data_6873 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C chemical shift assignments of pleckstrin's C-terminal PH domain ; _BMRB_accession_number 6873 _BMRB_flat_file_name bmr6873.str _Entry_type original _Submission_date 2005-10-25 _Accession_date 2005-10-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'C-terminal PH domain of human pleckstrin-1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edlich Christian . . 2 Simon Bernd . . 3 Stier Gunter . . 4 Sattler Michael . . 5 Muhle-Goll Claudia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 662 "13C chemical shifts" 401 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-05-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; New NMR Assignment 1H, 13C, and 15N Assignment of the Second PH Domain of Human Pleckstrin (234-350) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16642402 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edlich Christian . . 2 Simon Bernd . . 3 Sattler Michael . . 4 Muhle-Goll Claudia . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21 _Page_last 21 _Year 2006 _Details 'assignment note' loop_ _Keyword 'PH domain' pleckstrin stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full 'Structure (Camb). 2005 Feb;13(2):277-86.' _Citation_title ; Structure and phosphatidylinositol-(3,4)-bisphosphate binding of the C-terminal PH domain of human pleckstrin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1569857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edlich Christian . . 2 Stier Gunter . . 3 Simon Bernd . . 4 Sattler Michael . . 5 Muhle-Goll Claudia . . stop_ _Journal_abbreviation Structure _Journal_name_full . _Journal_volume 13 _Journal_issue 2 _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 277 _Page_last 286 _Year 2005 _Details 'structure and pip binding' loop_ _Keyword 'PH domain' 'phophatidylinositol phosphate' pleckstrin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-PH domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'pleckstrin C-PH' $C-PH stop_ _System_molecular_weight 13455.3 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'lipid headgroup binding (pip's)' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C-PH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C-PH _Molecular_mass 13455.3 _Mol_thiol_state 'all free' _Details ; N-terminal His6 tag MHHHHHHKPM ; ############################## # Polymer residue sequence # ############################## _Residue_count 360 _Mol_residue_sequence ; MHHHHHHKPMMEPKRIREGY LVKKGSVFNTWKPMWVVLLE DGIEFYKKKSDNSPKGMIPL KGSTLTSPCQDFGKRMFVFK ITTTKQQDHFFQAAFLEERD AWVRDINKAIKCIEGGQKFA RKSTRRSIRLPETIDLGALY LSMKDTEKGIKELNLEKDKK IFNHCFTGNCVIDWLVSNQS VRNRQEGLMIASSLLNEGYL QPAGDMSKSAVDGTAENPFL DNPDAFYYFPDSGFFCEENS SDDDVILKEEFRGVIIKQGC LLKQGHRRKNWKVRKFILRE DPAYLHYYDPAGAEDPLGAI HLRGCVVTSVESNSNGRKSE EENLFEIITADEVHYFLQAA TPKERTEWIKAIQMASRTGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 MET 2 12 HIS 3 13 HIS 4 14 HIS 5 15 HIS 6 16 HIS 7 17 HIS 8 18 LYS 9 19 PRO 10 20 MET 11 21 MET 12 22 GLU 13 23 PRO 14 24 LYS 15 25 ARG 16 26 ILE 17 27 ARG 18 28 GLU 19 29 GLY 20 30 TYR 21 31 LEU 22 32 VAL 23 33 LYS 24 34 LYS 25 35 GLY 26 36 SER 27 37 VAL 28 38 PHE 29 39 ASN 30 40 THR 31 41 TRP 32 42 LYS 33 43 PRO 34 44 MET 35 45 TRP 36 46 VAL 37 47 VAL 38 48 LEU 39 49 LEU 40 50 GLU 41 51 ASP 42 52 GLY 43 53 ILE 44 54 GLU 45 55 PHE 46 56 TYR 47 57 LYS 48 58 LYS 49 59 LYS 50 60 SER 51 61 ASP 52 62 ASN 53 63 SER 54 64 PRO 55 65 LYS 56 66 GLY 57 67 MET 58 68 ILE 59 69 PRO 60 70 LEU 61 71 LYS 62 72 GLY 63 73 SER 64 74 THR 65 75 LEU 66 76 THR 67 77 SER 68 78 PRO 69 79 CYS 70 80 GLN 71 81 ASP 72 82 PHE 73 83 GLY 74 84 LYS 75 85 ARG 76 86 MET 77 87 PHE 78 88 VAL 79 89 PHE 80 90 LYS 81 91 ILE 82 92 THR 83 93 THR 84 94 THR 85 95 LYS 86 96 GLN 87 97 GLN 88 98 ASP 89 99 HIS 90 100 PHE 91 101 PHE 92 102 GLN 93 103 ALA 94 104 ALA 95 105 PHE 96 106 LEU 97 107 GLU 98 108 GLU 99 109 ARG 100 110 ASP 101 111 ALA 102 112 TRP 103 113 VAL 104 114 ARG 105 115 ASP 106 116 ILE 107 117 ASN 108 118 LYS 109 119 ALA 110 120 ILE 111 121 LYS 112 122 CYS 113 123 ILE 114 124 GLU 115 125 GLY 116 126 GLY 117 127 GLN 118 128 LYS 119 129 PHE 120 130 ALA 121 131 ARG 122 132 LYS 123 133 SER 124 134 THR 125 135 ARG 126 136 ARG 127 137 SER 128 138 ILE 129 139 ARG 130 140 LEU 131 141 PRO 132 142 GLU 133 143 THR 134 144 ILE 135 145 ASP 136 146 LEU 137 147 GLY 138 148 ALA 139 149 LEU 140 150 TYR 141 151 LEU 142 152 SER 143 153 MET 144 154 LYS 145 155 ASP 146 156 THR 147 157 GLU 148 158 LYS 149 159 GLY 150 160 ILE 151 161 LYS 152 162 GLU 153 163 LEU 154 164 ASN 155 165 LEU 156 166 GLU 157 167 LYS 158 168 ASP 159 169 LYS 160 170 LYS 161 171 ILE 162 172 PHE 163 173 ASN 164 174 HIS 165 175 CYS 166 176 PHE 167 177 THR 168 178 GLY 169 179 ASN 170 180 CYS 171 181 VAL 172 182 ILE 173 183 ASP 174 184 TRP 175 185 LEU 176 186 VAL 177 187 SER 178 188 ASN 179 189 GLN 180 190 SER 181 191 VAL 182 192 ARG 183 193 ASN 184 194 ARG 185 195 GLN 186 196 GLU 187 197 GLY 188 198 LEU 189 199 MET 190 200 ILE 191 201 ALA 192 202 SER 193 203 SER 194 204 LEU 195 205 LEU 196 206 ASN 197 207 GLU 198 208 GLY 199 209 TYR 200 210 LEU 201 211 GLN 202 212 PRO 203 213 ALA 204 214 GLY 205 215 ASP 206 216 MET 207 217 SER 208 218 LYS 209 219 SER 210 220 ALA 211 221 VAL 212 222 ASP 213 223 GLY 214 224 THR 215 225 ALA 216 226 GLU 217 227 ASN 218 228 PRO 219 229 PHE 220 230 LEU 221 231 ASP 222 232 ASN 223 233 PRO 224 234 ASP 225 235 ALA 226 236 PHE 227 237 TYR 228 238 TYR 229 239 PHE 230 240 PRO 231 241 ASP 232 242 SER 233 243 GLY 234 244 PHE 235 245 PHE 236 246 CYS 237 247 GLU 238 248 GLU 239 249 ASN 240 250 SER 241 251 SER 242 252 ASP 243 253 ASP 244 254 ASP 245 255 VAL 246 256 ILE 247 257 LEU 248 258 LYS 249 259 GLU 250 260 GLU 251 261 PHE 252 262 ARG 253 263 GLY 254 264 VAL 255 265 ILE 256 266 ILE 257 267 LYS 258 268 GLN 259 269 GLY 260 270 CYS 261 271 LEU 262 272 LEU 263 273 LYS 264 274 GLN 265 275 GLY 266 276 HIS 267 277 ARG 268 278 ARG 269 279 LYS 270 280 ASN 271 281 TRP 272 282 LYS 273 283 VAL 274 284 ARG 275 285 LYS 276 286 PHE 277 287 ILE 278 288 LEU 279 289 ARG 280 290 GLU 281 291 ASP 282 292 PRO 283 293 ALA 284 294 TYR 285 295 LEU 286 296 HIS 287 297 TYR 288 298 TYR 289 299 ASP 290 300 PRO 291 301 ALA 292 302 GLY 293 303 ALA 294 304 GLU 295 305 ASP 296 306 PRO 297 307 LEU 298 308 GLY 299 309 ALA 300 310 ILE 301 311 HIS 302 