 THR H H 7.366 0.02 1 698 158 158 THR C C 175.248 0.15 1 699 158 158 THR CA C 67.748 0.15 1 700 158 158 THR N N 115.521 0.1 1 701 159 159 LYS H H 8.020 0.02 1 702 159 159 LYS C C 178.766 0.15 1 703 159 159 LYS CA C 60.535 0.15 1 704 159 159 LYS CB C 30.624 0.15 1 705 159 159 LYS N N 123.622 0.1 1 706 160 160 ASP H H 8.950 0.02 1 707 160 160 ASP C C 177.865 0.15 1 708 160 160 ASP CA C 56.911 0.15 1 709 160 160 ASP CB C 38.836 0.15 1 710 160 160 ASP N N 120.714 0.1 1 711 161 161 ALA H H 7.973 0.02 1 712 161 161 ALA C C 179.305 0.15 1 713 161 161 ALA CA C 54.594 0.15 1 714 161 161 ALA CB C 17.317 0.15 1 715 161 161 ALA N N 122.279 0.1 1 716 162 162 GLY H H 7.727 0.02 1 717 162 162 GLY C C 174.254 0.15 1 718 162 162 GLY CA C 47.223 0.15 1 719 162 162 GLY N N 105.133 0.1 1 720 163 163 THR C C 179.507 0.15 1 721 163 163 THR CA C 66.234 0.15 1 722 163 163 THR CB C 67.954 0.15 1 723 164 164 ILE H H 8.903 0.02 1 724 164 164 ILE C C 177.564 0.15 1 725 164 164 ILE CA C 64.985 0.15 1 726 164 164 ILE CB C 37.589 0.15 1 727 164 164 ILE N N 125.506 0.1 1 728 165 165 ALA H H 7.339 0.02 1 729 165 165 ALA C C 176.232 0.15 1 730 165 165 ALA CA C 52.077 0.15 1 731 165 165 ALA CB C 18.682 0.15 1 732 165 165 ALA N N 120.913 0.1 1 733 166 166 GLY H H 7.878 0.02 1 734 166 166 GLY C C 174.719 0.15 1 735 166 166 GLY CA C 44.704 0.15 1 736 166 166 GLY N N 106.263 0.1 1 737 167 167 LEU H H 8.131 0.02 1 738 167 167 LEU C C 175.619 0.15 1 739 167 167 LEU CA C 52.307 0.15 1 740 167 167 LEU CB C 42.014 0.15 1 741 167 167 LEU N N 119.698 0.1 1 742 168 168 ASN H H 8.933 0.02 1 743 168 168 ASN C C 174.054 0.15 1 744 168 168 ASN CA C 51.883 0.15 1 745 168 168 ASN CB C 37.574 0.15 1 746 168 168 ASN N N 121.938 0.1 1 747 169 169 VAL H H 8.362 0.02 1 748 169 169 VAL C C 175.559 0.15 1 749 169 169 VAL CA C 61.522 0.15 1 750 169 169 VAL CB C 29.129 0.15 1 751 169 169 VAL N N 126.755 0.1 1 752 170 170 LEU H H 9.065 0.02 1 753 170 170 LEU C C 177.527 0.15 1 754 170 170 LEU CA C 56.274 0.15 1 755 170 170 LEU CB C 42.313 0.15 1 756 170 170 LEU N N 131.052 0.1 1 757 171 171 ARG H H 7.033 0.02 1 758 171 171 ARG C C 173.228 0.15 1 759 171 171 ARG CA C 54.862 0.15 1 760 171 171 ARG CB C 33.489 0.15 1 761 171 171 ARG N N 113.481 0.1 1 762 172 172 ILE H H 8.356 0.02 1 763 172 172 ILE C C 176.835 0.15 1 764 172 172 ILE CA C 57.963 0.15 1 765 172 172 ILE CB C 36.244 0.15 1 766 172 172 ILE N N 125.758 0.1 1 767 173 173 ILE H H 7.624 0.02 1 768 173 173 ILE C C 174.000 0.15 1 769 173 173 ILE CA C 57.464 0.15 1 770 173 173 ILE CB C 40.045 0.15 1 771 173 173 ILE N N 120.646 0.1 1 772 174 174 ASN H H 8.571 0.02 1 773 174 174 ASN C C 176.825 0.15 1 774 174 174 ASN CA C 51.361 0.15 1 775 174 174 ASN CB C 37.928 0.15 1 776 174 174 ASN N N 119.618 0.1 1 777 175 175 GLU H H 9.101 0.02 1 778 175 175 GLU C C 174.282 0.15 1 779 175 175 GLU CA C 60.463 0.15 1 780 175 175 GLU CB C 26.243 0.15 1 781 175 175 GLU N N 122.976 0.1 1 782 176 176 PRO C C 177.394 0.15 1 783 176 176 PRO CA C 65.060 0.15 1 784 176 176 PRO CB C 29.485 0.15 1 785 177 177 THR H H 6.546 0.02 1 786 177 177 THR C C 175.222 0.15 1 787 177 177 THR CA C 65.849 0.15 1 788 177 177 THR CB C 66.696 0.15 1 789 177 177 THR N N 115.093 0.1 1 790 178 178 ALA H H 8.128 0.02 1 791 178 178 ALA C C 178.986 0.15 1 792 178 178 ALA CA C 55.039 0.15 1 793 178 178 ALA CB C 17.510 0.15 1 794 178 178 ALA N N 123.362 0.1 1 795 179 179 ALA H H 8.616 0.02 1 796 179 179 ALA C C 177.867 0.15 1 797 179 179 ALA CA C 54.538 0.15 1 798 179 179 ALA N N 120.655 0.1 1 799 180 180 ALA H H 7.626 0.02 1 800 180 180 ALA C C 180.120 0.15 1 801 180 180 ALA CA C 54.783 0.15 1 802 180 180 ALA CB C 17.826 0.15 1 803 180 180 ALA N N 118.790 0.1 1 804 181 181 ILE H H 8.482 0.02 1 805 181 181 ILE C C 180.670 0.15 1 806 181 181 ILE CA C 64.739 0.15 1 807 181 181 ILE CB C 37.086 0.15 1 808 181 181 ILE N N 120.845 0.1 1 809 182 182 ALA H H 8.313 0.02 1 810 182 182 ALA C C 177.345 0.15 1 811 182 182 ALA CA C 55.391 0.15 1 812 182 182 ALA CB C 17.054 0.15 1 813 182 182 ALA N N 125.962 0.1 1 814 183 183 TYR H H 6.805 0.02 1 815 183 183 TYR C C 175.669 0.15 1 816 183 183 TYR CA C 59.732 0.15 1 817 183 183 TYR CB C 38.770 0.15 1 818 183 183 TYR N N 111.261 0.1 1 819 184 184 GLY H H 8.327 0.02 1 820 184 184 GLY C C 177.541 0.15 1 821 184 184 GLY CA C 45.932 0.15 1 822 184 184 GLY N N 110.093 0.1 1 823 185 185 LEU H H 7.908 0.02 1 824 185 185 LEU C C 176.084 0.15 1 825 185 185 LEU CA C 56.394 0.15 1 826 185 185 LEU CB C 39.595 0.15 1 827 185 185 LEU N N 117.574 0.1 1 828 186 186 ASP H H 9.787 0.02 1 829 186 186 ASP C C 175.749 0.15 1 830 186 186 ASP CA C 53.632 0.15 1 831 186 186 ASP CB C 38.244 0.15 1 832 186 186 ASP N N 113.967 0.1 1 833 187 187 LYS H H 7.193 0.02 1 834 187 187 LYS C C 176.658 0.15 1 835 187 187 LYS CA C 54.740 0.15 1 836 187 187 LYS CB C 31.132 0.15 1 837 187 187 LYS N N 118.847 0.1 1 838 188 188 LYS H H 7.349 0.02 1 839 188 188 LYS C C 176.179 0.15 1 840 188 188 LYS CA C 55.679 0.15 1 841 188 188 LYS CB C 31.171 0.15 1 842 188 188 LYS N N 121.806 0.1 1 843 189 189 VAL H H 8.123 0.02 1 844 189 189 VAL C C 176.378 0.15 1 845 189 189 VAL CA C 61.489 0.15 1 846 189 189 VAL CB C 32.095 0.15 1 847 189 189 VAL N N 121.940 0.1 1 848 190 190 GLY H H 8.488 0.02 1 849 190 190 GLY C C 173.208 0.15 1 850 190 190 GLY CA C 44.628 0.15 1 851 190 190 GLY N N 113.563 0.1 1 852 191 191 ALA H H 7.954 0.02 1 853 191 191 ALA C C 176.469 0.15 1 854 191 191 ALA CA C 51.594 0.15 1 855 191 191 ALA CB C 19.057 0.15 1 856 191 191 ALA N N 124.506 0.1 1 857 192 192 GLU H H 8.345 0.02 1 858 192 192 GLU C C 174.863 0.15 1 859 192 192 GLU CA C 55.912 0.15 1 860 192 192 GLU CB C 29.297 0.15 1 861 192 192 GLU N N 120.445 0.1 1 862 193 193 ARG H H 8.254 0.02 1 863 193 193 ARG C C 174.424 0.15 1 864 193 193 ARG CA C 53.765 0.15 1 865 193 193 ARG CB C 32.443 0.15 1 866 193 193 ARG N N 123.949 0.1 1 867 194 194 ASN H H 11.647 0.02 1 868 194 194 ASN C C 174.818 0.15 1 869 194 194 ASN CA C 51.881 0.15 1 870 194 194 ASN CB C 39.700 0.15 1 871 194 194 ASN N N 126.849 0.1 1 872 195 195 VAL H H 9.728 0.02 1 873 195 