data_17467 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the second B3 domain of VERNALIZATION1 from Arabidopsis thaliana ; _BMRB_accession_number 17467 _BMRB_flat_file_name bmr17467.str _Entry_type original _Submission_date 2011-02-13 _Accession_date 2011-02-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mylne Joshua S. . 2 Mas Caroline . . 3 Hill Justine M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 600 "13C chemical shifts" 514 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-21 update BMRB 'update entry citation' 2011-03-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment and secondary structure of the C-terminal DNA binding domain of Arabidopsis thaliana VERNALIZATION1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21553305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mylne Joshua S. . 2 Mas Caroline . . 3 Hill Justine M. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5 _Page_last 8 _Year 2012 _Details . loop_ _Keyword Arabidopsis 'B3 DNA binding domain' Epigenetic 'Transcription factor' Vernalization stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VRN1_B3b _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VRN1_B3b $VRN1_B3b stop_ _System_molecular_weight 15590 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VRN1_B3b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VRN1_B3b _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; RSKFYESASARKRTVTAEER ERAINAAKTFEPTNPFFRVV LRPSYLYRGCIMYLPSGFAE KYLSGISGFIKVQLAEKQWP VRCLYKAGRAKFSQGWYEFT LENNLGEGDVCVFELLRTRD FVLKVTAFRVNEYV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 208 ARG 2 209 SER 3 210 LYS 4 211 PHE 5 212 TYR 6 213 GLU 7 214 SER 8 215 ALA 9 216 SER 10 217 ALA 11 218 ARG 12 219 LYS 13 220 ARG 14 221 THR 15 222 VAL 16 223 THR 17 224 ALA 18 225 GLU 19 226 GLU 20 227 ARG 21 228 GLU 22 229 ARG 23 230 ALA 24 231 ILE 25 232 ASN 26 233 ALA 27 234 ALA 28 235 LYS 29 236 THR 30 237 PHE 31 238 GLU 32 239 PRO 33 240 THR 34 241 ASN 35 242 PRO 36 243 PHE 37 244 PHE 38 245 ARG 39 246 VAL 40 247 VAL 41 248 LEU 42 249 ARG 43 250 PRO 44 251 SER 45 252 TYR 46 253 LEU 47 254 TYR 48 255 ARG 49 256 GLY 50 257 CYS 51 258 ILE 52 259 MET 53 260 TYR 54 261 LEU 55 262 PRO 56 263 SER 57 264 GLY 58 265 PHE 59 266 ALA 60 267 GLU 61 268 LYS 62 269 TYR 63 270 LEU 64 271 SER 65 272 GLY 66 273 ILE 67 274 SER 68 275 GLY 69 276 PHE 70 277 ILE 71 278 LYS 72 279 VAL 73 280 GLN 74 281 LEU 75 282 ALA 76 283 GLU 77 284 LYS 78 285 GLN 79 286 TRP 80 287 PRO 81 288 VAL 82 289 ARG 83 290 CYS 84 291 LEU 85 292 TYR 86 293 LYS 87 294 ALA 88 295 GLY 89 296 ARG 90 297 ALA 91 298 LYS 92 299 PHE 93 300 SER 94 301 GLN 95 302 GLY 96 303 TRP 97 304 TYR 98 305 GLU 99 306 PHE 100 307 THR 101 308 LEU 102 309 GLU 103 310 ASN 104 311 ASN 105 312 LEU 106 313 GLY 107 314 GLU 108 315 GLY 109 316 ASP 110 317 VAL 111 318 CYS 112 319 VAL 113 320 PHE 114 321 GLU 115 322 LEU 116 323 LEU 117 324 ARG 118 325 THR 119 326 ARG 120 327 ASP 121 328 PHE 122 329 VAL 123 330 LEU 124 331 LYS 125 332 VAL 126 333 THR 127 334 ALA 128 335 PHE 129 336 ARG 130 337 VAL 131 338 ASN 132 339 GLU 133 340 TYR 134 341 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 4I1K "Crystal Structure Of Vrn1 (residues 208-341)" 100.00 146 100.00 100.00 1.42e-92 DBJ BAB01695 "unnamed protein product [Arabidopsis thaliana]" 100.00 230 100.00 100.00 5.49e-92 DBJ BAF02186 "hypothetical protein [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 DBJ BAH30458 "hypothetical protein [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 DBJ BAJ34355 "unnamed protein product [Thellungiella halophila]" 100.00 341 100.00 100.00 3.88e-90 EMBL CDX92293 "BnaA05g21140D [Brassica napus]" 97.76 346 98.47 99.24 2.31e-87 EMBL CDX95476 "BnaC01g33680D [Brassica napus]" 100.00 343 98.51 98.51 4.30e-89 EMBL CDX99291 "BnaC05g34060D [Brassica napus]" 97.76 346 98.47 99.24 3.00e-87 EMBL CDY18562 "BnaA01g26330D [Brassica napus]" 100.00 342 99.25 99.25 9.23e-90 EMBL CDY22996 "BnaC03g40730D [Brassica napus]" 100.00 327 97.01 97.76 5.57e-88 GB AAM76972 "reduced vernalization response 1 [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 GB AAM76973 "reduced vernalization response 1 [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 GB ABD59069 "At3g18990 [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 GB AEE76178 "B3 domain-containing transcription factor VRN1 [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 GB AKX67933 "B3 domain-containing transcription factor VRN1, partial [Arabidopsis lyrata subsp. petraea]" 96.27 336 100.00 100.00 2.87e-86 REF NP_188529 "B3 domain-containing transcription factor VRN1 [Arabidopsis thaliana]" 100.00 341 100.00 100.00 4.24e-90 REF XP_002885287 "hypothetical protein ARALYDRAFT_479415 [Arabidopsis lyrata subsp. lyrata]" 100.00 341 100.00 100.00 3.88e-90 REF XP_006299472 "hypothetical protein CARUB_v10015637mg [Capsella rubella]" 100.00 341 99.25 100.00 1.89e-89 REF XP_006406545 "hypothetical protein EUTSA_v10021075mg [Eutrema salsugineum]" 100.00 341 100.00 100.00 3.88e-90 REF XP_009112206 "PREDICTED: B3 domain-containing transcription factor VRN1 [Brassica rapa]" 100.00 342 98.51 99.25 3.29e-89 SP Q8L3W1 "RecName: Full=B3 domain-containing transcription factor VRN1; AltName: Full=Protein VERNALIZATION 1" 100.00 341 100.00 100.00 4.24e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VRN1_B3b thale-cress 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $VRN1_B3b 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pQE-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_1_15N_VRN1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VRN1_B3b 0.8 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_2_15N_13C_VRN1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VRN1_B3b 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_3_15N_13C_VRN1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VRN1_B3b 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 1 mM '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_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $1_15N_VRN1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $2_15N_13C_VRN1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $2_15N_13C_VRN1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $2_15N_13C_VRN1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2_15N_13C_VRN1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $2_15N_13C_VRN1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $2_15N_13C_VRN1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $3_15N_13C_VRN1 