312 LEU 303 313 ARG 304 314 GLY 305 315 CYS 306 316 VAL 307 317 VAL 308 318 THR 309 319 SER 310 320 VAL 311 321 GLU 312 322 SER 313 323 ASN 314 324 SER 315 325 ASN 316 326 GLY 317 327 ARG 318 328 LYS 319 329 SER 320 330 GLU 321 331 GLU 322 332 GLU 323 333 ASN 324 334 LEU 325 335 PHE 326 336 GLU 327 337 ILE 328 338 ILE 329 339 THR 330 340 ALA 331 341 ASP 332 342 GLU 333 343 VAL 334 344 HIS 335 345 TYR 336 346 PHE 337 347 LEU 338 348 GLN 339 349 ALA 340 350 ALA 341 351 THR 342 352 PRO 343 353 LYS 344 354 GLU 345 355 ARG 346 356 THR 347 357 GLU 348 358 TRP 349 359 ILE 350 360 LYS 351 361 ALA 352 362 ILE 353 363 GLN 354 364 MET 355 365 ALA 356 366 SER 357 367 ARG 358 368 THR 359 369 GLY 360 370 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 DBJ BAG36495 "unnamed protein product [Homo sapiens]" 97.22 350 99.43 99.71 0.00e+00 DBJ BAI47103 "pleckstrin [synthetic construct]" 97.22 350 99.43 99.71 0.00e+00 EMBL CAA30564 "unnamed protein product [Homo sapiens]" 97.22 350 100.00 100.00 0.00e+00 EMBL CAG46853 "PLEK [Homo sapiens]" 97.22 350 99.71 99.71 0.00e+00 EMBL CAG46876 "PLEK [Homo sapiens]" 97.22 350 99.43 99.43 0.00e+00 GB AAH18549 "Pleckstrin [Homo sapiens]" 97.22 350 99.71 99.71 0.00e+00 GB AAP36299 "Homo sapiens pleckstrin [synthetic construct]" 97.22 351 99.71 99.71 0.00e+00 GB AAX37008 "pleckstrin [synthetic construct]" 97.22 351 99.71 99.71 0.00e+00 GB AAX43402 "pleckstrin [synthetic construct]" 97.22 351 99.71 99.71 0.00e+00 GB AAX93121 "unknown [Homo sapiens]" 97.22 350 99.43 99.71 0.00e+00 PRF 1408254A "protein kinase C substrate protein P47" 97.22 350 99.71 99.71 0.00e+00 REF NP_002655 "pleckstrin [Homo sapiens]" 97.22 350 99.43 99.71 0.00e+00 REF XP_001094492 "PREDICTED: pleckstrin [Macaca mulatta]" 97.22 350 98.86 99.71 0.00e+00 REF XP_002811995 "PREDICTED: pleckstrin [Pongo abelii]" 97.22 350 98.86 99.14 0.00e+00 REF XP_003262529 "PREDICTED: pleckstrin [Nomascus leucogenys]" 97.22 350 98.57 99.71 0.00e+00 REF XP_003830964 "PREDICTED: pleckstrin [Pan paniscus]" 97.22 350 99.14 99.71 0.00e+00 SP P08567 "RecName: Full=Pleckstrin; AltName: Full=Platelet 47 kDa protein; Short=p47 [Homo sapiens]" 97.22 350 99.43 99.71 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C-PH 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 $C-PH 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-PH 0.4 mM '[U-2H; U-13C; U-15N]' 'sodium phosphate buffer' 20 mM . NaCl 100 mM . DTT 2 mM . 'sodium azide' 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_Triple-resonance_experiments_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Triple-resonance experiments' _Sample_label $sample_1 save_ save_HCCH_tocsy_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH tocsy' _Sample_label $sample_1 save_ save_13C-HMQC-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HMQC-NOESY _Sample_label $sample_1 save_ save_15N-HSQC-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20mM sodium phosphate buffer pH 6.8, 100mM NaCl, 2mM DTT, 0.02% sodium azide.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 5 mM pH 6.8 0.1 pH temperature 295 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . 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 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'almost complete 1H,13C,15N chemical shifts' loop_ _Software_label $nmrview stop_ loop_ _Experiment_label '1H15N HSQC' '1H13C HSQC' 'Triple-resonance experiments' 'HCCH tocsy' 13C-HMQC-NOESY 15N-HSQC-NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'pleckstrin C-PH' _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 1 234 244 ASP H H 8.220 0.02 1 2 234 244 ASP HA H 4.470 0.02 1 3 234 244 ASP HB2 H 2.560 0.02 2 4 234 244 ASP HB3 H 2.560 0.02 2 5 234 244 ASP CA C 55.100 0.2 1 6 234 244 ASP CB C 41.300 0.2 1 7 234 244 ASP N N 120.970 0.1 1 8 235 245 VAL H H 7.820 0.02 1 9 235 245 VAL HA H 3.948 0.02 1 10 235 245 VAL HB H 1.945 0.02 1 11 235 245 VAL HG1 H 0.789 0.02 1 12 235 245 VAL CA C 62.848 0.2 1 13 235 245 VAL CB C 33.128 0.2 1 14 235 245 VAL CG1 C 21.254 0.2 2 15 235 245 VAL N N 119.672 0.1 1 16 236 246 ILE H H 8.053 0.02 1 17 236 246 ILE HA H 3.989 0.02 1 18 236 246 ILE HB H 1.732 0.02 1 19 236 246 ILE HG12 H 1.358 0.02 9 20 236 246 ILE HG13 H 1.068 0.02 9 21 236 246 ILE HG2 H 0.751 0.02 1 22 236 246 ILE HD1 H 0.718 0.02 1 23 236 246 ILE CA C 61.313 0.2 1 24 236 246 ILE CB C 38.624 0.2 1 25 236 246 ILE CG1 C 27.737 0.2 1 26 236 246 ILE CG2 C 17.789 0.2 1 27 236 246 ILE CD1 C 12.964 0.2 1 28 236 246 ILE N N 124.400 0.1 1 29 237 247 LEU H H 8.200 0.02 1 30 237 247 LEU HA H 4.266 0.02 1 31 237 247 LEU HB2 H 1.465 0.02 2 32 237 247 LEU HB3 H 1.436 0.02 2 33 237 247 LEU HG H 1.498 0.02 1 34 237 247 LEU HD1 H 0.705 0.02 1 35 237 247 LEU HD2 H 0.780 0.02 1 36 237 247 LEU CA C 55.129 0.2 1 37 237 247 LEU CB C 43.188 0.2 1 38 237 247 LEU CG C 27.333 0.2 1 39 237 247 LEU CD1 C 24.050 0.2 2 40 237 247 LEU CD2 C 25.310 0.2 2 41 237 247 LEU N N 126.600 0.1 1 42 238 248 LYS H H 8.290 0.02 1 43 238 248 LYS HA H 4.130 0.02 1 44 238 248 LYS HB2 H 1.892 0.02 2 45 238 248 LYS HB3 H 1.683 0.02 2 46 238 248 LYS HG2 H 1.374 0.02 2 47 238 248 LYS HG3 H 1.502 0.02 2 48 238 248 LYS HD2 H 1.595 0.02 2 49 238 248 LYS HE2 H 2.896 0.02 2 50 238 248 LYS CA C 57.369 0.2 1 51 238 248 LYS CB C 33.500 0.2 1 52 238 248 LYS CG C 25.700 0.2 1 53 238 248 LYS CD C 29.550 0.2 1 54 238 248 LYS N N 122.800 0.1 1 55 239 249 GLU H H 8.500 0.02 1 56 239 249 GLU HA H 3.683 0.02 1 57 239 249 GLU HB2 H 1.900 0.02 2 58 239 249 GLU HB3 H 1.830 0.02 2 59 239 249 GLU HG2 H 2.161 0.02 2 60 239 249 GLU CA C 59.850 0.2 1 61 239 249 GLU CB C 30.025 0.2 1 62 239 249 GLU CG C 36.400 0.2 1 63 239 249 GLU N N 122.700 0.1 1 64 240 250 GLU H H 7.981 0.02 1 65 240 250 GLU HA H 3.250 0.02 1 66 240 250 GLU HB2 H 0.885 0.02 2 67 240 250 GLU HB3 H 0.638 0.02 2 68 240 250 GLU HG2 H 1.097 0.02 2 69 240 250 GLU HG3 H 0.420 0.02 2 70 240 250 GLU CA C 57.960 0.2 1 71 240 250 GLU CB C 28.800 0.2 1 72 240 250 GLU CG C 35.400 0.2 1 73 240 250 GLU N N 113.500 0.1 1 74 241 251 PHE H H 7.412 0.02 1 75 241 251 PHE HA H 4.569 0.02 1 76 241 251 PHE HB2 H 3.324 0.02 2 77 241 251 PHE HB3 H 2.497 0.02 2 78 241 251 PHE HD1 H 6.816 0.02 3 79 241 251 PHE HE1 H 6.476 0.02 3 80 241 251 PHE HZ H 6.715 0.02 1 81 241 251 PHE CA C 56.540 0.2 1 82 241 251 PHE CB C 39.959 0.2 1 83 241 251 PHE CD1 C 131.182 0.2 3 