195 VAL C C 173.535 0.15 1 874 195 195 VAL CA C 59.520 0.15 1 875 195 195 VAL CB C 34.471 0.15 1 876 195 195 VAL N N 125.210 0.1 1 877 196 196 LEU H H 8.833 0.02 1 878 196 196 LEU C C 173.888 0.15 1 879 196 196 LEU CA C 53.458 0.15 1 880 196 196 LEU CB C 44.130 0.15 1 881 196 196 LEU N N 128.399 0.1 1 882 197 197 ILE H H 9.558 0.02 1 883 197 197 ILE C C 173.563 0.15 1 884 197 197 ILE CA C 58.791 0.15 1 885 197 197 ILE CB C 35.207 0.15 1 886 197 197 ILE N N 128.591 0.1 1 887 198 198 PHE H H 8.830 0.02 1 888 198 198 PHE C C 171.961 0.15 1 889 198 198 PHE CA C 56.869 0.15 1 890 198 198 PHE CB C 39.919 0.15 1 891 198 198 PHE N N 132.755 0.1 1 892 199 199 ASP H H 8.475 0.02 1 893 199 199 ASP C C 175.592 0.15 1 894 199 199 ASP CA C 51.017 0.15 1 895 199 199 ASP CB C 42.267 0.15 1 896 199 199 ASP N N 127.164 0.1 1 897 200 200 LEU H H 8.098 0.02 1 898 200 200 LEU C C 175.426 0.15 1 899 200 200 LEU CA C 53.208 0.15 1 900 200 200 LEU CB C 43.737 0.15 1 901 200 200 LEU N N 128.061 0.1 1 902 201 201 GLY H H 8.708 0.02 1 903 201 201 GLY C C 176.687 0.15 1 904 201 201 GLY CA C 44.329 0.15 1 905 201 201 GLY N N 115.464 0.1 1 906 204 204 THR C C 173.673 0.15 1 907 204 204 THR CA C 60.364 0.15 1 908 204 204 THR CB C 72.043 0.15 1 909 205 205 PHE H H 8.329 0.02 1 910 205 205 PHE C C 174.117 0.15 1 911 205 205 PHE CA C 52.533 0.15 1 912 205 205 PHE CB C 39.775 0.15 1 913 205 205 PHE N N 121.691 0.1 1 914 206 206 ASP H H 9.843 0.02 1 915 206 206 ASP C C 173.017 0.15 1 916 206 206 ASP CA C 53.427 0.15 1 917 206 206 ASP CB C 45.584 0.15 1 918 206 206 ASP N N 128.474 0.1 1 919 207 207 VAL H H 8.586 0.02 1 920 207 207 VAL C C 174.733 0.15 1 921 207 207 VAL CA C 59.772 0.15 1 922 207 207 VAL CB C 32.393 0.15 1 923 207 207 VAL N N 125.173 0.1 1 924 208 208 SER H H 8.489 0.02 1 925 208 208 SER C C 172.431 0.15 1 926 208 208 SER CA C 56.267 0.15 1 927 208 208 SER CB C 64.794 0.15 1 928 208 208 SER N N 119.708 0.1 1 929 209 209 ILE H H 8.804 0.02 1 930 209 209 ILE C C 174.711 0.15 1 931 209 209 ILE CA C 59.477 0.15 1 932 209 209 ILE CB C 36.273 0.15 1 933 209 209 ILE N N 124.747 0.1 1 934 210 210 LEU H H 9.473 0.02 1 935 210 210 LEU C C 176.020 0.15 1 936 210 210 LEU CA C 51.911 0.15 1 937 210 210 LEU CB C 44.265 0.15 1 938 210 210 LEU N N 128.501 0.1 1 939 211 211 THR H H 9.142 0.02 1 940 211 211 THR C C 173.878 0.15 1 941 211 211 THR CA C 61.123 0.15 1 942 211 211 THR CB C 70.584 0.15 1 943 211 211 THR N N 117.514 0.1 1 944 212 212 ILE H H 8.954 0.02 1 945 212 212 ILE C C 175.466 0.15 1 946 212 212 ILE CA C 59.166 0.15 1 947 212 212 ILE CB C 38.410 0.15 1 948 212 212 ILE N N 125.845 0.1 1 949 213 213 GLU H H 8.305 0.02 1 950 213 213 GLU C C 175.524 0.15 1 951 213 213 GLU CA C 55.184 0.15 1 952 213 213 GLU CB C 31.188 0.15 1 953 213 213 GLU N N 128.608 0.1 1 954 214 214 ASP H H 9.433 0.02 1 955 214 214 ASP C C 175.631 0.15 1 956 214 214 ASP CA C 55.077 0.15 1 957 214 214 ASP CB C 39.162 0.15 1 958 214 214 ASP N N 129.343 0.1 1 959 215 215 GLY H H 8.451 0.02 1 960 215 215 GLY C C 172.661 0.15 1 961 215 215 GLY CA C 45.062 0.15 1 962 215 215 GLY N N 103.253 0.1 1 963 216 216 ILE H H 7.700 0.02 1 964 216 216 ILE C C 175.627 0.15 1 965 216 216 ILE CA C 58.996 0.15 1 966 216 216 ILE CB C 37.318 0.15 1 967 216 216 ILE N N 121.941 0.1 1 968 217 217 PHE H H 8.792 0.02 1 969 217 217 PHE C C 175.893 0.15 1 970 217 217 PHE CA C 57.389 0.15 1 971 217 217 PHE CB C 40.248 0.15 1 972 217 217 PHE N N 126.174 0.1 1 973 218 218 GLU H H 8.986 0.02 1 974 218 218 GLU C C 175.520 0.15 1 975 218 218 GLU CA C 54.724 0.15 1 976 218 218 GLU CB C 31.772 0.15 1 977 218 218 GLU N N 124.163 0.1 1 978 219 219 VAL H H 8.973 0.02 1 979 219 219 VAL C C 175.947 0.15 1 980 219 219 VAL CA C 62.396 0.15 1 981 219 219 VAL CB C 29.902 0.15 1 982 219 219 VAL N N 126.493 0.1 1 983 220 220 LYS H H 9.393 0.02 1 984 220 220 LYS C C 176.998 0.15 1 985 220 220 LYS CA C 56.255 0.15 1 986 220 220 LYS CB C 32.399 0.15 1 987 220 220 LYS N N 130.854 0.1 1 988 221 221 SER H H 7.758 0.02 1 989 221 221 SER C C 172.243 0.15 1 990 221 221 SER CA C 57.146 0.15 1 991 221 221 SER CB C 64.304 0.15 1 992 221 221 SER N N 110.341 0.1 1 993 222 222 THR H H 8.005 0.02 1 994 222 222 THR C C 172.906 0.15 1 995 222 222 THR CA C 59.516 0.15 1 996 222 222 THR CB C 71.790 0.15 1 997 222 222 THR N N 109.515 0.1 1 998 223 223 ALA H H 9.283 0.02 1 999 223 223 ALA C C 175.446 0.15 1 1000 223 223 ALA CA C 50.572 0.15 1 1001 223 223 ALA CB C 22.159 0.15 1 1002 223 223 ALA N N 123.547 0.1 1 1003 224 224 GLY H H 8.565 0.02 1 1004 224 224 GLY C C 170.907 0.15 1 1005 224 224 GLY CA C 43.985 0.15 1 1006 224 224 GLY N N 115.783 0.1 1 1007 225 225 ASP H H 9.162 0.02 1 1008 225 225 ASP C C 176.352 0.15 1 1009 225 225 ASP CA C 53.378 0.15 1 1010 225 225 ASP CB C 43.337 0.15 1 1011 225 225 ASP N N 120.985 0.1 1 1012 226 226 THR H H 8.815 0.02 1 1013 226 226 THR C C 173.673 0.15 1 1014 226 226 THR CA C 62.653 0.15 1 1015 226 226 THR CB C 68.785 0.15 1 1016 226 226 THR N N 118.913 0.1 1 1017 227 227 HIS H H 9.579 0.02 1 1018 227 227 HIS C C 172.519 0.15 1 1019 227 227 HIS CA C 54.788 0.15 1 1020 227 227 HIS CB C 27.672 0.15 1 1021 227 227 HIS N N 123.043 0.1 1 1022 228 228 LEU H H 6.679 0.02 1 1023 228 228 LEU C C 172.251 0.15 1 1024 228 228 LEU CA C 54.218 0.15 1 1025 228 228 LEU CB C 42.680 0.15 1 1026 228 228 LEU N N 123.763 0.1 1 1027 229 229 GLY H H 8.515 0.02 1 1028 229 229 GLY C C 172.686 0.15 1 1029 229 229 GLY CA C 43.372 0.15 1 1030 229 229 GLY N N 107.682 0.1 1 1031 230 230 GLY H H 9.318 0.02 1 1032 230 230 GLY C C 175.742 0.15 1 1033 230 230 GLY CA C 47.226 0.15 1 1034 230 230 GLY N N 107.228 0.1 1 1035 231 231 GLU H H 9.341 0.02 1 1036 231 231 GLU C C 179.180 0.15 1 1037 231 231 GLU CA C 58.426 0.15 1 1038 231 231 GLU CB C 28.830 0.15 1 1039 231 231 GLU N N 121.061 0.1 1 1040 233 233 PHE C C 180.149 0.15 1 1041 233 233 PHE CA C 55.403 0.15 1 1042 233 233 PHE CB C 35.725 0.15 1 1043 234 234 ASP H H 8.269 0.02 1 1044 234 234 ASP C C 179.600 0.15 1 1045 234 234 ASP CA C 57.066 0.15 1 1046 234 234 ASP CB C 38.661 0.15 1 1047 234 234 ASP N N 