save_ save_2D_(HB)CB(CGCD)HG_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HG' _Sample_label $3_15N_13C_VRN1 save_ save_2D_(HB)CB(CGCDCE)HE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $3_15N_13C_VRN1 save_ save_3D_1H-13C_HMQC-NOESY-HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HMQC-NOESY-HMQC' _Sample_label $3_15N_13C_VRN1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $2_15N_13C_VRN1 save_ save_3D_H(CC))NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC))NH' _Sample_label $2_15N_13C_VRN1 save_ ####################### # Sample conditions # ####################### save_1_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D HNHA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D (HB)CB(CGCD)HG' '2D (HB)CB(CGCDCE)HE' '3D 1H-13C HMQC-NOESY-HMQC' '3D C(CO)NH' '3D H(CC))NH' stop_ loop_ _Sample_label $1_15N_VRN1 $2_15N_13C_VRN1 $3_15N_13C_VRN1 stop_ _Sample_conditions_label $1_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name VRN1_B3b _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 1 210 3 LYS HA H 4.1457 0.0200 1 2 210 3 LYS HB2 H 1.5532 0.0200 2 3 210 3 LYS HG2 H 1.1873 0.0200 2 4 210 3 LYS HD2 H 1.5592 0.0200 2 5 210 3 LYS HE2 H 2.8642 0.0200 2 6 210 3 LYS C C 176.3830 0.1000 1 7 210 3 LYS CA C 56.6517 0.1000 1 8 210 3 LYS CB C 32.7342 0.1000 1 9 210 3 LYS CG C 24.6017 0.1000 1 10 210 3 LYS CD C 29.0124 0.1000 1 11 210 3 LYS CE C 41.8027 0.1000 1 12 211 4 PHE H H 8.0504 0.0200 1 13 211 4 PHE HA H 4.4267 0.0200 1 14 211 4 PHE HB2 H 2.8956 0.0200 2 15 211 4 PHE HD1 H 7.0924 0.0200 3 16 211 4 PHE HD2 H 7.0924 0.0200 3 17 211 4 PHE HE1 H 7.0321 0.0200 3 18 211 4 PHE HE2 H 7.0321 0.0200 3 19 211 4 PHE C C 175.4770 0.1000 1 20 211 4 PHE CA C 57.9393 0.1000 1 21 211 4 PHE CB C 39.3794 0.1000 1 22 211 4 PHE CD1 C 129.9093 0.1000 3 23 211 4 PHE CD2 C 129.9093 0.1000 3 24 211 4 PHE CE1 C 131.7844 0.1000 3 25 211 4 PHE CE2 C 131.7844 0.1000 3 26 211 4 PHE N N 120.2787 0.1000 1 27 212 5 TYR H H 7.8706 0.0200 1 28 212 5 TYR HA H 4.4183 0.0200 1 29 212 5 TYR HB2 H 2.8566 0.0200 2 30 212 5 TYR HD1 H 7.1115 0.0200 3 31 212 5 TYR HD2 H 7.1115 0.0200 3 32 212 5 TYR HE1 H 6.6629 0.0200 3 33 212 5 TYR HE2 H 6.6629 0.0200 3 34 212 5 TYR C C 175.6093 0.1000 1 35 212 5 TYR CA C 57.8019 0.1000 1 36 212 5 TYR CB C 38.7597 0.1000 1 37 212 5 TYR N N 120.8039 0.1000 1 38 213 6 GLU H H 8.1573 0.0200 1 39 213 6 GLU HA H 4.1627 0.0200 1 40 213 6 GLU HB2 H 1.9567 0.0200 2 41 213 6 GLU C C 176.3271 0.1000 1 42 213 6 GLU CA C 56.6387 0.1000 1 43 213 6 GLU CB C 30.4255 0.1000 1 44 213 6 GLU CG C 36.3411 0.1000 1 45 213 6 GLU N N 122.4693 0.1000 1 46 214 7 SER H H 8.1901 0.0200 1 47 214 7 SER HA H 4.3495 0.0200 1 48 214 7 SER HB2 H 3.8096 0.0200 2 49 214 7 SER C C 174.8185 0.1000 1 50 214 7 SER CA C 58.3139 0.1000 1 51 214 7 SER CB C 64.0782 0.1000 1 52 214 7 SER N N 116.5141 0.1000 1 53 215 8 ALA H H 8.4127 0.0200 1 54 215 8 ALA C C 178.1882 0.1000 1 55 215 8 ALA CA C 53.5156 0.1000 1 56 215 8 ALA CB C 19.0535 0.1000 1 57 215 8 ALA N N 126.1584 0.1000 1 58 216 9 SER HA H 4.3134 0.0200 1 59 