84 241 251 PHE CE1 C 130.782 0.2 3 85 241 251 PHE CZ C 129.319 0.2 1 86 241 251 PHE N N 115.818 0.1 1 87 242 252 ARG H H 7.680 0.02 1 88 242 252 ARG HA H 4.090 0.02 1 89 242 252 ARG HB2 H 1.878 0.02 2 90 242 252 ARG HB3 H 1.770 0.02 2 91 242 252 ARG HG2 H 1.606 0.02 2 92 242 252 ARG HG3 H 1.736 0.02 2 93 242 252 ARG HD2 H 3.100 0.02 2 94 242 252 ARG HD3 H 3.140 0.02 2 95 242 252 ARG CA C 58.400 0.2 1 96 242 252 ARG CB C 31.450 0.2 1 97 242 252 ARG CG C 28.368 0.2 1 98 242 252 ARG CD C 44.000 0.2 1 99 242 252 ARG N N 118.896 0.1 1 100 243 253 GLY H H 8.732 0.02 1 101 243 253 GLY HA2 H 4.118 0.02 2 102 243 253 GLY HA3 H 3.749 0.02 2 103 243 253 GLY CA C 45.650 0.2 1 104 243 253 GLY N N 109.137 0.1 1 105 244 254 VAL H H 8.280 0.02 1 106 244 254 VAL HA H 3.985 0.02 1 107 244 254 VAL HB H 1.945 0.02 1 108 244 254 VAL HG1 H 0.993 0.02 1 109 244 254 VAL HG2 H 0.864 0.02 1 110 244 254 VAL CA C 62.393 0.2 1 111 244 254 VAL CB C 33.600 0.2 1 112 244 254 VAL CG1 C 21.856 0.2 2 113 244 254 VAL CG2 C 21.508 0.2 2 114 244 254 VAL N N 120.740 0.1 1 115 245 255 ILE H H 8.486 0.02 1 116 245 255 ILE HA H 4.116 0.02 1 117 245 255 ILE HB H 1.645 0.02 1 118 245 255 ILE HG12 H 1.803 0.02 9 119 245 255 ILE HG13 H 0.694 0.02 9 120 245 255 ILE HG2 H 0.770 0.02 1 121 245 255 ILE HD1 H 0.832 0.02 1 122 245 255 ILE CA C 63.169 0.2 1 123 245 255 ILE CB C 39.025 0.2 1 124 245 255 ILE CG1 C 28.842 0.2 1 125 245 255 ILE CG2 C 17.478 0.2 1 126 245 255 ILE CD1 C 14.372 0.2 1 127 245 255 ILE N N 125.080 0.1 1 128 246 256 ILE H H 9.054 0.02 1 129 246 256 ILE HA H 4.380 0.02 1 130 246 256 ILE HB H 1.721 0.02 1 131 246 256 ILE HG12 H 1.081 0.02 9 132 246 256 ILE HG2 H 0.805 0.02 1 133 246 256 ILE HD1 H 0.695 0.02 1 134 246 256 ILE CA C 60.791 0.2 1 135 246 256 ILE CB C 40.020 0.2 1 136 246 256 ILE CG1 C 27.085 0.2 1 137 246 256 ILE CG2 C 18.534 0.2 1 138 246 256 ILE CD1 C 12.970 0.2 1 139 246 256 ILE N N 124.394 0.1 1 140 247 257 LYS H H 7.541 0.02 1 141 247 257 LYS HA H 4.249 0.02 1 142 247 257 LYS HB2 H 1.269 0.02 2 143 247 257 LYS HB3 H 1.016 0.02 2 144 247 257 LYS HG2 H 0.119 0.02 2 145 247 257 LYS HG3 H 0.956 0.02 2 146 247 257 LYS HD2 H -0.434 0.02 2 147 247 257 LYS HD3 H 0.672 0.02 2 148 247 257 LYS HE2 H 1.485 0.02 2 149 247 257 LYS HE3 H 1.058 0.02 2 150 247 257 LYS CA C 57.523 0.2 1 151 247 257 LYS CB C 36.650 0.2 1 152 247 257 LYS CG C 25.760 0.2 1 153 247 257 LYS CD C 29.300 0.2 1 154 247 257 LYS CE C 40.200 0.2 1 155 247 257 LYS N N 121.824 0.1 1 156 248 258 GLN H H 8.491 0.02 1 157 248 258 GLN HA H 5.863 0.02 1 158 248 258 GLN HB2 H 2.118 0.02 2 159 248 258 GLN HG2 H 2.241 0.02 2 160 248 258 GLN HE21 H 7.435 0.02 2 161 248 258 GLN HE22 H 6.712 0.02 2 162 248 258 GLN CA C 54.417 0.2 1 163 248 258 GLN CB C 33.813 0.2 1 164 248 258 GLN CG C 33.794 0.2 1 165 248 258 GLN N N 121.567 0.1 1 166 248 258 GLN NE2 N 111.253 0.1 1 167 249 259 GLY H H 9.105 0.02 1 168 249 259 GLY HA2 H 4.360 0.02 2 169 249 259 GLY HA3 H 4.851 0.02 2 170 249 259 GLY CA C 45.887 0.2 1 171 249 259 GLY N N 108.527 0.1 1 172 250 260 CYS H H 9.200 0.02 1 173 250 260 CYS HA H 5.823 0.02 1 174 250 260 CYS HB2 H 2.658 0.02 2 175 250 260 CYS HB3 H 3.002 0.02 2 176 250 260 CYS CA C 59.504 0.2 1 177 250 260 CYS CB C 29.438 0.2 1 178 250 260 CYS N N 118.516 0.1 1 179 251 261 LEU H H 9.073 0.02 1 180 251 261 LEU HA H 4.551 0.02 1 181 251 261 LEU HB2 H 0.813 0.02 2 182 251 261 LEU HB3 H 1.192 0.02 2 183 251 261 LEU HG H 0.789 0.02 1 184 251 261 LEU HD1 H -1.120 0.02 1 185 251 261 LEU HD2 H 0.552 0.02 1 186 251 261 LEU CA C 54.173 0.2 1 187 251 261 LEU CB C 47.544 0.2 1 188 251 261 LEU CG C 26.752 0.2 1 189 251 261 LEU CD1 C 24.261 0.2 2 190 251 261 LEU CD2 C 24.174 0.2 2 191 251 261 LEU N N 122.884 0.1 1 192 252 262 LEU H H 7.870 0.02 1 193 252 262 LEU HA H 4.965 0.02 1 194 252 262 LEU HB2 H 1.495 0.02 2 195 252 262 LEU HB3 H 1.700 0.02 2 196 252 262 LEU HG H 1.549 0.02 1 197 252 262 LEU HD1 H 0.654 0.02 1 198 252 262 LEU HD2 H 0.565 0.02 1 199 252 262 LEU CA C 55.120 0.2 1 200 252 262 LEU CB C 44.466 0.2 1 201 252 262 LEU CG C 28.092 0.2 1 202 252 262 LEU CD1 C 25.289 0.2 2 203 252 262 LEU CD2 C 25.512 0.2 2 204 252 262 LEU N N 119.801 0.1 1 205 253 263 LYS H H 9.266 0.02 1 206 253 263 LYS HA H 5.110 0.02 1 207 253 263 LYS HB2 H 1.480 0.02 2 208 253 263 LYS HB3 H 1.623 0.02 2 209 253 263 LYS HG2 H 1.147 0.02 2 210 253 263 LYS HG3 H 1.404 0.02 2 211 253 263 LYS HD2 H 1.137 0.02 2 212 253 263 LYS HD3 H 0.880 0.02 2 213 253 263 LYS HE2 H 2.548 0.02 2 214 253 263 LYS HE3 H 2.484 0.02 2 215 253 263 LYS CA C 54.931 0.2 1 216 253 263 LYS CB C 37.400 0.2 1 217 253 263 LYS CG C 25.050 0.2 1 218 253 263 LYS CD C 29.550 0.2 1 219 253 263 LYS CE C 41.440 0.2 1 220 253 263 LYS N N 122.884 0.1 1 221 254 264 GLN H H 8.161 0.02 1 222 254 264 GLN HA H 3.722 0.02 1 223 254 264 GLN HB2 H 1.462 0.02 2 224 254 264 GLN HB3 H -0.020 0.02 2 225 254 264 GLN HG2 H 1.700 0.02 2 226 254 264 GLN HG3 H 0.550 0.02 2 227 254 264 GLN HE21 H 6.347 0.02 2 228 254 264 GLN HE22 H 6.441 0.02 2 229 254 264 GLN CA C 56.067 0.2 1 230 254 264 GLN CB C 29.550 0.2 1 231 254 264 GLN CG C 34.500 0.2 1 232 254 264 GLN N N 132.648 0.1 1 233 254 264 GLN NE2 N 110.738 0.1 1 234 255 265 GLY H H 8.500 0.02 1 235 255 265 GLY HA2 H 4.001 0.02 2 236 255 265 GLY HA3 H 4.152 0.02 2 237 255 265 GLY CA C 46.124 0.2 1 238 255 265 GLY N N 115.946 0.1 1 239 257 267 ARG H H 8.295 0.02 1 240 257 267 ARG HA H 4.032 0.02 1 241 257 267 ARG HB2 H 1.662 0.02 2 242 257 267 ARG HB3 H 1.726 0.02 2 243 257 267 ARG HG2 H 1.292 0.02 2 244 257 267 ARG HD2 H 3.043 0.02 2 245 257 267 ARG CA C 57.487 0.2 1 246 257 267 ARG CG C 27.700 0.2 1 247 257 267 ARG CD C 43.500 0.2 1 248 257 267 ARG N N 125.240 0.1 1 249 258 268 ARG HA H 3.821 0.02 1 250 258 268 ARG HB2 H 1.669 0.02 2 251 258 268 ARG HG2 H 1.409 0.02 2 252 258 268 ARG HG3 H 1.320 0.02 2 253 258 268 ARG HD2 H 2.984 0.02 2 254 258 268 ARG CA C 56.300 0.2 1 255 258 268 ARG CB C 30.260 0.2 1 256 258 268 ARG CG C 27.658 0.2 1 257 258 268 ARG CD C 43.519 0.2 1 258 259 269 LYS H H 7.925 0.02 1 259 259 269 LYS HA H 4.050 0.02 1 260 259 269 LYS HB2 H 1.690 0.02 2 261 259 269 LYS HB3 H 1.630 0.02 2 262 259 269 LYS HG2 H 1.195 0.02 2 263 259 269 LYS HG3 H 1.095 0.02 2 264 259 269 LYS HD2 H 1.440 0.02 1 265 259 269 LYS HD3 H 1.440 0.02 1 266 259 269 LYS HE2 H 2.800 0.02 2 267 259 269 LYS CA C 56.327 0.2 1 268 259 269 