122.241 0.1 1 1048 235 235 ASN H H 8.103 0.02 1 1049 235 235 ASN C C 178.005 0.15 1 1050 235 235 ASN CA C 55.691 0.15 1 1051 235 235 ASN CB C 37.559 0.15 1 1052 235 235 ASN N N 118.311 0.1 1 1053 236 236 ARG H H 7.729 0.02 1 1054 236 236 ARG C C 180.792 0.15 1 1055 236 236 ARG CA C 57.463 0.15 1 1056 236 236 ARG CB C 29.143 0.15 1 1057 236 236 ARG N N 119.419 0.1 1 1058 237 237 MET H H 7.648 0.02 1 1059 237 237 MET C C 176.869 0.15 1 1060 237 237 MET CA C 59.306 0.15 1 1061 237 237 MET CB C 33.729 0.15 1 1062 237 237 MET N N 119.276 0.1 1 1063 238 238 VAL H H 8.900 0.02 1 1064 238 238 VAL C C 177.789 0.15 1 1065 238 238 VAL CA C 66.745 0.15 1 1066 238 238 VAL CB C 30.611 0.15 1 1067 238 238 VAL N N 121.943 0.1 1 1068 239 239 ASN H H 8.129 0.02 1 1069 239 239 ASN C C 178.387 0.15 1 1070 239 239 ASN CA C 56.067 0.15 1 1071 239 239 ASN CB C 37.047 0.15 1 1072 239 239 ASN N N 117.381 0.1 1 1073 240 240 HIS H H 7.449 0.02 1 1074 240 240 HIS C C 177.599 0.15 1 1075 240 240 HIS CA C 59.287 0.15 1 1076 240 240 HIS CB C 30.318 0.15 1 1077 240 240 HIS N N 122.479 0.1 1 1078 241 241 PHE H H 8.465 0.02 1 1079 241 241 PHE C C 178.285 0.15 1 1080 241 241 PHE CA C 61.046 0.15 1 1081 241 241 PHE CB C 38.812 0.15 1 1082 241 241 PHE N N 119.647 0.1 1 1083 242 242 ILE C C 179.333 0.15 1 1084 242 242 ILE CA C 66.237 0.15 1 1085 242 242 ILE CB C 37.048 0.15 1 1086 243 243 ALA H H 7.466 0.02 1 1087 243 243 ALA C C 180.505 0.15 1 1088 243 243 ALA CA C 54.754 0.15 1 1089 243 243 ALA CB C 16.579 0.15 1 1090 243 243 ALA N N 123.825 0.1 1 1091 244 244 GLU H H 8.150 0.02 1 1092 244 244 GLU C C 178.142 0.15 1 1093 244 244 GLU CA C 59.265 0.15 1 1094 244 244 GLU CB C 29.613 0.15 1 1095 244 244 GLU N N 122.105 0.1 1 1096 245 245 PHE H H 9.051 0.02 1 1097 245 245 PHE C C 177.776 0.15 1 1098 245 245 PHE CA C 61.798 0.15 1 1099 245 245 PHE CB C 37.483 0.15 1 1100 245 245 PHE N N 122.447 0.1 1 1101 246 246 LYS H H 8.023 0.02 1 1102 246 246 LYS C C 179.555 0.15 1 1103 246 246 LYS CA C 59.208 0.15 1 1104 246 246 LYS CB C 31.767 0.15 1 1105 246 246 LYS N N 119.785 0.1 1 1106 247 247 ARG H H 8.119 0.02 1 1107 247 247 ARG C C 177.919 0.15 1 1108 247 247 ARG CA C 58.948 0.15 1 1109 247 247 ARG CB C 29.364 0.15 1 1110 247 247 ARG N N 121.185 0.1 1 1111 248 248 LYS H H 8.056 0.02 1 1112 248 248 LYS C C 177.894 0.15 1 1113 248 248 LYS CA C 58.305 0.15 1 1114 248 248 LYS CB C 32.760 0.15 1 1115 248 248 LYS N N 116.981 0.1 1 1116 249 249 HIS H H 8.229 0.02 1 1117 249 249 HIS C C 175.193 0.15 1 1118 249 249 HIS CA C 55.412 0.15 1 1119 249 249 HIS CB C 30.583 0.15 1 1120 249 249 HIS N N 114.403 0.1 1 1121 250 250 LYS H H 7.956 0.02 1 1122 250 250 LYS C C 175.324 0.15 1 1123 250 250 LYS CA C 56.878 0.15 1 1124 250 250 LYS CB C 27.458 0.15 1 1125 250 250 LYS N N 115.365 0.1 1 1126 251 251 LYS H H 6.647 0.02 1 1127 251 251 LYS C C 174.170 0.15 1 1128 251 251 LYS CA C 53.588 0.15 1 1129 251 251 LYS CB C 35.888 0.15 1 1130 251 251 LYS N N 115.173 0.1 1 1131 252 252 ASP H H 8.698 0.02 1 1132 252 252 ASP C C 176.687 0.15 1 1133 252 252 ASP CA C 51.420 0.15 1 1134 252 252 ASP CB C 40.967 0.15 1 1135 252 252 ASP N N 122.679 0.1 1 1136 253 253 ILE H H 8.138 0.02 1 1137 253 253 ILE C C 176.465 0.15 1 1138 253 253 ILE CA C 61.253 0.15 1 1139 253 253 ILE CB C 36.838 0.15 1 1140 253 253 ILE N N 120.028 0.1 1 1141 254 254 SER H H 8.114 0.02 1 1142 254 254 SER C C 174.714 0.15 1 1143 254 254 SER CA C 61.789 0.15 1 1144 254 254 SER CB C 62.434 0.15 1 1145 254 254 SER N N 115.173 0.1 1 1146 255 255 GLU H H 8.005 0.02 1 1147 255 255 GLU C C 175.553 0.15 1 1148 255 255 GLU CA C 55.709 0.15 1 1149 255 255 GLU CB C 28.438 0.15 1 1150 255 255 GLU N N 118.303 0.1 1 1151 256 256 ASN H H 8.182 0.02 1 1152 256 256 ASN C C 173.302 0.15 1 1153 256 256 ASN CA C 52.223 0.15 1 1154 256 256 ASN CB C 38.238 0.15 1 1155 256 256 ASN N N 122.177 0.1 1 1156 257 257 LYS H H 8.506 0.02 1 1157 257 257 LYS C C 179.158 0.15 1 1158 257 257 LYS CA C 59.086 0.15 1 1159 257 257 LYS CB C 30.946 0.15 1 1160 257 257 LYS N N 125.056 0.1 1 1161 258 258 ARG H H 8.354 0.02 1 1162 258 258 ARG C C 177.684 0.15 1 1163 258 258 ARG CA C 59.492 0.15 1 1164 258 258 ARG CB C 28.660 0.15 1 1165 258 258 ARG N N 121.070 0.1 1 1166 259 259 ALA H H 8.248 0.02 1 1167 259 259 ALA C C 179.706 0.15 1 1168 259 259 ALA CA C 54.726 0.15 1 1169 259 259 ALA CB C 17.266 0.15 1 1170 259 259 ALA N N 123.220 0.1 1 1171 260 260 VAL H H 8.077 0.02 1 1172 260 260 VAL C C 177.885 0.15 1 1173 260 260 VAL CA C 67.016 0.15 1 1174 260 260 VAL CB C 30.633 0.15 1 1175 260 260 VAL N N 117.013 0.1 1 1176 261 261 ARG H H 8.092 0.02 1 1177 261 261 ARG C C 179.296 0.15 1 1178 261 261 ARG CA C 58.571 0.15 1 1179 261 261 ARG CB C 28.584 0.15 1 1180 261 261 ARG N N 119.741 0.1 1 1181 262 262 ARG H H 8.078 0.02 1 1182 262 262 ARG C C 180.179 0.15 1 1183 262 262 ARG CA C 59.458 0.15 1 1184 262 262 ARG CB C 29.306 0.15 1 1185 263 263 LEU H H 8.452 0.02 1 1186 263 263 LEU C C 178.268 0.15 1 1187 263 263 LEU CA C 57.143 0.15 1 1188 263 263 LEU CB C 41.206 0.15 1 1189 263 263 LEU N N 122.795 0.1 1 1190 264 264 ARG H H 9.148 0.02 1 1191 264 264 ARG C C 178.002 0.15 1 1192 264 264 ARG CA C 60.440 0.15 1 1193 264 264 ARG CB C 29.120 0.15 1 1194 264 264 ARG N N 123.992 0.1 1 1195 265 265 THR H H 8.300 0.02 1 1196 265 265 THR C C 176.844 0.15 1 1197 265 265 THR CA C 66.048 0.15 1 1198 265 265 THR CB C 68.280 0.15 1 1199 265 265 THR N N 116.926 0.1 1 1200 266 266 ALA H H 7.559 0.02 1 1201 266 266 ALA C C 180.992 0.15 1 1202 266 266 ALA CA C 54.408 0.15 1 1203 266 266 ALA CB C 17.780 0.15 1 1204 266 266 ALA N N 123.932 0.1 1 1205 267 267 CYS H H 8.798 0.02 1 1206 267 267 CYS CB C 45.791 0.15 1 1207 267 267 CYS N N 119.114 0.1 1 1208 268 268 GLU H H 8.338 0.02 1 1209 268 268 GLU C C 178.166 0.15 1 1210 268 268 GLU CA C 60.079 0.15 1 1211 268 268 GLU CB C 27.347 0.15 1 1212 268 268 GLU N N 123.428 0.1 1 1213 269 269 ARG H H 7.138 0.02 1 1214 269 269 ARG C C 178.991 0.15 1 1215 269 269 ARG CA C 58.801 0.15 1 1216 269 269 ARG CB C 28.890 0.15 1 1217 269 269 ARG N N 117.000 0.1 1 1218 270 270 ALA H