216 9 SER HB2 H 3.8140 0.0200 2 60 216 9 SER C C 174.5730 0.1000 1 61 216 9 SER CA C 58.8044 0.1000 1 62 216 9 SER CB C 63.7642 0.1000 1 63 217 10 ALA H H 8.0542 0.0200 1 64 217 10 ALA HA H 4.2646 0.0200 1 65 217 10 ALA HB H 1.3529 0.0200 1 66 217 10 ALA C C 177.6827 0.1000 1 67 217 10 ALA CA C 52.6749 0.1000 1 68 217 10 ALA CB C 19.2669 0.1000 1 69 217 10 ALA N N 125.3361 0.1000 1 70 218 11 ARG H H 8.0965 0.0200 1 71 218 11 ARG HA H 4.2332 0.0200 1 72 218 11 ARG HB2 H 1.7160 0.0200 2 73 218 11 ARG HB3 H 1.7468 0.0200 2 74 218 11 ARG C C 176.2214 0.1000 1 75 218 11 ARG CA C 56.0386 0.1000 1 76 218 11 ARG CB C 30.4255 0.1000 1 77 218 11 ARG CG C 27.0825 0.1000 1 78 218 11 ARG CD C 43.3460 0.1000 1 79 218 11 ARG N N 119.6219 0.1000 1 80 219 12 LYS H H 8.2466 0.0200 1 81 219 12 LYS HA H 4.2814 0.0200 1 82 219 12 LYS HB2 H 1.7340 0.0200 2 83 219 12 LYS HG2 H 1.4132 0.0200 2 84 219 12 LYS HG3 H 1.3657 0.0200 2 85 219 12 LYS HD2 H 1.6405 0.0200 2 86 219 12 LYS HE2 H 2.9468 0.0200 2 87 219 12 LYS C C 176.2920 0.1000 1 88 219 12 LYS CA C 56.2283 0.1000 1 89 219 12 LYS CB C 33.0871 0.1000 1 90 219 12 LYS CG C 24.8527 0.1000 1 91 219 12 LYS CD C 29.0851 0.1000 1 92 219 12 LYS CE C 41.8256 0.1000 1 93 219 12 LYS N N 122.9568 0.1000 1 94 220 13 ARG H H 8.4656 0.0200 1 95 220 13 ARG HA H 4.3683 0.0200 1 96 220 13 ARG HB2 H 1.7409 0.0200 2 97 220 13 ARG HG2 H 1.5840 0.0200 2 98 220 13 ARG HD2 H 3.1308 0.0200 2 99 220 13 ARG C C 176.1941 0.1000 1 100 220 13 ARG CA C 56.0524 0.1000 1 101 220 13 ARG CB C 31.4804 0.1000 1 102 220 13 ARG CG C 26.9906 0.1000 1 103 220 13 ARG CD C 43.9561 0.1000 1 104 220 13 ARG N N 122.9874 0.1000 1 105 221 14 THR H H 8.4929 0.0200 1 106 221 14 THR HA H 4.3165 0.0200 1 107 221 14 THR HB H 4.0438 0.0200 1 108 221 14 THR HG2 H 1.1330 0.0200 1 109 221 14 THR C C 173.9265 0.1000 1 110 221 14 THR CA C 61.9068 0.1000 1 111 221 14 THR CB C 69.5645 0.1000 1 112 221 14 THR CG2 C 21.7099 0.1000 1 113 221 14 THR N N 119.0424 0.1000 1 114 222 15 VAL H H 8.3159 0.0200 1 115 222 15 VAL HA H 4.3998 0.0200 1 116 222 15 VAL HB H 1.9747 0.0200 1 117 222 15 VAL HG1 H 0.9006 0.0200 2 118 222 15 VAL HG2 H 0.9512 0.0200 2 119 222 15 VAL C C 176.6350 0.1000 1 120 222 15 VAL CA C 61.4761 0.1000 1 121 222 15 VAL CB C 33.3366 0.1000 1 122 222 15 VAL CG1 C 20.7457 0.1000 2 123 222 15 VAL CG2 C 22.1150 0.1000 2 124 222 15 VAL N N 124.5480 0.1000 1 125 223 16 THR H H 8.8199 0.0200 1 126 223 16 THR HA H 4.4683 0.0200 1 127 223 16 THR HB H 4.6707 0.0200 1 128 223 16 THR HG2 H 1.2629 0.0200 1 129 223 16 THR C C 175.3450 0.1000 1 130 223 16 THR CA C 61.0098 0.1000 1 131 223 16 THR CB C 71.3565 0.1000 1 132 223 16 THR CG2 C 21.9719 0.1000 1 133 223 16 THR N N 118.6483 0.1000 1 134 224 17 ALA H H 8.8747 0.0200 1 135 224 17 ALA HA H 3.9997 0.0200 1 136 224 17 ALA HB H 1.4421 0.0200 1 137 224 17 ALA C C 180.2884 0.1000 1 138 224 17 ALA CA C 55.7043 0.1000 1 139 224 17 ALA CB C 18.1781 0.1000 1 140 224 17 ALA N N 123.6632 0.1000 1 141 225 18 GLU H H 8.7280 0.0200 1 142 225 18 GLU HA H 4.0060 0.0200 1 143 225 18 GLU HB2 H 1.9122 0.0200 2 144 225 18 GLU HB3 H 2.0660 0.0200 2 145 225 18 GLU HG2 H 2.2893 0.0200 2 146 225 18 GLU C C 179.2670 0.1000 1 147 225 18 GLU CA