LYS CB C 31.400 0.2 1 269 259 269 LYS CG C 24.817 0.2 1 270 259 269 LYS CD C 29.100 0.2 1 271 259 269 LYS CE C 42.100 0.2 1 272 259 269 LYS N N 117.740 0.1 1 273 260 270 ASN H H 7.848 0.02 1 274 260 270 ASN HA H 4.703 0.02 1 275 260 270 ASN HB2 H 2.741 0.02 2 276 260 270 ASN HB3 H 3.235 0.02 2 277 260 270 ASN HD21 H 7.595 0.02 2 278 260 270 ASN HD22 H 6.940 0.02 2 279 260 270 ASN CA C 52.515 0.2 1 280 260 270 ASN CB C 40.200 0.2 1 281 260 270 ASN N N 117.231 0.1 1 282 260 270 ASN ND2 N 113.400 0.1 1 283 261 271 TRP H H 8.640 0.02 1 284 261 271 TRP HA H 4.781 0.02 1 285 261 271 TRP HB2 H 2.870 0.02 2 286 261 271 TRP HB3 H 2.931 0.02 2 287 261 271 TRP HD1 H 7.225 0.02 1 288 261 271 TRP HE1 H 10.266 0.02 1 289 261 271 TRP HE3 H 6.963 0.02 1 290 261 271 TRP HZ2 H 7.192 0.02 1 291 261 271 TRP HZ3 H 6.700 0.02 1 292 261 271 TRP HH2 H 6.677 0.02 1 293 261 271 TRP CA C 57.014 0.2 1 294 261 271 TRP CB C 31.528 0.2 1 295 261 271 TRP CD1 C 128.488 0.2 1 296 261 271 TRP CE3 C 120.100 0.2 1 297 261 271 TRP CZ2 C 115.073 0.2 1 298 261 271 TRP CZ3 C 122.600 0.2 1 299 261 271 TRP CH2 C 124.156 0.2 1 300 261 271 TRP N N 121.182 0.1 1 301 261 271 TRP NE1 N 130.993 0.1 1 302 262 272 LYS H H 8.392 0.02 1 303 262 272 LYS HA H 4.772 0.02 1 304 262 272 LYS HB2 H 1.630 0.02 2 305 262 272 LYS HG2 H 1.323 0.02 2 306 262 272 LYS HD2 H 1.775 0.02 2 307 262 272 LYS HE2 H 2.872 0.02 2 308 262 272 LYS CA C 55.120 0.2 1 309 262 272 LYS CB C 37.127 0.2 1 310 262 272 LYS CG C 25.146 0.2 1 311 262 272 LYS N N 120.925 0.1 1 312 263 273 VAL H H 8.894 0.02 1 313 263 273 VAL HA H 4.189 0.02 1 314 263 273 VAL HB H 1.992 0.02 1 315 263 273 VAL HG1 H 0.903 0.02 1 316 263 273 VAL HG2 H 0.991 0.02 1 317 263 273 VAL CA C 64.127 0.2 1 318 263 273 VAL CB C 32.051 0.2 1 319 263 273 VAL CG1 C 21.692 0.2 2 320 263 273 VAL CG2 C 22.450 0.2 2 321 263 273 VAL N N 123.783 0.1 1 322 264 274 ARG H H 9.250 0.02 1 323 264 274 ARG HA H 4.862 0.02 1 324 264 274 ARG HB2 H 1.564 0.02 2 325 264 274 ARG HD2 H 2.842 0.02 2 326 264 274 ARG CA C 54.800 0.2 1 327 264 274 ARG CB C 34.742 0.2 1 328 264 274 ARG CD C 43.520 0.2 1 329 264 274 ARG N N 129.243 0.1 1 330 265 275 LYS H H 8.676 0.02 1 331 265 275 LYS HA H 4.874 0.02 1 332 265 275 LYS HB2 H 1.620 0.02 2 333 265 275 LYS HG2 H 1.350 0.02 2 334 265 275 LYS HG3 H 1.151 0.02 2 335 265 275 LYS HD2 H 1.577 0.02 2 336 265 275 LYS HD3 H 1.429 0.02 2 337 265 275 LYS HE2 H 2.648 0.02 2 338 265 275 LYS HE3 H 2.600 0.02 2 339 265 275 LYS CA C 56.300 0.2 1 340 265 275 LYS CB C 34.233 0.2 1 341 265 275 LYS CG C 25.500 0.2 1 342 265 275 LYS CD C 29.550 0.2 1 343 265 275 LYS CE C 42.336 0.2 1 344 265 275 LYS N N 121.600 0.1 1 345 266 276 PHE H H 9.678 0.02 1 346 266 276 PHE HA H 5.498 0.02 1 347 266 276 PHE HB2 H 2.691 0.02 2 348 266 276 PHE HB3 H 2.989 0.02 2 349 266 276 PHE HD1 H 7.020 0.02 3 350 266 276 PHE HE1 H 6.732 0.02 3 351 266 276 PHE HZ H 6.360 0.02 1 352 266 276 PHE CA C 57.946 0.2 1 353 266 276 PHE CB C 42.943 0.2 1 354 266 276 PHE CD1 C 132.068 0.2 3 355 266 276 PHE CE1 C 130.989 0.2 3 356 266 276 PHE CZ C 128.502 0.2 1 357 266 276 PHE N N 127.252 0.1 1 358 267 277 ILE H H 9.193 0.02 1 359 267 277 ILE HA H 4.802 0.02 1 360 267 277 ILE HB H 2.160 0.02 1 361 267 277 ILE HG12 H 1.611 0.02 9 362 267 277 ILE HG13 H 1.190 0.02 9 363 267 277 ILE HG2 H 0.996 0.02 1 364 267 277 ILE HD1 H 0.672 0.02 1 365 267 277 ILE CA C 62.458 0.2 1 366 267 277 ILE CB C 41.389 0.2 1 367 267 277 ILE CG1 C 27.778 0.2 1 368 267 277 ILE CG2 C 19.470 0.2 1 369 267 277 ILE CD1 C 13.312 0.2 1 370 267 277 ILE N N 119.319 0.1 1 371 268 278 LEU H H 9.475 0.02 1 372 268 278 LEU HA H 5.414 0.02 1 373 268 278 LEU HB2 H 2.169 0.02 2 374 268 278 LEU HB3 H 1.544 0.02 2 375 268 278 LEU HG H 1.333 0.02 1 376 268 278 LEU HD1 H 0.930 0.02 1 377 268 278 LEU HD2 H 0.710 0.02 1 378 268 278 LEU CA C 54.480 0.2 1 379 268 278 LEU CB C 45.887 0.2 1 380 268 278 LEU CG C 28.100 0.2 1 381 268 278 LEU CD1 C 25.915 0.2 2 382 268 278 LEU CD2 C 27.900 0.2 2 383 268 278 LEU N N 132.423 0.1 1 384 269 279 ARG H H 9.326 0.02 1 385 269 279 ARG HA H 5.434 0.02 1 386 269 279 ARG HB2 H 1.716 0.02 2 387 269 279 ARG HB3 H 1.672 0.02 2 388 269 279 ARG HG2 H 1.330 0.02 2 389 269 279 ARG HG3 H 1.720 0.02 2 390 269 279 ARG HD2 H 3.314 0.02 2 391 269 279 ARG HD3 H 3.150 0.02 2 392 269 279 ARG HE H 7.190 0.02 1 393 269 279 ARG HH21 H 6.570 0.02 9 394 269 279 ARG CA C 54.600 0.2 1 395 269 279 ARG CB C 35.900 0.2 1 396 269 279 ARG CG C 30.500 0.2 1 397 269 279 ARG CD C 44.700 0.2 1 398 269 279 ARG N N 128.537 0.1 1 399 270 280 GLU H H 8.188 0.02 1 400 270 280 GLU HA H 4.265 0.02 1 401 270 280 GLU HB2 H 1.938 0.02 2 402 270 280 GLU HB3 H 1.826 0.02 2 403 270 280 GLU HG2 H 2.130 0.02 2 404 270 280 GLU HG3 H 2.061 0.02 2 405 270 280 GLU CA C 55.303 0.2 1 406 270 280 GLU CB C 33.400 0.2 1 407 270 280 GLU CG C 36.200 0.2 1 408 270 280 GLU N N 115.626 0.1 1 409 271 281 ASP H H 7.718 0.02 1 410 271 281 ASP HA H 4.363 0.02 1 411 271 281 ASP HB2 H 3.019 0.02 2 412 271 281 ASP HB3 H 2.371 0.02 2 413 271 281 ASP CA C 53.988 0.2 1 414 271 281 ASP CB C 41.547 0.2 1 415 271 281 ASP N N 114.116 0.1 1 416 272 282 PRO HA H 4.671 0.02 1 417 272 282 PRO HB2 H 2.420 0.02 2 418 272 282 PRO HB3 H 2.040 0.02 2 419 272 282 PRO HG2 H 1.920 0.02 2 420 272 282 PRO HG3 H 2.020 0.02 2 421 272 282 PRO HD2 H 3.558 0.02 2 422 272 282 PRO HD3 H 3.447 0.02 2 423 272 282 PRO CA C 63.500 0.2 1 424 272 282 PRO CB C 35.200 0.2 1 425 272 282 PRO CG C 25.500 0.2 1 426 272 282 PRO CD C 51.100 0.2 1 427 273 283 ALA H H 8.426 0.02 1 428 273 283 ALA HA H 4.963 0.02 1 429 273 283 ALA HB H 1.179 0.02 1 430 273 283 ALA CA C 51.929 0.2 1 431 273 283 ALA CB C 19.938 0.2 1 432 273 283 ALA N N 123.045 0.1 1 433 274 284 TYR H H 7.989 0.02 1 434 274 284 TYR HA H 5.054 0.02 1 435 274 284 TYR HB2 H 2.551 0.02 2 436 274 284 TYR HB3 H 2.697 0.02 2 437 274 284 TYR HD1 H 6.494 0.02 3 438 274 284 TYR HE1 H 6.390 0.02 3 439 274 284 TYR CA C 57.745 0.2 1 440 274 284 TYR CB C 46.121 0.2 1 441 274 284 TYR CD1 C 132.465 0.2 3 442 274 284 TYR CE1 C 117.519 0.2 3 443 274 284 TYR N N 126.674 0.1 1 444 275 285 LEU H H 8.709 0.02 1 445 275 285 LEU HA H 5.501 0.02 1 446 275 285 LEU HB2 H 1.912 0.02 2 447 275 285 LEU HB3 H 1.391 0.02 2 448 275 285 LEU HG H 1.660 0.02 1 449 275 285 LEU HD1 H 1.118 0.02 1 450 275 285 LEU HD2 H 0.753 0.02 1 451 275 285 LEU CA C 53.469 0.2 1 452 275 