H 7.930 0.02 1 1219 270 270 ALA C C 178.593 0.15 1 1220 270 270 ALA CA C 54.209 0.15 1 1221 270 270 ALA CB C 17.153 0.15 1 1222 270 270 ALA N N 123.500 0.1 1 1223 271 271 LYS H H 8.505 0.02 1 1224 271 271 LYS C C 178.510 0.15 1 1225 271 271 LYS CA C 58.885 0.15 1 1226 271 271 LYS CB C 29.095 0.15 1 1227 271 271 LYS N N 118.554 0.1 1 1228 272 272 ARG H H 7.166 0.02 1 1229 272 272 ARG C C 180.765 0.15 1 1230 272 272 ARG CA C 59.359 0.15 1 1231 272 272 ARG CB C 28.308 0.15 1 1232 272 272 ARG N N 116.429 0.1 1 1233 273 273 THR H H 7.767 0.02 1 1234 273 273 THR C C 176.107 0.15 1 1235 273 273 THR CA C 66.295 0.15 1 1236 273 273 THR CB C 67.933 0.15 1 1237 273 273 THR N N 120.839 0.1 1 1238 274 274 LEU H H 7.879 0.02 1 1239 274 274 LEU C C 178.892 0.15 1 1240 274 274 LEU CA C 55.379 0.15 1 1241 274 274 LEU CB C 40.756 0.15 1 1242 274 274 LEU N N 120.952 0.1 1 1243 278 278 THR C C 174.409 0.15 1 1244 278 278 THR CA C 62.628 0.15 1 1245 278 278 THR CB C 68.413 0.15 1 1246 279 279 GLN H H 7.627 0.02 1 1247 279 279 GLN C C 172.470 0.15 1 1248 279 279 GLN CA C 55.087 0.15 1 1249 279 279 GLN CB C 30.574 0.15 1 1250 279 279 GLN N N 119.804 0.1 1 1251 280 280 ALA H H 8.632 0.02 1 1252 280 280 ALA C C 175.297 0.15 1 1253 280 280 ALA CA C 50.693 0.15 1 1254 280 280 ALA CB C 22.319 0.15 1 1255 280 280 ALA N N 123.234 0.1 1 1256 281 281 SER H H 8.675 0.02 1 1257 281 281 SER C C 172.994 0.15 1 1258 281 281 SER CA C 57.144 0.15 1 1259 281 281 SER CB C 63.939 0.15 1 1260 281 281 SER N N 116.627 0.1 1 1261 282 282 ILE H H 8.219 0.02 1 1262 282 282 ILE C C 173.692 0.15 1 1263 282 282 ILE CA C 59.443 0.15 1 1264 282 282 ILE CB C 38.454 0.15 1 1265 282 282 ILE N N 125.583 0.1 1 1266 283 283 GLU H H 8.438 0.02 1 1267 283 283 GLU C C 174.510 0.15 1 1268 283 283 GLU CA C 54.036 0.15 1 1269 283 283 GLU CB C 30.230 0.15 1 1270 283 283 GLU N N 126.789 0.1 1 1271 284 284 ILE H H 8.364 0.02 1 1272 284 284 ILE C C 174.352 0.15 1 1273 284 284 ILE CA C 59.939 0.15 1 1274 284 284 ILE CB C 40.019 0.15 1 1275 284 284 ILE N N 124.636 0.1 1 1276 285 285 ASP H H 8.797 0.02 1 1277 285 285 ASP C C 176.629 0.15 1 1278 285 285 ASP CA C 53.523 0.15 1 1279 285 285 ASP CB C 39.942 0.15 1 1280 285 285 ASP N N 129.052 0.1 1 1281 286 286 SER H H 10.546 0.02 1 1282 286 286 SER C C 175.178 0.15 1 1283 286 286 SER CA C 57.459 0.15 1 1284 286 286 SER CB C 60.936 0.15 1 1285 286 286 SER N N 120.723 0.1 1 1286 287 287 LEU H H 8.194 0.02 1 1287 287 287 LEU C C 176.098 0.15 1 1288 287 287 LEU CA C 57.126 0.15 1 1289 287 287 LEU CB C 40.354 0.15 1 1290 287 287 LEU N N 123.579 0.1 1 1291 288 288 TYR H H 6.839 0.02 1 1292 288 288 TYR C C 173.886 0.15 1 1293 288 288 TYR CA C 56.944 0.15 1 1294 288 288 TYR CB C 41.289 0.15 1 1295 288 288 TYR N N 113.740 0.1 1 1296 289 289 GLU H H 8.798 0.02 1 1297 289 289 GLU C C 175.710 0.15 1 1298 289 289 GLU CA C 56.707 0.15 1 1299 289 289 GLU CB C 26.501 0.15 1 1300 289 289 GLU N N 126.805 0.1 1 1301 290 290 GLY H H 8.417 0.02 1 1302 290 290 GLY C C 174.242 0.15 1 1303 290 290 GLY CA C 44.959 0.15 1 1304 290 290 GLY N N 104.620 0.1 1 1305 291 291 ILE H H 8.170 0.02 1 1306 291 291 ILE C C 176.362 0.15 1 1307 291 291 ILE CA C 61.219 0.15 1 1308 291 291 ILE CB C 37.672 0.15 1 1309 291 291 ILE N N 124.119 0.1 1 1310 292 292 ASP H H 8.582 0.02 1 1311 292 292 ASP C C 174.887 0.15 1 1312 292 292 ASP CA C 53.724 0.15 1 1313 292 292 ASP CB C 41.115 0.15 1 1314 292 292 ASP N N 129.319 0.1 1 1315 293 293 PHE H H 9.364 0.02 1 1316 293 293 PHE C C 171.507 0.15 1 1317 293 293 PHE CA C 54.831 0.15 1 1318 293 293 PHE CB C 41.625 0.15 1 1319 293 293 PHE N N 123.104 0.1 1 1320 294 294 TYR H H 8.467 0.02 1 1321 294 294 TYR C C 174.828 0.15 1 1322 294 294 TYR CA C 54.997 0.15 1 1323 294 294 TYR CB C 37.703 0.15 1 1324 294 294 TYR N N 129.922 0.1 1 1325 295 295 THR H H 8.809 0.02 1 1326 295 295 THR C C 172.501 0.15 1 1327 295 295 THR CA C 58.822 0.15 1 1328 295 295 THR CB C 67.646 0.15 1 1329 295 295 THR N N 119.589 0.1 1 1330 296 296 SER H H 8.850 0.02 1 1331 296 296 SER C C 171.725 0.15 1 1332 296 296 SER CA C 56.647 0.15 1 1333 296 296 SER CB C 65.251 0.15 1 1334 296 296 SER N N 117.296 0.1 1 1335 297 297 ILE H H 8.935 0.02 1 1336 297 297 ILE C C 172.660 0.15 1 1337 297 297 ILE CA C 58.582 0.15 1 1338 297 297 ILE CB C 40.763 0.15 1 1339 297 297 ILE N N 118.979 0.1 1 1340 298 298 THR H H 7.868 0.02 1 1341 298 298 THR C C 175.299 0.15 1 1342 298 298 THR CA C 59.256 0.15 1 1343 298 298 THR CB C 70.822 0.15 1 1344 298 298 THR N N 116.169 0.1 1 1345 299 299 ARG H H 8.734 0.02 1 1346 299 299 ARG C C 177.624 0.15 1 1347 299 299 ARG CA C 59.703 0.15 1 1348 299 299 ARG CB C 29.291 0.15 1 1349 299 299 ARG N N 123.752 0.1 1 1350 300 300 ALA H H 8.672 0.02 1 1351 300 300 ALA C C 180.113 0.15 1 1352 300 300 ALA CA C 54.776 0.15 1 1353 300 300 ALA CB C 17.176 0.15 1 1354 300 300 ALA N N 120.987 0.1 1 1355 301 301 ARG H H 8.058 0.02 1 1356 301 301 ARG C C 178.150 0.15 1 1357 301 301 ARG CA C 56.943 0.15 1 1358 301 301 ARG CB C 28.057 0.15 1 1359 301 301 ARG N N 120.157 0.1 1 1360 302 302 PHE H H 8.270 0.02 1 1361 302 302 PHE C C 176.917 0.15 1 1362 302 302 PHE CA C 61.352 0.15 1 1363 302 302 PHE CB C 39.364 0.15 1 1364 302 302 PHE N N 121.077 0.1 1 1365 303 303 GLU H H 8.792 0.02 1 1366 303 303 GLU C C 179.441 0.15 1 1367 303 303 GLU CA C 59.015 0.15 1 1368 303 303 GLU CB C 27.958 0.15 1 1369 303 303 GLU N N 119.821 0.1 1 1370 304 304 GLU H H 8.007 0.02 1 1371 304 304 GLU C C 180.083 0.15 1 1372 304 304 GLU CA C 58.881 0.15 1 1373 304 304 GLU CB C 28.849 0.15 1 1374 304 304 GLU N N 121.729 0.1 1 1375 305 305 LEU H H 8.349 0.02 1 1376 305 305 LEU C C 177.605 0.15 1 1377 305 305 LEU CA C 56.267 0.15 1 1378 305 305 LEU CB C 42.314 0.15 1 1379 305 305 LEU N N 118.569 0.1 1 1380 306 306 ASN H H 6.439 0.02 1 1381 306 306 ASN C C 175.197 0.15 1 1382 306 306 ASN CA C 52.838 0.15 1 1383 306 306 ASN CB C 40.151 0.15 1 1384 306 306 ASN N N 113.450 0.1 1 1385 307 307 ALA H H 7.063 0.02 1 1386 307 307 ALA C C 179.202 0.15 1 1387 307 307 ALA CA C 56.576 0.15 1 1388 307 307 ALA CB C 18.350 0.15 1 1389 307 307 ALA N N 124.581 0.1 1 1390 308 308 ASP H H 9.198 0.02 1 1391 308 308 ASP C C 178.653 0.15 1 1392 308 308 ASP CA C 55.402 0.15 1 1393 308 308 ASP CB C 37.728 0.15 1 1394 308 308 ASP N N 114.478 0.1 1 1395 309 309 LEU H H 6.924 0.02 1 1396 309 309 LEU C C 179.455 0.15 1 1397 309 309 LEU CA C 55.995 0.15 1 1398 309 309 LEU CB C 41.114 0.15 1 1399 309 309 LEU N N 121.813 0.1 1 1400 310 310 PHE H H 8.164 0.02 1 1401 310 310 PHE C C 178.591 0.15 1 1402 310 310 PHE CA C 56.027 0.15 1 1403 310 310 PHE CB C 35.298 0.15 1 1404 310 310 PHE N N 115.777 0.1 1 1405 311 311 ARG H H 8.076 0.02 1 1406 311 311 ARG C C 178.938 0.15 1 1407 311 311 ARG CA C 58.903 0.15 1 1408 311 311 ARG CB C 28.371 0.15 1 1409 311 311 ARG N N 119.872 0.1 1 1410 312 312 GLY H H 7.819 0.02 1 1411 312 312 GLY C C 176.688 0.15 1 1412 312 312 GLY CA C 45.868 0.15 1 1413 312 312 GLY N N 106.974 0.1 1 1414 313 313 THR H H 7.425 0.02 1 1415 313 313 THR C C 175.490 0.15 1 1416 313 313 THR CA C 63.806 0.15 1 1417 313 313 THR CB C 68.568 0.15 1 1418 313 313 THR N N 112.644 0.1 1 1419 314 314 LEU H H 7.169 0.02 1 1420 314 314 LEU C C 179.223 0.15 1 1421 314 314 LEU CA C 55.148 0.15 1 1422 314 314 LEU CB C 39.474 0.15 1 1423 314 314 LEU N N 117.036 0.1 1 1424 315 315 ASP H H 7.669 0.02 1 1425 315 315 ASP C C 177.591 0.15 1 1426 315 315 ASP CA C 58.627 0.15 1 1427 315 315 ASP CB C 37.595 0.15 1 1428 315 315 ASP N N 121.125 0.1 1 1429 316 316 PRO C C 177.501 0.15 1 1430 316 316 PRO CA C 64.722 0.15 1 1431 317 317 VAL H H 6.664 0.02 1 1432 317 317 VAL C C 176.577 0.15 1 1433 317 317 VAL CA C 66.520 0.15 1 1434 317 317 VAL CB C 29.782 0.15 1 1435 317 317 VAL N N 115.682 0.1 1 1436 318 318 GLU H H 7.821 0.02 1 1437 318 318 GLU C C 179.565 0.15 1 1438 318 318 GLU CA C 59.770 0.15 1 1439 318 318 GLU CB C 28.836 0.15 1 1440 318 318 GLU N N 118.886 0.1 1 1441 319 319 LYS H H 8.185 0.02 1 1442 319 319 LYS C C 177.298 0.15 1 1443 319 319 LYS CA C 58.944 0.15 1 1444 319 319 LYS CB C 31.628 0.15 1 1445 319 319 LYS N N 120.853 0.1 1 1446 320 320 ALA H H 8.338 0.02 1 1447 320 320 ALA C C 181.791 0.15 1 1448 320 320 ALA CA C 54.826 0.15 1 1449 320 320 ALA CB C 15.976 0.15 1 1450 320 320 ALA N N 121.770 0.1 1 1451 321 321 LEU H H 8.080 0.02 1 1452 321 321 LEU C C 177.916 0.15 1 1453 321 321 LEU CA C 58.317 0.15 1 1454 321 321 LEU CB C 39.845 0.15 1 1455 321 321 LEU N N 120.565 0.1 1 1456 322 322 ARG H H 7.934 0.02 1 1457 322 322 ARG C C 174.216 0.15 1 1458 322 322 ARG CA C 58.883 0.15 1 1459 322 322 ARG CB C 28.866 0.15 1 1460 322 322 ARG N N 119.771 0.1 1 1461 323 323 ASP H H 8.904 0.02 1 1462 323 323 ASP C C 177.741 0.15 1 1463 323 323 ASP CA C 56.548 0.15 1 1464 323 323 ASP CB C 39.285 0.15 1 1465 323 323 ASP N N 122.446 0.1 1 1466 324 324 ALA H H 7.731 0.02 1 1467 324 324 ALA C C 174.791 0.15 1 1468 324 324 ALA CA C 51.813 0.15 1 1469 324 324 ALA CB C 18.291 0.15 1 1470 324 324 ALA N N 120.777 0.1 1 1471 325 325 LYS H H 7.866 0.02 1 1472 325 325 LYS C C 175.252 0.15 1 1473 325 325 LYS CA C 56.294 0.15 1 1474 325 325 LYS CB C 27.799 0.15 1 1475 325 325 LYS N N 115.808 0.1 1 1476 326 326 LEU H H 7.920 0.02 1 1477 326 326 LEU C C 175.710 0.15 1 1478 326 326 LEU CA C 52.429 0.15 1 1479 326 326 LEU CB C 44.951 0.15 1 1480 326 326 LEU N N 118.138 0.1 1 1481 327 327 ASP H H 8.593 0.02 1 1482 327 327 ASP C C 177.795 0.15 1 1483 327 327 ASP CA C 52.504 0.15 1 1484 327 327 ASP CB C 43.517 0.15 1 1485 327 327 ASP N N 120.521 0.1 1 1486 328 328 LYS H H 8.819 0.02 1 1487 328 328 LYS C C 177.666 0.15 1 1488 328 328 LYS CA C 59.494 0.15 1 1489 328 328 LYS CB C 30.948 0.15 1 1490 328 328 LYS N N 122.500 0.1 1 1491 329 329 SER H H 8.548 0.02 1 1492 329 329 SER C C 175.256 0.15 1 1493 329 329 SER CA C 60.034 0.15 1 1494 329 329 SER CB C 62.486 0.15 1 1495 329 329 SER N N 115.303 0.1 1 1496 330 330 GLN H H 7.973 0.02 1 1497 330 330 GLN C C 174.011 0.15 1 1498 330 330 GLN CA C 55.168 0.15 1 1499 330 330 GLN CB C 29.533 0.15 1 1500 330 330 GLN N N 120.313 0.1 1 1501 331 331 ILE H H 6.863 0.02 1 1502 331 331 ILE C C 175.097 0.15 1 1503 331 331 ILE CA C 57.339 0.15 1 1504 331 331 ILE CB C 34.042 0.15 1 1505 331 331 ILE N N 118.035 0.1 1 1506 332 332 HIS H H 9.002 0.02 1 1507 332 332 HIS C C 176.039 0.15 1 1508 332 332 HIS CA C 60.404 0.15 1 1509 332 332 HIS CB C 31.299 0.15 1 1510 332 332 HIS N N 129.677 0.1 1 1511 333 333 ASP H H 7.373 0.02 1 1512 333 333 ASP C C 173.028 0.15 1 1513 333 333 ASP CA C 52.742 0.15 1 1514 333 333 ASP CB C 46.232 0.15 1 1515 333 333 ASP N N 115.937 0.1 1 1516 334 334 ILE H H 9.250 0.02 1 1517 334 334 ILE C C 175.122 0.15 1 1518 334 334 ILE CA C 59.850 0.15 1 1519 334 334 ILE CB C 38.782 0.15 1 1520 334 334 ILE N N 122.918 0.1 1 1521 335 335 VAL H H 9.146 0.02 1 1522 335 335 VAL C C 173.785 0.15 1 1523 335 335 VAL CA C 60.791 0.15 1 1524 335 335 VAL CB C 33.400 0.15 1 1525 335 335 VAL N N 130.303 0.1 1 1526 336 336 LEU H H 7.857 0.02 1 1527 336 336 LEU C C 174.195 0.15 1 1528 336 336 LEU CA C 53.938 0.15 1 1529 336 336 LEU CB C 40.211 0.15 1 1530 336 336 LEU N N 126.682 0.1 1 1531 337 337 VAL H H 9.104 0.02 1 1532 337 337 VAL C C 172.582 0.15 1 1533 337 337 VAL CA C 60.046 0.15 1 1534 337 337 VAL CB C 34.301 0.15 1 1535 337 337 VAL N N 124.083 0.1 1 1536 338 338 GLY H H 7.022 0.02 1 1537 338 338 GLY C C 177.024 0.15 1 1538 338 338 GLY CA C 42.283 0.15 1 1539 338 338 GLY N N 110.179 0.1 1 1540 339 339 GLY H H 9.744 0.02 1 1541 339 339 GLY C C 174.233 0.15 1 1542 339 339 GLY CA C 47.253 0.15 1 1543 339 339 GLY N N 114.218 0.1 1 1544 340 340 SER H H 7.643 0.02 1 1545 340 340 SER C C 174.766 0.15 1 1546 340 340 SER CA C 59.973 0.15 1 1547 340 340 SER CB C 62.677 0.15 1 1548 340 340 SER N N 110.182 0.1 1 1549 341 341 THR C C 173.868 0.15 1 1550 341 341 THR CA C 63.576 0.15 1 1551 341 341 THR CB C 67.672 0.15 1 1552 342 342 ARG H H 6.596 0.02 1 1553 342 342 ARG C C 175.747 0.15 1 1554 342 342 ARG CA C 57.012 0.15 1 1555 342 342 ARG CB C 29.655 0.15 1 1556 342 342 ARG N N 116.920 0.1 1 1557 343 343 ILE H H 6.960 0.02 1 1558 343 343 ILE C C 175.734 0.15 1 1559 343 343 ILE CA C 60.108 0.15 1 1560 343 