285 LEU CB C 46.758 0.2 1 453 275 285 LEU CG C 27.604 0.2 1 454 275 285 LEU CD1 C 25.995 0.2 2 455 275 285 LEU CD2 C 26.352 0.2 2 456 275 285 LEU N N 120.893 0.1 1 457 276 286 HIS H H 8.911 0.02 1 458 276 286 HIS HA H 5.120 0.02 1 459 276 286 HIS HB2 H 2.792 0.02 2 460 276 286 HIS HB3 H 3.042 0.02 2 461 276 286 HIS HD2 H 6.647 0.02 1 462 276 286 HIS HE1 H 7.700 0.02 1 463 276 286 HIS CA C 58.200 0.2 1 464 276 286 HIS CB C 35.481 0.2 1 465 276 286 HIS CD2 C 117.060 0.2 1 466 276 286 HIS CE1 C 138.203 0.2 1 467 276 286 HIS N N 124.362 0.1 1 468 277 287 TYR H H 7.321 0.02 1 469 277 287 TYR HA H 5.852 0.02 1 470 277 287 TYR HB2 H 1.599 0.02 1 471 277 287 TYR HB3 H 1.599 0.02 1 472 277 287 TYR HD1 H 6.359 0.02 3 473 277 287 TYR HE1 H 6.527 0.02 3 474 277 287 TYR CA C 54.094 0.2 1 475 277 287 TYR CB C 40.440 0.2 1 476 277 287 TYR CD1 C 133.484 0.2 3 477 277 287 TYR CE1 C 117.683 0.2 3 478 277 287 TYR N N 114.340 0.1 1 479 278 288 TYR H H 9.152 0.02 1 480 278 288 TYR HA H 4.486 0.02 1 481 278 288 TYR HB2 H 3.065 0.02 2 482 278 288 TYR HB3 H 2.453 0.02 2 483 278 288 TYR HD1 H 6.916 0.02 3 484 278 288 TYR HE1 H 6.533 0.02 3 485 278 288 TYR CA C 57.352 0.2 1 486 278 288 TYR CB C 43.259 0.2 1 487 278 288 TYR CD1 C 133.397 0.2 3 488 278 288 TYR CE1 C 118.632 0.2 3 489 278 288 TYR N N 117.681 0.1 1 490 279 289 ASP H H 9.325 0.02 1 491 279 289 ASP HA H 4.869 0.02 1 492 279 289 ASP HB2 H 2.622 0.02 2 493 279 289 ASP HB3 H 2.889 0.02 2 494 279 289 ASP CA C 52.515 0.2 1 495 279 289 ASP CB C 42.809 0.2 1 496 279 289 ASP N N 124.008 0.1 1 497 280 290 PRO HA H 4.216 0.02 1 498 280 290 PRO HB2 H 2.196 0.02 2 499 280 290 PRO HB3 H 2.015 0.02 2 500 280 290 PRO HG2 H 1.840 0.02 2 501 280 290 PRO HG3 H 2.025 0.02 2 502 280 290 PRO HD2 H 4.050 0.02 2 503 280 290 PRO HD3 H 4.190 0.02 2 504 280 290 PRO CA C 65.068 0.2 1 505 280 290 PRO CB C 32.407 0.2 1 506 280 290 PRO CG C 28.150 0.2 1 507 280 290 PRO CD C 51.850 0.2 1 508 281 291 ALA H H 8.325 0.02 1 509 281 291 ALA HA H 4.420 0.02 1 510 281 291 ALA HB H 1.350 0.02 1 511 281 291 ALA CA C 52.330 0.2 1 512 281 291 ALA CB C 19.411 0.2 1 513 281 291 ALA N N 120.154 0.1 1 514 282 292 GLY H H 7.641 0.02 1 515 282 292 GLY HA2 H 4.123 0.02 2 516 282 292 GLY HA3 H 3.763 0.02 2 517 282 292 GLY CA C 45.720 0.2 1 518 282 292 GLY N N 107.810 0.1 1 519 283 293 ALA H H 8.290 0.02 1 520 283 293 ALA HA H 4.293 0.02 1 521 283 293 ALA HB H 1.439 0.02 1 522 283 293 ALA CA C 52.763 0.2 1 523 283 293 ALA CB C 19.955 0.2 1 524 283 293 ALA N N 125.293 0.1 1 525 284 294 GLU H H 8.533 0.02 1 526 284 294 GLU HA H 4.078 0.02 1 527 284 294 GLU HB2 H 1.958 0.02 2 528 284 294 GLU HB3 H 1.850 0.02 2 529 284 294 GLU HG2 H 2.130 0.02 2 530 284 294 GLU CA C 57.960 0.2 1 531 284 294 GLU CB C 30.300 0.2 1 532 284 294 GLU CG C 36.900 0.2 1 533 284 294 GLU N N 119.351 0.1 1 534 285 295 ASP H H 7.646 0.02 1 535 285 295 ASP HA H 4.944 0.02 1 536 285 295 ASP HB2 H 2.554 0.02 2 537 285 295 ASP HB3 H 2.348 0.02 2 538 285 295 ASP CA C 52.515 0.2 1 539 285 295 ASP CB C 41.232 0.2 1 540 285 295 ASP N N 118.516 0.1 1 541 286 296 PRO HA H 3.420 0.02 1 542 286 296 PRO HB2 H 1.585 0.02 2 543 286 296 PRO HB3 H 1.366 0.02 2 544 286 296 PRO HG2 H 2.000 0.02 2 545 286 296 PRO HG3 H 1.813 0.02 2 546 286 296 PRO HD2 H 3.805 0.02 2 547 286 296 PRO HD3 H 3.670 0.02 2 548 286 296 PRO CA C 63.400 0.2 1 549 286 296 PRO CB C 31.450 0.2 1 550 286 296 PRO CG C 27.400 0.2 1 551 286 296 PRO CD C 50.460 0.2 1 552 287 297 LEU H H 8.712 0.02 1 553 287 297 LEU HA H 4.050 0.02 1 554 287 297 LEU HB2 H 1.410 0.02 2 555 287 297 LEU HB3 H 1.235 0.02 2 556 287 297 LEU HG H 1.681 0.02 1 557 287 297 LEU HD1 H 0.860 0.02 1 558 287 297 LEU HD2 H 0.867 0.02 1 559 287 297 LEU CA C 55.370 0.2 1 560 287 297 LEU CB C 43.082 0.2 1 561 287 297 LEU CG C 27.137 0.2 1 562 287 297 LEU CD1 C 26.711 0.2 2 563 287 297 LEU CD2 C 22.696 0.2 2 564 287 297 LEU N N 122.145 0.1 1 565 288 298 GLY H H 6.405 0.02 1 566 288 298 GLY HA2 H 3.732 0.02 2 567 288 298 GLY HA3 H 3.268 0.02 2 568 288 298 GLY CA C 45.401 0.2 1 569 288 298 GLY N N 103.870 0.1 1 570 289 299 ALA H H 7.946 0.02 1 571 289 299 ALA HA H 4.559 0.02 1 572 289 299 ALA HB H 1.003 0.02 1 573 289 299 ALA CA C 51.332 0.2 1 574 289 299 ALA CB C 24.122 0.2 1 575 289 299 ALA N N 120.443 0.1 1 576 290 300 ILE H H 8.730 0.02 1 577 290 300 ILE HA H 4.043 0.02 1 578 290 300 ILE HB H 1.697 0.02 1 579 290 300 ILE HG12 H 1.266 0.02 9 580 290 300 ILE HG13 H 0.247 0.02 9 581 290 300 ILE HG2 H 0.398 0.02 1 582 290 300 ILE HD1 H -0.013 0.02 1 583 290 300 ILE CA C 61.038 0.2 1 584 290 300 ILE CB C 40.679 0.2 1 585 290 300 ILE CG1 C 26.474 0.2 1 586 290 300 ILE CG2 C 18.372 0.2 1 587 290 300 ILE CD1 C 13.147 0.2 1 588 290 300 ILE N N 122.113 0.1 1 589 291 301 HIS H H 9.013 0.02 1 590 291 301 HIS HA H 3.863 0.02 1 591 291 301 HIS HB2 H 3.082 0.02 2 592 291 301 HIS HB3 H 2.744 0.02 2 593 291 301 HIS HD2 H 6.645 0.02 1 594 291 301 HIS HE1 H 7.710 0.02 1 595 291 301 HIS CA C 55.141 0.2 1 596 291 301 HIS CB C 30.913 0.2 1 597 291 301 HIS CD2 C 119.855 0.2 1 598 291 301 HIS CE1 C 138.203 0.2 1 599 291 301 HIS N N 129.051 0.1 1 600 292 302 LEU H H 7.760 0.02 1 601 292 302 LEU HA H 3.990 0.02 1 602 292 302 LEU HB2 H 1.449 0.02 2 603 292 302 LEU HB3 H 1.286 0.02 2 604 292 302 LEU HG H 1.505 0.02 1 605 292 302 LEU HD1 H 0.729 0.02 1 606 292 302 LEU HD2 H 0.610 0.02 1 607 292 302 LEU CA C 55.400 0.2 1 608 292 302 LEU CB C 42.900 0.2 1 609 292 302 LEU CG C 26.470 0.2 1 610 292 302 LEU CD1 C 28.100 0.2 2 611 292 302 LEU CD2 C 22.410 0.2 2 612 292 302 LEU N N 124.843 0.1 1 613 293 303 ARG H H 6.410 0.02 1 614 293 303 ARG HA H 4.000 0.02 1 615 293 303 ARG HB2 H 1.191 0.02 2 616 293 303 ARG HB3 H 1.510 0.02 2 617 293 303 ARG HG2 H 1.577 0.02 2 618 293 303 ARG HG3 H 1.380 0.02 2 619 293 303 ARG HD2 H 3.140 0.02 2 620 293 303 ARG HD3 H 3.168 0.02 2 621 293 303 ARG CA C 58.400 0.2 1 622 293 303 ARG CB C 29.523 0.2 1 623 293 303 ARG CG C 27.000 0.2 1 624 293 303 ARG CD C 43.700 0.2 1 625 293 303 ARG N N 120.571 0.1 1 626 294 304 GLY H H 9.203 0.02 1 627 294 304 GLY HA2 H 3.973 0.02 2 628 294 304 GLY HA3 H 3.753 0.02 2 629 294 304 GLY CA C 46.597 0.2 1 630 294 304 GLY N N 118.000 0.1 1 631 295 305 CYS H H 7.734 0.02 1 632 295 305 CYS HA H 4.745 0.02 1 633 295 305 CYS HB2 H 2.778 0.02 2 634 295 305 CYS HG H 2.140 0.02 1 635 295 305 CYS CA C 57.960 0.2 1 636 295 305 CYS CB C 