343 ILE CB C 37.861 0.15 1 1561 343 343 ILE N N 119.962 0.1 1 1562 344 344 PRO C C 179.402 0.15 1 1563 344 344 PRO CA C 65.682 0.15 1 1564 344 344 PRO CB C 30.741 0.15 1 1565 345 345 LYS H H 9.363 0.02 1 1566 345 345 LYS C C 178.023 0.15 1 1567 345 345 LYS CA C 57.157 0.15 1 1568 345 345 LYS CB C 30.482 0.15 1 1569 345 345 LYS N N 118.891 0.1 1 1570 346 346 ILE H H 6.457 0.02 1 1571 346 346 ILE C C 176.644 0.15 1 1572 346 346 ILE CA C 62.419 0.15 1 1573 346 346 ILE CB C 35.180 0.15 1 1574 346 346 ILE N N 116.215 0.1 1 1575 347 347 GLN H H 6.859 0.02 1 1576 347 347 GLN C C 177.792 0.15 1 1577 347 347 GLN CA C 59.153 0.15 1 1578 347 347 GLN CB C 26.195 0.15 1 1579 347 347 GLN N N 116.338 0.1 1 1580 348 348 LYS H H 8.026 0.02 1 1581 348 348 LYS C C 178.167 0.15 1 1582 348 348 LYS CA C 58.255 0.15 1 1583 348 348 LYS CB C 31.406 0.15 1 1584 348 348 LYS N N 119.473 0.1 1 1585 349 349 LEU H H 8.122 0.02 1 1586 349 349 LEU C C 180.351 0.15 1 1587 349 349 LEU CA C 57.377 0.15 1 1588 349 349 LEU CB C 41.183 0.15 1 1589 349 349 LEU N N 119.444 0.1 1 1590 350 350 LEU C C 178.154 0.15 1 1591 350 350 LEU CA C 56.896 0.15 1 1592 350 350 LEU CB C 41.148 0.15 1 1593 351 351 GLN H H 8.584 0.02 1 1594 351 351 GLN C C 179.106 0.15 1 1595 351 351 GLN CA C 59.861 0.15 1 1596 351 351 GLN CB C 27.905 0.15 1 1597 351 351 GLN N N 120.227 0.1 1 1598 352 352 ASP H H 8.771 0.02 1 1599 352 352 ASP C C 180.279 0.15 1 1600 352 352 ASP CA C 56.706 0.15 1 1601 352 352 ASP CB C 39.062 0.15 1 1602 352 352 ASP N N 119.965 0.1 1 1603 353 353 PHE H H 8.021 0.02 1 1604 353 353 PHE C C 176.080 0.15 1 1605 353 353 PHE CA C 61.212 0.15 1 1606 353 353 PHE CB C 38.169 0.15 1 1607 353 353 PHE N N 124.622 0.1 1 1608 354 354 PHE H H 7.646 0.02 1 1609 354 354 PHE C C 175.044 0.15 1 1610 354 354 PHE CA C 58.853 0.15 1 1611 354 354 PHE CB C 36.998 0.15 1 1612 354 354 PHE N N 114.904 0.1 1 1613 355 355 ASN H H 7.840 0.02 1 1614 355 355 ASN C C 175.333 0.15 1 1615 355 355 ASN CA C 54.254 0.15 1 1616 355 355 ASN CB C 36.433 0.15 1 1617 355 355 ASN N N 116.272 0.1 1 1618 356 356 GLY H H 8.753 0.02 1 1619 356 356 GLY C C 174.233 0.15 1 1620 356 356 GLY CA C 44.870 0.15 1 1621 356 356 GLY N N 105.967 0.1 1 1622 357 357 LYS H H 6.977 0.02 1 1623 357 357 LYS C C 174.252 0.15 1 1624 357 357 LYS CA C 56.552 0.15 1 1625 357 357 LYS CB C 32.979 0.15 1 1626 357 357 LYS N N 124.009 0.1 1 1627 358 358 GLU H H 8.126 0.02 1 1628 358 358 GLU C C 175.524 0.15 1 1629 358 358 GLU CA C 56.389 0.15 1 1630 358 358 GLU CB C 28.986 0.15 1 1631 358 358 GLU N N 122.837 0.1 1 1632 359 359 LEU H H 8.421 0.02 1 1633 359 359 LEU C C 176.385 0.15 1 1634 359 359 LEU CA C 52.467 0.15 1 1635 359 359 LEU CB C 42.003 0.15 1 1636 359 359 LEU N N 121.632 0.1 1 1637 360 360 ASN H H 8.429 0.02 1 1638 360 360 ASN CA C 53.992 0.15 1 1639 360 360 ASN CB C 37.241 0.15 1 1640 360 360 ASN N N 120.741 0.1 1 1641 361 361 LYS H H 8.604 0.02 1 1642 361 361 LYS C C 174.657 0.15 1 1643 361 361 LYS CA C 54.838 0.15 1 1644 361 361 LYS CB C 31.755 0.15 1 1645 361 361 LYS N N 120.821 0.1 1 1646 362 362 SER H H 7.811 0.02 1 1647 362 362 SER C C 175.772 0.15 1 1648 362 362 SER CA C 59.847 0.15 1 1649 362 362 SER CB C 62.065 0.15 1 1650 362 362 SER N N 117.865 0.1 1 1651 363 363 ILE H H 8.154 0.02 1 1652 363 363 ILE C C 175.367 0.15 1 1653 363 363 ILE CA C 59.837 0.15 1 1654 363 363 ILE CB C 37.000 0.15 1 1655 363 363 ILE N N 125.617 0.1 1 1656 364 364 ASN H H 8.786 0.02 1 1657 364 364 ASN CA C 50.781 0.15 1 1658 364 364 ASN CB C 36.160 0.15 1 1659 364 364 ASN N N 128.239 0.1 1 1660 367 367 GLU H H 8.238 0.02 1 1661 368 368 ALA H H 8.952 0.02 1 1662 368 368 ALA CA C 49.882 0.15 1 1663 368 368 ALA CB C 21.005 0.15 1 1664 368 368 ALA N N 126.190 0.1 1 1665 370 370 ALA C C 178.595 0.15 1 1666 370 370 ALA CA C 54.746 0.15 1 1667 370 370 ALA CB C 17.373 0.15 1 1668 371 371 TYR H H 8.378 0.02 1 1669 371 371 TYR C C 178.586 0.15 1 1670 371 371 TYR CA C 59.509 0.15 1 1671 371 371 TYR CB C 37.924 0.15 1 1672 371 371 TYR N N 118.047 0.1 1 1673 372 372 GLY H H 8.114 0.02 1 1674 372 372 GLY C C 175.970 0.15 1 1675 372 372 GLY CA C 46.353 0.15 1 1676 372 372 GLY N N 105.628 0.1 1 1677 373 373 ALA H H 8.394 0.02 1 1678 373 373 ALA C C 178.602 0.15 1 1679 373 373 ALA CA C 54.556 0.15 1 1680 373 373 ALA CB C 16.639 0.15 1 1681 373 373 ALA N N 123.458 0.1 1 1682 374 374 ALA H H 8.576 0.02 1 1683 374 374 ALA C C 180.671 0.15 1 1684 374 374 ALA CA C 54.260 0.15 1 1685 374 374 ALA CB C 16.712 0.15 1 1686 374 374 ALA N N 122.798 0.1 1 1687 375 375 VAL H H 7.795 0.02 1 1688 375 375 VAL C C 177.699 0.15 1 1689 375 375 VAL CA C 66.417 0.15 1 1690 375 375 VAL CB C 30.569 0.15 1 1691 375 375 VAL N N 121.704 0.1 1 1692 376 376 GLN C C 178.212 0.15 1 1693 376 376 GLN CA C 57.590 0.15 1 1694 376 376 GLN CB C 27.462 0.15 1 1695 377 377 ALA H H 8.633 0.02 1 1696 377 377 ALA C C 178.256 0.15 1 1697 377 377 ALA CA C 54.839 0.15 1 1698 377 377 ALA CB C 17.197 0.15 1 1699 377 377 ALA N N 121.783 0.1 1 1700 378 378 ALA H H 7.442 0.02 1 1701 378 378 ALA C C 180.267 0.15 1 1702 378 378 ALA CA C 53.974 0.15 1 1703 378 378 ALA CB C 17.827 0.15 1 1704 378 378 ALA N N 120.576 0.1 1 1705 379 379 ILE H H 7.653 0.02 1 1706 379 379 ILE C C 179.590 0.15 1 1707 379 379 ILE CA C 63.752 0.15 1 1708 379 379 ILE CB C 37.334 0.15 1 1709 379 379 ILE N N 120.399 0.1 1 1710 380 380 LEU H H 7.961 0.02 1 1711 380 380 LEU C C 178.331 0.15 1 1712 380 380 LEU CA C 56.004 0.15 1 1713 380 380 LEU CB C 40.745 0.15 1 1714 380 380 LEU N N 119.172 0.1 1 1715 381 381 SER H H 7.870 0.02 1 1716 381 381 SER C C 174.882 0.15 1 1717 381 381 SER CA C 58.622 0.15 1 1718 381 381 SER CB C 63.148 0.15 1 1719 381 381 SER N N 113.714 0.1 1 1720 382 382 GLY H H 7.659 0.02 1 1721 382 382 GLY C C 173.898 0.15 1 1722 382 382 GLY CA C 44.942 0.15 1 1723 382 382 GLY N N 109.701 0.1 1 1724 383 383 ASP H H 8.118 0.02 1 1725 383 383 ASP C C 175.644 0.15 1 1726 383 383 ASP CA C 54.569 0.15 1 1727 383 383 ASP CB C 40.951 0.15 1 1728 383 383 ASP N N 121.328 0.1 1 1729 384 384 LYS H H 7.904 0.02 1 1730 384 384 LYS C C 175.729 0.15 1 1731 384 384 LYS CA C 55.105 0.15 1 1732 384 384 LYS CB C 32.607 0.15 1 1733 384 384 LYS N N 121.772 0.1 1 1734 385 385 SER H H 8.438 0.02 1 1735 385 385 SER C C 173.450 0.15 1 1736 385 385 SER CA C 58.050 0.15 1 1737 385 385 SER CB C 63.221 0.15 1 1738 385 385 SER N N 119.850 0.1 1 1739 386 386 GLU H H 8.000 0.02 1 1740 386 386 GLU C C 180.864 0.15 1 1741 386 386 GLU CA C 57.491 0.15 1 1742 386 386 GLU CB C 30.122 0.15 1 1743 386 386 GLU N N 127.832 0.1 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details ; The methyl assignments were obtained from a sample obtained from 1H-13C methyl labeled keto-acids for Ile, Val and Leu, and 1H-13C Methyl labeled Ala and Methionine. The 13C methyls in all chemicals had 12C neighbors, and are hence their 13C chemical shifts are approximately + 0.9 ppm isotope-shifted as compared with methyls in uniformly labeled samples. The methyl assignments are NOT stereospecific, with the upfield (low ppm) 13C resonance arbitrarily assigned to label "1". ; loop_ _Software_label $SPARKY $EZ-ASSIGN $NOE-Calculations stop_ loop_ _Experiment_label '3D HNCA TROSY' '3D HN(CO)CA TROSY' '3D HNCO TROSY' '3D HN(CA)CO TROSY' '3D HnCANH' '3D hNCANH' '3D H-NH NOESY-TROSY' '3D C-NH HMQC-NOESY-TROSY' '3D H-CH HMQC-NOESY-HSQC' '3D C-CH HMQC-NOESY-HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Protein _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 ALA HB H 1.168 0.005 1 2 6 6 ALA CB C 21.380 0.01 1 3 7 7 VAL HG1 H 0.972 0.005 2 4 7 7 VAL HG2 H 0.765 0.005 2 5 7 7 VAL CG1 C 21.454 0.01 2 6 7 7 VAL CG2 C 21.919 0.01 2 7 26 26 VAL HG1 H 0.120 0.005 2 8 26 26 VAL HG2 H 0.464 0.005 2 9 26 26 VAL CG1 C 21.489 0.01 2 10 26 26 VAL CG2 C 23.619 0.01 2 11 28 28 ILE HD1 H 0.525 0.005 1 12 28 28 ILE CD1 C 8.232 0.01 1 13 29 29 ILE HD1 H 0.644 0.005 1 14 29 29 ILE CD1 C 13.172 0.01 1 15 30 30 ALA HB H 1.108 0.005 1 16 30 30 ALA CB C 19.202 0.01 1 17 42 42 VAL HG1 H 0.570 0.005 2 18 42 42 VAL HG2 H 0.350 0.005 2 19 42 42 VAL CG1 C 21.518 0.01 2 20 42 42 VAL CG2 C 21.738 0.01 2 21 43 43 ALA HB H 1.234 0.005 1 22 43 43 ALA CB C 25.304 0.01 1 23 50 50 LEU HD1 H 0.664 0.005 2 24 50 50 LEU HD2 H 0.588 0.005 2 25 50 50 LEU CD1 C 22.740 0.01 2 26 50 50 LEU CD2 C 25.729 0.01 2 27 51 51 ILE HD1 H 0.679 0.005 1 28 51 51 ILE CD1 C 13.770 0.01 1 29 54 54 ALA HB H 1.342 0.005 1 30 54 54 ALA CB C 19.010 0.01 1 31 55 55 ALA HB H 1.151 0.005 1 32 55 55 ALA CB C 19.580 0.01 1 33 59 59 VAL HG1 H 1.022 0.005 2 34 59 59 VAL HG2 H 1.202 0.005 2 35 59 59 VAL CG1 C 20.372 0.01 2 36 59 59 VAL CG2 C 22.802 0.01 2 37 60 60 ALA HB H 1.385 0.005 1 38 60 60 ALA CB C 18.557 0.01 1 39 61 61 MET HE H 2.094 0.005 1 40 61 61 MET CE C 16.964 0.01 1 41 67 67 VAL HG1 H 0.342 0.005 2 42 67 67 VAL HG2 H -0.024 0.005 2 43 67 67 VAL CG1 C 21.073 0.01 2 44 67 67 VAL CG2 C 21.886 0.01 2 45 70 70 ALA HB H 1.046 0.005 1 46 70 70 ALA CB C 16.787 0.01 1 47 73 73 LEU HD1 H 0.675 0.005 2 48 73 73 LEU HD2 H 0.604 0.005 2 49 73 73 LEU CD1 C 22.763 0.01 1 50 73 73 LEU CD2 C 25.564 0.01 1 51 74 74 ILE HD1 H 0.747 0.005 1 52 74 74 ILE CD1 C 12.365 0.01 1 53 81 81 ALA HB H 1.415 0.005 1 54 81 81 ALA CB C 18.451 0.01 1 55 82 82 VAL HG1 H 0.992 0.005 2 56 82 82 VAL HG2 H 1.027 0.005 2 57 82 82 VAL CG1 C 20.770 0.01 2 58 82 82 VAL CG2 C 22.380 0.01 2 59 83 83 VAL HG1 H 0.759 0.005 2 60 83 83 VAL HG2 H 1.102 0.005 2 61 83 83 VAL CG1 C 21.135 0.01 2 62 83 83 VAL CG2 C 23.522 0.01 2 63 87 87 MET HE H 1.958 0.005 1 64 87 87 MET CE C 16.602 0.01 1 65 93 93 MET HE H 2.037 0.005 1 66 93 93 MET CE C 16.695 0.01 1 67 94 94 VAL HG1 H 1.099 0.005 2 68 94 94 VAL HG2 H 1.300 0.005 2 69 94 94 VAL CG1 C 22.180 0.01 2 70 94 94 VAL CG2 C 22.793 0.01 2 71 95 95 VAL HG1 H 0.538 0.005 2 72 95 95 VAL HG2 H 0.701 0.005 2 73 95 95 VAL CG1 C 18.062 0.01 2 74 95 95 VAL CG2 C 21.510 0.01 2 75 98 98 ALA HB H 1.344 0.005 1 76 98 98 ALA CB C 16.986 0.01 1 77 103 103 VAL HG1 H 0.689 0.005 2 78 103 103 VAL HG2 H 0.674 0.005 2 79 103 103 VAL CG1 C 20.170 0.01 2 80 103 103 VAL CG2 C 21.854 0.01 2 81 105 105 VAL HG1 H -0.079 0.005 2 82 105 105 VAL HG2 H 0.766 0.005 2 83 105 105 VAL CG1 C 16.333 0.01 2 84 105 105 VAL CG2 C 21.443 0.01 2 85 119 119 VAL HG1 H 0.654 0.005 2 86 119 119 VAL CG1 C 21.448 0.01 2 87 123 123 VAL HG1 H 0.707 0.005 2 88 123 123 VAL CG1 C 21.854 0.01 2 89 124 124 LEU HD1 H 0.728 0.005 2 90 124 124 LEU HD2 H 0.560 0.005 2 91 124 124 LEU CD1 C 22.904 0.01 2 92 124 124 LEU CD2 C 25.556 0.01 2 93 127 127 MET HE H 2.066 0.005 1 94 127 127 MET CE C 16.869 0.01 1 95 131 131 ALA HB H 1.313 0.005 1 96 131 131 ALA CB C 17.863 0.01 1 97 133 133 ALA HB H 1.513 0.005 1 98 133 133 ALA CB C 17.984 0.01 1 99 135 135 LEU HD1 H 0.842 0.005 2 100 135 135 LEU HD2 H 0.718 0.005 2 101 135 135 LEU CD1 C 23.623 0.01 2 102 135 135 LEU CD2 C 25.838 0.01 2 103 139 139 VAL HG1 H 0.819 0.005 2 104 139 139 VAL HG2 H 0.872 0.005 2 105 139 139 VAL CG1 C 21.648 0.01 2 106 139 139 VAL CG2 C 21.740 0.01 2 107 142 142 ALA HB H 1.021 0.005 1 108 142 142 ALA CB C 24.104 0.01 1 109 146 146 VAL HG1 H 0.478 0.005 2 110 146 146 VAL HG2 H 0.894 0.005 2 111 146 146 VAL CG1 C 17.789 0.01 2 112 146 146 VAL CG2 C 23.672 0.01 2 113 148 148 ALA HB H 1.286 0.005 1 114 148 148 ALA CB C 17.429 0.01 1 115 157 157 ALA HB H 1.417 0.005 1 116 157 157 ALA CB C 19.696 0.01 1 117 161 161 ALA HB H 1.355 0.005 1 118 161 161 ALA CB C 18.183 0.01 1 119 164 164 ILE HD1 H 0.726 0.005 1 120 164 164 ILE CD1 C 13.410 0.01 1 121 165 165 ALA HB H 1.521 0.005 1 122 165 165 ALA CB C 19.600 0.01 1 123 167 167 LEU HD1 H 0.481 0.005 2 124 167 167 LEU HD2 H 0.718 0.005 2 125 167 167 LEU CD1 C 22.693 0.01 2 126 167 167 LEU CD2 C 25.916 0.01 2 127 169 169 VAL HG1 H 0.853 0.005 2 128 169 169 VAL HG2 H 0.717 0.005 2 129 169 169 VAL CG1 C 21.286 0.01 2 130 169 169 VAL CG2 C 21.940 0.01 2 131 170 170 LEU HD1 H 0.722 0.005 2 132 170 170 LEU HD2 H 0.951 0.005 2 133 170 170 LEU CD1 C 22.070 0.01 2 134 170 170 LEU CD2 C 26.510 0.01 2 135 172 172 ILE HD1 H 0.641 0.005 1 136 172 172 ILE CD1 C 12.012 0.01 1 137 173 173 ILE HD1 H 0.491 0.005 1 138 173 173 ILE CD1 C 13.660 0.01 1 139 