28.999 0.2 1 637 295 305 CYS N N 116.107 0.1 1 638 296 306 VAL H H 8.610 0.02 1 639 296 306 VAL HA H 4.290 0.02 1 640 296 306 VAL HB H 1.777 0.02 1 641 296 306 VAL HG1 H 0.829 0.02 1 642 296 306 VAL HG2 H 0.817 0.02 1 643 296 306 VAL CA C 61.781 0.2 1 644 296 306 VAL CB C 35.364 0.2 1 645 296 306 VAL CG1 C 21.543 0.2 2 646 296 306 VAL CG2 C 21.503 0.2 2 647 296 306 VAL N N 120.314 0.1 1 648 297 307 VAL H H 8.607 0.02 1 649 297 307 VAL HA H 5.476 0.02 1 650 297 307 VAL HB H 1.875 0.02 1 651 297 307 VAL HG1 H 0.954 0.02 1 652 297 307 VAL HG2 H 0.987 0.02 1 653 297 307 VAL CA C 59.376 0.2 1 654 297 307 VAL CB C 34.622 0.2 1 655 297 307 VAL CG1 C 23.164 0.2 2 656 297 307 VAL CG2 C 21.673 0.2 2 657 297 307 VAL N N 124.747 0.1 1 658 298 308 THR H H 8.824 0.02 1 659 298 308 THR HA H 4.686 0.02 1 660 298 308 THR HB H 3.939 0.02 1 661 298 308 THR HG2 H 1.108 0.02 1 662 298 308 THR CA C 60.328 0.2 1 663 298 308 THR CB C 71.490 0.2 1 664 298 308 THR CG2 C 21.164 0.2 1 665 298 308 THR N N 120.122 0.1 1 666 299 309 SER H H 8.627 0.02 1 667 299 309 SER HA H 4.390 0.02 1 668 299 309 SER HB2 H 3.700 0.02 2 669 299 309 SER HB3 H 3.683 0.02 2 670 299 309 SER CA C 59.575 0.2 1 671 299 309 SER CB C 63.880 0.2 1 672 299 309 SER N N 120.186 0.1 1 673 300 310 VAL H H 7.757 0.02 1 674 300 310 VAL HA H 4.227 0.02 1 675 300 310 VAL HB H 1.819 0.02 1 676 300 310 VAL HG1 H 0.936 0.02 1 677 300 310 VAL HG2 H 0.936 0.02 1 678 300 310 VAL CA C 62.293 0.2 1 679 300 310 VAL CB C 34.079 0.2 1 680 300 310 VAL CG1 C 21.580 0.2 1 681 300 310 VAL CG2 C 21.580 0.2 1 682 300 310 VAL N N 125.300 0.1 1 683 301 311 GLU H H 8.618 0.02 1 684 301 311 GLU HA H 4.467 0.02 1 685 301 311 GLU HB2 H 1.826 0.02 2 686 301 311 GLU HB3 H 2.041 0.02 2 687 301 311 GLU HG2 H 2.189 0.02 2 688 301 311 GLU HG3 H 2.256 0.02 2 689 301 311 GLU CA C 56.057 0.2 1 690 301 311 GLU CB C 31.110 0.2 1 691 301 311 GLU CG C 36.417 0.2 1 692 301 311 GLU N N 126.610 0.1 1 693 302 312 SER H H 8.564 0.02 1 694 302 312 SER HA H 4.382 0.02 1 695 302 312 SER HB2 H 3.796 0.02 2 696 302 312 SER CA C 58.652 0.2 1 697 302 312 SER CB C 64.327 0.2 1 698 302 312 SER N N 118.002 0.1 1 699 303 313 ASN H H 8.601 0.02 1 700 303 313 ASN HA H 4.737 0.02 1 701 303 313 ASN HB2 H 2.754 0.02 2 702 303 313 ASN HD21 H 7.553 0.02 2 703 303 313 ASN HD22 H 6.847 0.02 2 704 303 313 ASN CA C 53.462 0.2 1 705 303 313 ASN CB C 39.280 0.2 1 706 303 313 ASN N N 121.149 0.1 1 707 303 313 ASN ND2 N 112.879 0.1 1 708 304 314 SER H H 8.330 0.02 1 709 304 314 SER HA H 4.407 0.02 1 710 304 314 SER HB2 H 3.778 0.02 2 711 304 314 SER CA C 58.671 0.2 1 712 304 314 SER CB C 64.267 0.2 1 713 304 314 SER N N 116.460 0.1 1 714 305 315 ASN H H 8.604 0.02 1 715 305 315 ASN HA H 4.564 0.02 1 716 305 315 ASN HB2 H 2.806 0.02 2 717 305 315 ASN HB3 H 2.702 0.02 2 718 305 315 ASN HD21 H 6.849 0.02 2 719 305 315 ASN HD22 H 7.511 0.02 2 720 305 315 ASN CA C 54.173 0.2 1 721 305 315 ASN CB C 38.900 0.2 1 722 305 315 ASN N N 120.200 0.1 1 723 305 315 ASN ND2 N 112.591 0.1 1 724 306 316 GLY H H 8.331 0.02 1 725 306 316 GLY HA2 H 4.001 0.02 2 726 306 316 GLY HA3 H 4.152 0.02 2 727 306 316 GLY CA C 46.124 0.2 1 728 306 316 GLY N N 108.276 0.1 1 729 307 317 ARG H H 7.850 0.02 1 730 307 317 ARG HA H 4.286 0.02 1 731 307 317 ARG HB2 H 1.763 0.02 2 732 307 317 ARG HB3 H 1.685 0.02 2 733 307 317 ARG HG2 H 1.523 0.02 2 734 307 317 ARG HD2 H 3.095 0.02 2 735 307 317 ARG CA C 56.540 0.2 1 736 307 317 ARG CB C 30.970 0.2 1 737 307 317 ARG CG C 27.483 0.2 1 738 307 317 ARG CD C 43.359 0.2 1 739 307 317 ARG N N 120.507 0.1 1 740 308 318 LYS H H 8.370 0.02 1 741 308 318 LYS HA H 4.273 0.02 1 742 308 318 LYS HB2 H 1.750 0.02 2 743 308 318 LYS HB3 H 1.666 0.02 2 744 308 318 LYS HG2 H 1.340 0.02 2 745 308 318 LYS HD2 H 1.581 0.02 2 746 308 318 LYS HE2 H 2.918 0.02 2 747 308 318 LYS CA C 56.558 0.2 1 748 308 318 LYS CB C 32.890 0.2 1 749 308 318 LYS CG C 24.920 0.2 1 750 308 318 LYS CD C 29.300 0.2 1 751 308 318 LYS CE C 42.512 0.2 1 752 308 318 LYS N N 122.980 0.1 1 753 309 319 SER H H 8.380 0.02 1 754 309 319 SER HA H 4.312 0.02 1 755 309 319 SER HB2 H 3.770 0.02 2 756 309 319 SER CA C 59.178 0.2 1 757 309 319 SER CB C 63.196 0.2 1 758 309 319 SER N N 118.034 0.1 1 759 310 320 GLU H H 8.557 0.02 1 760 310 320 GLU HA H 4.163 0.02 1 761 310 320 GLU HB2 H 2.011 0.02 2 762 310 320 GLU HB3 H 1.833 0.02 2 763 310 320 GLU HG2 H 2.150 0.02 2 764 310 320 GLU HG3 H 2.262 0.02 2 765 310 320 GLU CA C 57.469 0.2 1 766 310 320 GLU CB C 30.224 0.2 1 767 310 320 GLU CG C 36.226 0.2 1 768 310 320 GLU N N 121.728 0.1 1 769 311 321 GLU H H 8.013 0.02 1 770 311 321 GLU HA H 4.090 0.02 1 771 311 321 GLU HB2 H 1.775 0.02 2 772 311 321 GLU HB3 H 1.723 0.02 2 773 311 321 GLU HG2 H 2.026 0.02 2 774 311 321 GLU CA C 56.500 0.2 1 775 311 321 GLU CB C 30.703 0.2 1 776 311 321 GLU CG C 36.693 0.2 1 777 311 321 GLU N N 119.415 0.1 1 778 312 322 GLU H H 7.826 0.02 1 779 312 322 GLU HA H 4.275 0.02 1 780 312 322 GLU HB2 H 1.695 0.02 2 781 312 322 GLU HB3 H 1.822 0.02 2 782 312 322 GLU HG2 H 2.043 0.02 2 783 312 322 GLU HG3 H 2.099 0.02 2 784 312 322 GLU CA C 55.860 0.2 1 785 312 322 GLU CB C 32.426 0.2 1 786 312 322 GLU CG C 36.613 0.2 1 787 312 322 GLU N N 120.507 0.1 1 788 313 323 ASN H H 8.499 0.02 1 789 313 323 ASN HA H 4.169 0.02 1 790 313 323 ASN HB2 H 3.139 0.02 2 791 313 323 ASN HB3 H 2.082 0.02 2 792 313 323 ASN HD21 H 6.789 0.02 2 793 313 323 ASN HD22 H 6.590 0.02 2 794 313 323 ASN CA C 54.400 0.2 1 795 313 323 ASN CB C 38.550 0.2 1 796 313 323 ASN N N 114.822 0.1 1 797 313 323 ASN ND2 N 113.650 0.1 1 798 314 324 LEU H H 8.430 0.02 1 799 314 324 LEU HA H 5.130 0.02 1 800 314 324 LEU HB2 H 1.740 0.02 2 801 314 324 LEU HB3 H 1.494 0.02 2 802 314 324 LEU HG H 1.463 0.02 1 803 314 324 LEU HD1 H 0.806 0.02 1 804 314 324 LEU HD2 H 0.672 0.02 1 805 314 324 LEU CA C 55.556 0.2 1 806 314 324 LEU CB C 44.935 0.2 1 807 314 324 LEU CG C 28.097 0.2 1 808 314 324 LEU CD1 C 25.771 0.2 2 809 314 324 LEU CD2 C 25.511 0.2 2 810 314 324 LEU N N 121.406 0.1 1 811 315 325 PHE H H 9.470 0.02 1 812 315 325 PHE HA H 5.094 0.02 1 813 315 325 PHE HB2 H 2.983 0.02 2 814 315 325 PHE HB3 H 2.880 0.02 2 815 315 325 PHE HD1 H 6.836 0.02 3 816 315 325 PHE HE1 H 6.648 0.02 3 817 315 325 PHE HZ H 6.402 0.02 1 818 315 325 PHE CA C 57.238 0.2 1 819 315 325 PHE CB C 42.099 0.2 1 820 315 325 PHE CD1 C 132.939 0.2 3 821 315 325 PHE CE1 C 129.975 0.2 3 822 315 325 PHE CZ C 129.595 0.2 1 823 315 325 PHE N N 119.447 0.1 1 824 316 326 GLU H H 8.957 0.02 1 825 316 326 GLU HA H 5.229 0.02 1 826 316 326 GLU HB2 H 1.776 0.02 2 827 316 326 GLU HB3 H 1.483 0.02 2 828 316 326 GLU HG2 H 1.629 0.02 2 829 316 326 GLU HG3 H 1.370 0.02 2 830 316 326 GLU CA C 53.713 0.2 1 831 316 326 GLU CB C 35.000 0.2 1 832 316 326 GLU CG C 35.954 0.2 1 833 316 326 GLU N N 121.888 0.1 1 834 317 327 ILE H H 8.605 0.02 1 835 317 327 ILE HA H 4.717 0.02 1 836 317 327 ILE HB H 1.492 0.02 1 837 317 327 ILE HG12 H 0.810 0.02 9 838 317 327 ILE HG13 H 1.510 0.02 9 839 317 327 ILE HG2 H 0.638 0.02 1 840 317 327 ILE HD1 H 0.530 0.02 1 841 317 327 ILE CA C 60.269 0.2 1 842 317 327 ILE CB C 42.289 0.2 1 843 317 327 ILE CG1 C 27.658 0.2 1 844 317 327 ILE CG2 C 17.125 0.2 1 845 317 327 ILE CD1 C 15.545 0.2 1 846 317 327 ILE N N 123.559 0.1 1 847 318 328 ILE H H 9.136 0.02 1 848 318 328 ILE HA H 4.657 0.02 1 849 318 328 ILE HB H 1.445 0.02 1 850 318 328 ILE HG12 H 1.023 0.02 9 851 318 328 ILE HG13 H -0.027 0.02 9 852 318 328 ILE HG2 H 0.289 0.02 1 853 318 328 ILE HD1 H 0.550 0.02 1 854 318 328 ILE CA C 60.801 0.2 1 855 318 328 ILE CB C 39.260 0.2 1 856 318 328 ILE CG1 C 28.373 0.2 1 857 318 328 ILE CG2 C 18.284 0.2 1 858 318 328 ILE CD1 C 15.198 0.2 1 859 318 328 ILE N N 126.802 0.1 1 860 319 329 THR H H 9.020 0.02 1 861 319 329 THR HA H 4.248 0.02 1 862 319 329 THR HB H 4.728 0.02 1 863 319 329 THR HG1 H 6.203 0.02 1 864 319 329 THR HG2 H 1.347 0.02 1 865 319 329 THR CA C 62.143 0.2 1 866 319 329 THR CB C 71.218 0.2 1 867 319 329 THR CG2 C 23.865 0.2 1 868 319 329 THR N N 117.135 0.1 1 869 320 330 ALA H H 9.119 0.02 1 870 320 330 ALA HA H 4.025 0.02 1 871 320 330 ALA HB H 1.388 0.02 1 872 320 330 ALA CA C 55.287 0.2 1 873 320 330 ALA CB C 18.450 0.2 1 874 320 330 ALA N N 123.591 0.1 1 875 321 331 ASP H H 7.893 0.02 1 876 321 331 ASP HA H 4.652 0.02 1 877 321 331 ASP HB2 H 2.660 0.02 2 878 321 331 ASP CA C 53.462 0.2 1 879 321 331 ASP CB C 39.851 0.2 1 880 321 331 ASP N N 113.184 0.1 1 881 322 332 GLU H H 8.080 0.02 1 882 322 332 GLU HA H 3.355 0.02 1 883 322 332 GLU HB2 H 2.276 0.02 2 884 322 332 GLU HB3 H 2.098 0.02 2 885 322 332 GLU HG2 H 2.085 0.02 2 886 322 332 GLU HG3 H 1.995 0.02 2 887 322 332 GLU CA C 57.987 0.2 1 888 322 332 GLU CB C 26.684 0.2 1 889 322 332 GLU CG C 37.574 0.2 1 890 322 332 GLU N N 113.955 0.1 1 891 323 333 VAL H H 7.525 0.02 1 892 323 333 VAL HA H 3.990 0.02 1 893 323 333 VAL HB H 1.983 0.02 1 894 323 333 VAL HG1 H 0.541 0.02 1 895 323 333 VAL HG2 H 0.730 0.02 1 896 323 333 VAL CA C 63.129 0.2 1 897 323 333 VAL CB C 31.852 0.2 1 898 323 333 VAL CG1 C 21.797 0.2 2 899 323 333 VAL CG2 C 22.208 0.2 2 900 323 333 VAL N N 120.957 0.1 1 901 324 334 HIS H H 8.561 0.02 1 902 324 334 HIS HA H 5.187 0.02 1 903 324 334 HIS HB2 H 2.930 0.02 2 904 324 334 HIS HB3 H 2.583 0.02 2 905 324 334 HIS HD2 H 7.190 0.02 1 906 324 334 HIS HE1 H 8.382 0.02 1 907 324 334 HIS CA C 54.744 0.2 1 908 324 334 HIS CB C 30.972 0.2 1 909 324 334 HIS CD2 C 119.912 0.2 1 910 324 334 HIS CE1 C 135.467 0.2 1 911 324 334 HIS N N 124.072 0.1 1 912 325 335 TYR H H 9.216 0.02 1 913 325 335 TYR HA H 4.475 0.02 1 914 325 335 TYR HB2 H 2.377 0.02 2 915 325 335 TYR HB3 H 2.485 0.02 2 916 325 335 TYR HD1 H 6.756 0.02 3 917 325 335 TYR HE1 H 6.692 0.02 3 918 325 335 TYR CA C 57.365 0.2 1 919 325 335 TYR CB C 41.620 0.2 1 920 325 335 TYR CD1 C 132.658 0.2 3 921 325 335 TYR CE1 C 118.762 0.2 3 922 325 335 TYR N N 121.567 0.1 1 923 326 336 PHE H H 8.873 0.02 1 924 326 336 PHE HA H 4.910 0.02 1 925 326 336 PHE HB2 H 2.816 0.02 2 926 326 336 PHE HB3 H 2.611 0.02 2 927 326 336 PHE HD1 H 7.011 0.02 3 928 326 336 PHE HE1 H 7.122 0.02 3 929 326 336 PHE HZ H 7.082 0.02 1 930 326 336 PHE CA C 57.986 0.2 1 931 326 336 PHE CB C 41.810 0.2 1 932 326 336 PHE CD1 C 131.439 0.2 3 933 326 336 PHE CE1 C 131.200 0.2 3 934 326 336 PHE CZ C 130.600 0.2 1 935 326 336 PHE N N 121.856 0.1 1 936 327 337 LEU H H 8.468 0.02 1 937 327 337 LEU HA H 5.287 0.02 1 938 327 337 LEU HB2 H 0.327 0.02 2 939 327 337 LEU HB3 H -0.293 0.02 2 940 327 337 LEU HG H 0.853 0.02 1 941 327 337 LEU HD1 H -0.078 0.02 1 942 327 337 LEU HD2 H 0.246 0.02 1 943 327 337 LEU CA C 53.179 0.2 1 944 327 337 LEU CB C 44.822 0.2 1 945 327 337 LEU CG C 27.716 0.2 1 946 327 337 LEU CD1 C 25.436 0.2 2 947 327 337 LEU CD2 C 25.351 0.2 2 948 327 337 LEU N N 123.334 0.1 1 949 328 338 GLN H H 8.695 0.02 1 950 328 338 GLN HA H 4.844 0.02 1 951 328 338 GLN HB2 H 1.637 0.02 2 952 328 338 GLN HB3 H 1.165 0.02 2 953 328 338 GLN HG2 H 2.066 0.02 2 954 328 338 GLN HG3 H 1.838 0.02 2 955 328 338 GLN HE21 H 6.105 0.02 2 956 328 338 GLN HE22 H 4.961 0.02 2 957 328 338 GLN CA C 55.356 0.2 1 958 328 338 GLN CB C 32.424 0.2 1 959 328 338 GLN CG C 34.200 0.2 1 960 328 338 GLN N N 117.745 0.1 1 961 328 338 GLN NE2 N 107.700 0.1 1 962 329 339 ALA H H 8.197 0.02 1 963 329 339 ALA HA H 4.800 0.02 1 964 329 339 ALA HB H 1.583 0.02 1 965 329 339 ALA CA C 50.385 0.2 1 966 329 339 ALA CB C 21.954 0.2 1 967 329 339 ALA N N 128.055 0.1 1 968 330 340 ALA H H 9.180 0.02 1 969 330 340 ALA HA H 4.179 0.02 1 970 330 340 ALA HB H 1.497 0.02 1 971 330 340 ALA CA C 54.635 0.2 1 972 330 340 ALA CB C 20.529 0.2 1 973 330 340 ALA N N 120.411 0.1 1 974 331 341 THR H H 7.088 0.02 1 975 331 341 THR HA H 4.797 0.02 1 976 331 341 THR HB H 4.571 0.02 1 977 331 341 THR HG2 H 1.173 0.02 1 978 331 341 THR CA C 58.197 0.2 1 979 331 341 THR CB C 71.900 0.2 1 980 331 341 THR CG2 C 22.444 0.2 1 981 331 341 THR N N 103.131 0.1 1 982 332 342 PRO HA H 4.150 0.02 1 983 332 342 PRO HB2 H 2.390 0.02 2 984 332 342 PRO HB3 H 1.955 0.02 2 985 332 342 PRO HG2 H 2.119 0.02 2 986 332 342 PRO HD2 H 3.951 0.02 2 987 332 342 PRO HD3 H 3.820 0.02 2 988 332 342 PRO CA C 65.500 0.2 1 989 332 342 PRO CB C 31.900 0.2 1 990 332 342 PRO CG C 27.800 0.2 1 991 332 342 PRO CD C 51.100 0.2 1 992 333 343 LYS H H 7.690 0.02 1 993 333 343 LYS HA H 3.970 0.02 1 994 333 343 LYS HB2 H 1.810 0.02 2 995 333 343 LYS HB3 H 1.630 0.02 2 996 333 343 LYS HG2 H 1.332 0.02 2 997 333 343 LYS HD2 H 1.544 0.02 2 998 333 343 LYS HE2 H 2.891 0.02 2 999 333 343 LYS CA C 59.600 0.2 1 1000 333 343 LYS CB C 33.100 0.2 1 1001 333 343 LYS CG C 25.050 0.2 1 1002 333 343 LYS CD C 29.550 0.2 1 1003 333 343 LYS CE C 42.300 0.2 1 1004 333 343 LYS N N 119.200 0.1 1 1005 334 