178 178 ALA HB H 1.520 0.005 1 140 178 178 ALA CB C 18.382 0.01 1 141 180 180 ALA HB H 1.365 0.005 1 142 180 180 ALA CB C 18.576 0.01 1 143 181 181 ILE HD1 H 0.502 0.005 1 144 181 181 ILE CD1 C 13.802 0.01 1 145 182 182 ALA HB H 1.136 0.005 1 146 182 182 ALA CB C 18.050 0.01 1 147 185 185 LEU HD1 H 0.646 0.005 2 148 185 185 LEU HD2 H 0.681 0.005 2 149 185 185 LEU CD1 C 21.260 0.01 2 150 185 185 LEU CD2 C 26.233 0.01 2 151 189 189 VAL HG1 H 0.852 0.005 2 152 189 189 VAL HG2 H 0.847 0.005 2 153 189 189 VAL CG1 C 19.933 0.01 2 154 189 189 VAL CG2 C 21.143 0.01 2 155 191 191 ALA HB H 1.333 0.005 1 156 191 191 ALA CB C 19.950 0.01 1 157 195 195 VAL HG1 H 0.912 0.005 2 158 195 195 VAL HG2 H 0.677 0.005 2 159 195 195 VAL CG1 C 21.158 0.01 2 160 195 195 VAL CG2 C 21.832 0.01 2 161 197 197 ILE HD1 H 0.545 0.005 1 162 197 197 ILE CD1 C 11.733 0.01 1 163 200 200 LEU HD1 H 0.671 0.005 2 164 200 200 LEU HD2 H 0.802 0.005 2 165 200 200 LEU CD1 C 23.631 0.01 2 166 200 200 LEU CD2 C 26.421 0.01 2 167 207 207 VAL HG1 H 0.690 0.005 2 168 207 207 VAL HG2 H 0.271 0.005 2 169 207 207 VAL CG1 C 22.376 0.01 2 170 207 207 VAL CG2 C 23.363 0.01 2 171 209 209 ILE HD1 H 0.641 0.005 1 172 209 209 ILE CD1 C 12.904 0.01 1 173 210 210 LEU HD1 H 0.706 0.005 2 174 210 210 LEU HD2 H 0.649 0.005 2 175 210 210 LEU CD1 C 24.999 0.01 2 176 210 210 LEU CD2 C 25.924 0.01 2 177 212 212 ILE HD1 H 0.324 0.005 1 178 212 212 ILE CD1 C 15.015 0.01 1 179 216 216 ILE HD1 H 0.784 0.005 1 180 216 216 ILE CD1 C 11.396 0.01 1 181 219 219 VAL HG1 H 0.837 0.005 2 182 219 219 VAL HG2 H 0.734 0.005 2 183 219 219 VAL CG1 C 20.395 0.01 2 184 219 219 VAL CG2 C 21.696 0.01 2 185 223 223 ALA HB H 1.370 0.005 1 186 223 223 ALA CB C 23.403 0.01 1 187 228 228 LEU HD1 H 0.853 0.005 2 188 228 228 LEU HD2 H 0.706 0.005 2 189 228 228 LEU CD1 C 23.750 0.01 2 190 228 228 LEU CD2 C 25.763 0.01 2 191 237 237 MET HE H 2.106 0.005 1 192 237 237 MET CE C 17.175 0.01 1 193 238 238 VAL HG1 H 0.975 0.005 2 194 238 238 VAL HG2 H 1.114 0.005 2 195 238 238 VAL CG1 C 21.747 0.01 2 196 238 238 VAL CG2 C 24.113 0.01 2 197 242 242 ILE HD1 H 0.748 0.005 1 198 242 242 ILE CD1 C 14.044 0.01 1 199 243 243 ALA HB H 1.511 0.005 1 200 243 243 ALA CB C 17.392 0.01 1 201 253 253 ILE HD1 H 0.105 0.005 1 202 253 253 ILE CD1 C 13.535 0.01 1 203 259 259 ALA HB H 1.438 0.005 1 204 259 259 ALA CB C 18.220 0.01 1 205 260 260 VAL HG1 H 0.905 0.005 2 206 260 260 VAL HG2 H 0.908 0.005 2 207 260 260 VAL CG1 C 21.689 0.01 2 208 260 260 VAL CG2 C 23.703 0.01 2 209 263 263 LEU HD1 H 0.905 0.005 2 210 263 263 LEU HD2 H 0.908 0.005 2 211 263 263 LEU CD1 C 21.689 0.01 2 212 263 263 LEU CD2 C 23.703 0.01 2 213 266 266 ALA HB H 1.504 0.005 1 214 266 266 ALA CB C 18.659 0.01 1 215 270 270 ALA HB H 1.195 0.005 1 216 270 270 ALA CB C 18.005 0.01 1 217 274 274 LEU HD1 H 0.449 0.005 2 218 274 274 LEU HD2 H 0.343 0.005 2 219 274 274 LEU CD1 C 21.995 0.01 2 220 274 274 LEU CD2 C 25.941 0.01 2 221 280 280 ALA HB H 1.189 0.005 1 222 280 280 ALA CB C 23.222 0.01 1 223 282 282 ILE HD1 H 0.313 0.005 1 224 282 282 ILE CD1 C 13.228 0.01 1 225 284 284 ILE HD1 H 0.726 0.005 1 226 284 284 ILE CD1 C 15.849 0.01 1 227 291 291 ILE HD1 H 0.774 0.005 1 228 291 291 ILE CD1 C 13.303 0.01 1 229 297 297 ILE HD1 H 0.443 0.005 1 230 297 297 ILE CD1 C 13.039 0.01 1 231 300 300 ALA HB H 1.419 0.005 1 232 300 300 ALA CB C 18.019 0.01 1 233 305 305 LEU HD1 H 0.680 0.005 2 234 305 305 LEU HD2 H 0.313 0.005 2 235 305 305 LEU CD1 C 22.229 0.01 2 236 305 305 LEU CD2 C 25.352 0.01 2 237 307 307 ALA HB H 1.470 0.005 1 238 307 307 ALA CB C 19.207 0.01 1 239 309 309 LEU HD1 H 0.780 0.005 2 240 309 309 LEU HD2 H 0.984 0.005 2 241 309 309 LEU CD1 C 21.770 0.01 2 242 309 309 LEU CD2 C 25.385 0.01 2 243 314 314 LEU HD1 H 0.820 0.005 2 244 314 314 LEU HD2 H 0.422 0.005 2 245 314 314 LEU CD1 C 25.156 0.01 2 246 314 314 LEU CD2 C 21.280 0.01 2 247 317 317 VAL HG1 H 0.689 0.005 1 248 317 317 VAL CG1 C 23.580 0.01 1 249 320 320 ALA HB H 1.207 0.005 1 250 320 320 ALA CB C 16.910 0.01 1 251 321 321 LEU HD1 H 0.689 0.005 2 252 321 321 LEU HD2 H 0.682 0.005 2 253 321 321 LEU CD1 C 23.580 0.01 2 254 321 321 LEU CD2 C 23.657 0.01 2 255 324 324 ALA HB H 1.334 0.005 1 256 324 324 ALA CB C 19.158 0.01 1 257 326 326 LEU HD1 H 0.732 0.005 2 258 326 326 LEU HD2 H 0.542 0.005 2 259 326 326 LEU CD1 C 22.991 0.01 2 260 326 326 LEU CD2 C 26.366 0.01 2 261 331 331 ILE HD1 H 0.466 0.005 1 262 331 331 ILE CD1 C 8.569 0.01 1 263 334 334 ILE HD1 H -0.145 0.005 1 264 334 334 ILE CD1 C 14.413 0.01 1 265 336 336 LEU HD1 H 0.730 0.005 2 266 336 336 LEU CD1 C 23.509 0.01 2 267 337 337 VAL HG1 H 0.709 0.005 2 268 337 337 VAL CG1 C 24.437 0.01 2 269 343 343 ILE HD1 H 1.274 0.005 1 270 343 343 ILE CD1 C 14.326 0.01 1 271 346 346 ILE HD1 H 0.335 0.005 1 272 346 346 ILE CD1 C 10.738 0.01 1 273 349 349 LEU HD1 H 0.681 0.005 2 274 349 349 LEU HD2 H 0.822 0.005 2 275 349 349 LEU CD1 C 23.642 0.01 2 276 349 349 LEU CD2 C 26.417 0.01 2 277 350 350 LEU HD1 H 0.534 0.005 2 278 350 350 LEU HD2 H 0.015 0.005 2 279 350 350 LEU CD1 C 23.493 0.01 2 280 350 350 LEU CD2 C 25.010 0.01 2 281 359 359 LEU HD1 H 0.488 0.005 2 282 359 359 LEU HD2 H 0.805 0.005 2 283 359 359 LEU CD1 C 22.237 0.01 2 284 359 359 LEU CD2 C 26.421 0.01 2 285 363 363 ILE HD1 H -0.864 0.005 1 286 363 363 ILE CD1 C 11.353 0.01 1 287 368 368 ALA CB C 21.005 0.01 1 288 369 369 VAL HG1 H 0.910 0.005 2 289 369 369 VAL CG1 C 23.740 0.01 2 290 370 370 ALA HB H 1.212 0.005 1 291 370 370 ALA CB C 18.211 0.01 1 292 373 373 ALA HB H 1.298 0.005 1 293 373 373 ALA CB C 17.630 0.01 1 294 374 374 ALA HB H 1.290 0.005 1 295 374 374 ALA CB C 17.592 0.01 1 296 375 375 VAL HG1 H 0.747 0.005 2 297 375 375 VAL CG1 C 20.925 0.01 2 298 377 377 ALA HB H 1.126 0.005 1 299 377 377 ALA CB C 17.440 0.01 1 300 378 378 ALA HB H 1.306 0.005 1 301 378 378 ALA CB C 18.698 0.01 1 302 379 379 ILE HD1 H 0.623 0.005 1 303 379 379 ILE CD1 C 13.034 0.01 1 304 380 380 LEU HD1 H 0.782 0.005 2 305 380 380 LEU HD2 H 0.622 0.005 2 306 380 380 LEU CD1 C 21.594 0.01 2 307 380 380 LEU CD2 C 26.387 0.01 2 stop_ save_