344 GLU H H 7.941 0.02 1 1006 334 344 GLU HA H 4.095 0.02 1 1007 334 344 GLU HB2 H 2.249 0.02 2 1008 334 344 GLU HB3 H 2.144 0.02 2 1009 334 344 GLU HG2 H 2.483 0.02 2 1010 334 344 GLU HG3 H 2.359 0.02 2 1011 334 344 GLU CA C 59.625 0.2 1 1012 334 344 GLU CB C 31.441 0.2 1 1013 334 344 GLU CG C 39.000 0.2 1 1014 334 344 GLU N N 119.287 0.1 1 1015 335 345 ARG H H 7.740 0.02 1 1016 335 345 ARG HA H 3.540 0.02 1 1017 335 345 ARG HB2 H 2.232 0.02 2 1018 335 345 ARG HB3 H 1.487 0.02 2 1019 335 345 ARG HG2 H 1.300 0.02 2 1020 335 345 ARG HG3 H 1.148 0.02 2 1021 335 345 ARG HD2 H 3.250 0.02 2 1022 335 345 ARG HD3 H 2.682 0.02 2 1023 335 345 ARG CA C 60.958 0.2 1 1024 335 345 ARG CB C 29.907 0.2 1 1025 335 345 ARG CG C 26.474 0.2 1 1026 335 345 ARG CD C 44.940 0.2 1 1027 335 345 ARG N N 118.869 0.1 1 1028 336 346 THR H H 8.142 0.02 1 1029 336 346 THR HA H 3.575 0.02 1 1030 336 346 THR HB H 4.209 0.02 1 1031 336 346 THR HG2 H 1.137 0.02 1 1032 336 346 THR CA C 67.392 0.2 1 1033 336 346 THR CB C 69.026 0.2 1 1034 336 346 THR CG2 C 22.467 0.2 1 1035 336 346 THR N N 115.979 0.1 1 1036 337 347 GLU H H 8.210 0.02 1 1037 337 347 GLU HA H 3.734 0.02 1 1038 337 347 GLU HB2 H 2.081 0.02 2 1039 337 347 GLU HB3 H 1.505 0.02 2 1040 337 347 GLU HG2 H 2.419 0.02 2 1041 337 347 GLU HG3 H 2.076 0.02 2 1042 337 347 GLU CA C 59.811 0.2 1 1043 337 347 GLU CB C 29.905 0.2 1 1044 337 347 GLU CG C 37.076 0.2 1 1045 337 347 GLU N N 119.608 0.1 1 1046 338 348 TRP H H 8.252 0.02 1 1047 338 348 TRP HA H 3.840 0.02 1 1048 338 348 TRP HB2 H 2.730 0.02 2 1049 338 348 TRP HB3 H 2.840 0.02 2 1050 338 348 TRP HD1 H 7.240 0.02 1 1051 338 348 TRP HE1 H 10.885 0.02 1 1052 338 348 TRP HE3 H 7.330 0.02 1 1053 338 348 TRP HZ2 H 6.988 0.02 1 1054 338 348 TRP HZ3 H 6.809 0.02 1 1055 338 348 TRP HH2 H 6.870 0.02 1 1056 338 348 TRP CA C 62.700 0.2 1 1057 338 348 TRP CB C 30.025 0.2 1 1058 338 348 TRP CD1 C 127.036 0.2 1 1059 338 348 TRP CE3 C 118.974 0.2 1 1060 338 348 TRP CZ2 C 114.219 0.2 1 1061 338 348 TRP CZ3 C 121.140 0.2 1 1062 338 348 TRP CH2 C 123.873 0.2 1 1063 338 348 TRP N N 120.859 0.1 1 1064 338 348 TRP NE1 N 130.094 0.1 1 1065 339 349 ILE H H 8.205 0.02 1 1066 339 349 ILE HA H 3.188 0.02 1 1067 339 349 ILE HB H 1.577 0.02 1 1068 339 349 ILE HG12 H 1.127 0.02 9 1069 339 349 ILE HG13 H 0.323 0.02 9 1070 339 349 ILE HG2 H 0.629 0.02 1 1071 339 349 ILE HD1 H 0.536 0.02 1 1072 339 349 ILE CA C 67.426 0.2 1 1073 339 349 ILE CB C 38.232 0.2 1 1074 339 349 ILE CG1 C 29.307 0.2 1 1075 339 349 ILE CG2 C 16.387 0.2 1 1076 339 349 ILE CD1 C 14.914 0.2 1 1077 339 349 ILE N N 118.869 0.1 1 1078 340 350 LYS H H 7.986 0.02 1 1079 340 350 LYS HA H 3.925 0.02 1 1080 340 350 LYS HB2 H 1.685 0.02 2 1081 340 350 LYS HG2 H 1.465 0.02 2 1082 340 350 LYS HG3 H 1.335 0.02 2 1083 340 350 LYS HD2 H 1.544 0.02 2 1084 340 350 LYS HE2 H 2.829 0.02 2 1085 340 350 LYS CA C 59.724 0.2 1 1086 340 350 LYS CB C 32.651 0.2 1 1087 340 350 LYS CG C 25.527 0.2 1 1088 340 350 LYS CD C 29.300 0.2 1 1089 340 350 LYS CE C 42.330 0.2 1 1090 340 350 LYS N N 117.167 0.1 1 1091 341 351 ALA H H 7.617 0.02 1 1092 341 351 ALA HA H 3.988 0.02 1 1093 341 351 ALA HB H 1.090 0.02 1 1094 341 351 ALA CA C 55.514 0.2 1 1095 341 351 ALA CB C 18.656 0.2 1 1096 341 351 ALA N N 120.668 0.1 1 1097 342 352 ILE H H 8.546 0.02 1 1098 342 352 ILE HA H 3.464 0.02 1 1099 342 352 ILE HB H 1.857 0.02 1 1100 342 352 ILE HG12 H 0.925 0.02 9 1101 342 352 ILE HG13 H 2.245 0.02 9 1102 342 352 ILE HG2 H 0.761 0.02 1 1103 342 352 ILE HD1 H 0.923 0.02 1 1104 342 352 ILE CA C 66.278 0.2 1 1105 342 352 ILE CB C 38.756 0.2 1 1106 342 352 ILE CG1 C 31.216 0.2 1 1107 342 352 ILE CG2 C 19.119 0.2 1 1108 342 352 ILE CD1 C 15.128 0.2 1 1109 342 352 ILE N N 118.965 0.1 1 1110 343 353 GLN H H 8.685 0.02 1 1111 343 353 GLN HA H 3.786 0.02 1 1112 343 353 GLN HB2 H 2.222 0.02 2 1113 343 353 GLN HB3 H 1.836 0.02 2 1114 343 353 GLN HG2 H 2.529 0.02 2 1115 343 353 GLN HG3 H 2.226 0.02 2 1116 343 353 GLN HE21 H 7.265 0.02 2 1117 343 353 GLN HE22 H 6.651 0.02 2 1118 343 353 GLN CA C 59.883 0.2 1 1119 343 353 GLN CB C 28.424 0.2 1 1120 343 353 GLN CG C 35.019 0.2 1 1121 343 353 GLN N N 119.769 0.1 1 1122 343 353 GLN NE2 N 111.253 0.1 1 1123 344 354 MET H H 8.201 0.02 1 1124 344 354 MET HA H 4.080 0.02 1 1125 344 354 MET HB2 H 2.618 0.02 2 1126 344 354 MET HB3 H 2.486 0.02 2 1127 344 354 MET HG2 H 2.137 0.02 2 1128 344 354 MET HE H 2.131 0.02 1 1129 344 354 MET CA C 59.074 0.2 1 1130 344 354 MET CB C 32.347 0.2 1 1131 344 354 MET CG C 32.400 0.2 1 1132 344 354 MET CE C 17.240 0.2 1 1133 344 354 MET N N 118.869 0.1 1 1134 345 355 ALA H H 8.205 0.02 1 1135 345 355 ALA HA H 4.171 0.02 1 1136 345 355 ALA HB H 1.427 0.02 1 1137 345 355 ALA CA C 55.133 0.2 1 1138 345 355 ALA CB C 18.902 0.2 1 1139 345 355 ALA N N 121.952 0.1 1 1140 346 356 SER H H 8.087 0.02 1 1141 346 356 SER HA H 3.957 0.02 1 1142 346 356 SER HB2 H 3.810 0.02 2 1143 346 356 SER HB3 H 4.085 0.02 2 1144 346 356 SER CA C 60.560 0.2 1 1145 346 356 SER CB C 64.529 0.2 1 1146 346 356 SER N N 110.326 0.1 1 1147 347 357 ARG H H 7.284 0.02 1 1148 347 357 ARG HA H 4.320 0.02 1 1149 347 357 ARG HB2 H 1.957 0.02 2 1150 347 357 ARG HB3 H 1.880 0.02 2 1151 347 357 ARG HG2 H 1.700 0.02 2 1152 347 357 ARG HD2 H 3.160 0.02 2 1153 347 357 ARG HD3 H 3.121 0.02 2 1154 347 357 ARG CA C 57.000 0.2 1 1155 347 357 ARG CB C 30.829 0.2 1 1156 347 357 ARG CG C 27.472 0.2 1 1157 347 357 ARG CD C 44.200 0.2 1 1158 347 357 ARG N N 120.090 0.1 1 1159 348 358 THR H H 7.950 0.02 1 1160 348 358 THR HA H 4.290 0.02 1 1161 348 358 THR HB H 4.215 0.02 1 1162 348 358 THR HG2 H 1.229 0.02 1 1163 348 358 THR CA C 62.987 0.2 1 1164 348 358 THR CB C 70.465 0.2 1 1165 348 358 THR CG2 C 22.182 0.2 1 1166 348 358 THR N N 113.441 0.1 1 1167 349 359 GLY H H 8.408 0.02 1 1168 349 359 GLY HA2 H 3.995 0.02 2 1169 349 359 GLY HA3 H 3.904 0.02 2 1170 349 359 GLY CA C 45.757 0.2 1 1171 350 360 LYS H H 7.887 0.02 1 1172 350 360 LYS HA H 4.119 0.02 1 1173 350 360 LYS HB2 H 1.789 0.02 2 1174 350 360 LYS HB3 H 1.649 0.02 2 1175 350 360 LYS HG2 H 1.339 0.02 2 1176 350 360 LYS HD2 H 1.612 0.02 2 1177 350 360 LYS HE2 H 2.897 0.02 2 1178 350 360 LYS CA C 57.900 0.2 1 1179 350 360 LYS CB C 34.048 0.2 1 1180 350 360 LYS CG C 25.396 0.2 1 1181 350 360 LYS CD C 29.552 0.2 1 1182 350 360 LYS CE C 42.540 0.2 1 1183 350 360 LYS N N 125.839 0.1 1 stop_ save_