C 60.0111 0.1000 1 148 225 18 GLU CB C 29.0809 0.1000 1 149 225 18 GLU CG C 36.8168 0.1000 1 150 225 18 GLU N N 117.8505 0.1000 1 151 226 19 GLU H H 7.8948 0.0200 1 152 226 19 GLU HA H 3.9523 0.0200 1 153 226 19 GLU C C 179.0700 0.1000 1 154 226 19 GLU CA C 59.4989 0.1000 1 155 226 19 GLU CB C 29.4075 0.1000 1 156 226 19 GLU CG C 37.2077 0.1000 1 157 226 19 GLU N N 120.9687 0.1000 1 158 227 20 ARG H H 8.0665 0.0200 1 159 227 20 ARG HA H 3.9518 0.0200 1 160 227 20 ARG HB2 H 1.9221 0.0200 2 161 227 20 ARG HB3 H 1.9104 0.0200 2 162 227 20 ARG HG2 H 1.4875 0.0200 2 163 227 20 ARG HD2 H 3.0556 0.0200 2 164 227 20 ARG C C 179.4193 0.1000 1 165 227 20 ARG CA C 60.0241 0.1000 1 166 227 20 ARG CB C 30.1420 0.1000 1 167 227 20 ARG CG C 29.1327 0.1000 1 168 227 20 ARG CD C 43.4563 0.1000 1 169 227 20 ARG N N 118.6645 0.1000 1 170 228 21 GLU H H 8.0369 0.0200 1 171 228 21 GLU HA H 3.9605 0.0200 1 172 228 21 GLU HB2 H 2.0340 0.0200 2 173 228 21 GLU HG2 H 2.3006 0.0200 2 174 228 21 GLU C C 178.1375 0.1000 1 175 228 21 GLU CA C 58.7011 0.1000 1 176 228 21 GLU CB C 29.5335 0.1000 1 177 228 21 GLU CG C 36.2213 0.1000 1 178 228 21 GLU N N 118.6190 0.1000 1 179 229 22 ARG H H 7.9543 0.0200 1 180 229 22 ARG HA H 3.9515 0.0200 1 181 229 22 ARG HB2 H 2.0015 0.0200 2 182 229 22 ARG HB3 H 1.8431 0.0200 2 183 229 22 ARG HG2 H 1.6480 0.0200 2 184 229 22 ARG HD2 H 3.2437 0.0200 2 185 229 22 ARG C C 179.4229 0.1000 1 186 229 22 ARG CA C 59.9809 0.1000 1 187 229 22 ARG CB C 30.0887 0.1000 1 188 229 22 ARG CG C 27.6880 0.1000 1 189 229 22 ARG CD C 43.7932 0.1000 1 190 229 22 ARG N N 119.4101 0.1000 1 191 230 23 ALA H H 7.4934 0.0200 1 192 230 23 ALA HA H 3.8248 0.0200 1 193 230 23 ALA HB H 1.3943 0.0200 1 194 230 23 ALA C C 178.7581 0.1000 1 195 230 23 ALA CA C 55.4562 0.1000 1 196 230 23 ALA CB C 18.3583 0.1000 1 197 230 23 ALA N N 121.9152 0.1000 1 198 231 24 ILE H H 7.4305 0.0200 1 199 231 24 ILE HA H 3.5551 0.0200 1 200 231 24 ILE HB H 1.8296 0.0200 1 201 231 24 ILE HG12 H 1.7016 0.0200 2 202 231 24 ILE HG13 H 0.9898 0.0200 2 203 231 24 ILE HG2 H 1.0019 0.0200 1 204 231 24 ILE HD1 H 0.8641 0.0200 1 205 231 24 ILE C C 178.0281 0.1000 1 206 231 24 ILE CA C 65.2335 0.1000 1 207 231 24 ILE CB C 38.1092 0.1000 1 208 231 24 ILE CG1 C 30.3236 0.1000 1 209 231 24 ILE CG2 C 17.5727 0.1000 1 210 231 24 ILE CD1 C 14.0413 0.1000 1 211 231 24 ILE N N 117.5500 0.1000 1 212 232 25 ASN H H 8.5289 0.0200 1 213 232 25 ASN HA H 4.2753 0.0200 1 214 232 25 ASN HB2 H 2.7042 0.0200 2 215 232 25 ASN HB3 H 2.6305 0.0200 2 216 232 25 ASN HD21 H 7.0206 0.0200 2 217 232 25 ASN HD22 H 7.5832 0.0200 2 218 232 25 ASN C C 178.2594 0.1000 1 219 232 25 ASN CA C 55.9341 0.1000 1 220 232 25 ASN CB C 37.6354 0.1000 1 221 232 25 ASN N N 118.5201 0.1000 1 222 232 25 ASN ND2 N 112.3651 0.1000 1 223 233 26 ALA H H 7.9568 0.0200 1 224 233 26 ALA HA H 3.9639 0.0200 1 225 233 26 ALA HB H 1.3582 0.0200 1 226 233 26 ALA C C 179.7399 0.1000 1 227 233 26 ALA CA C 54.8717 0.1000 1 228 233 26 ALA CB C 18.2108 0.1000 1 229 233 26 ALA N N 123.6507 0.1000 1 230 234 27 ALA H H 7.7102 0.0200 1 231 234 27 ALA HA H 2.3059 0.0200 1 232 234 27 ALA HB H 0.9685 0.0200 1 233 234 27 ALA C C 180.2542 0.1000 1 234 234 27 ALA CA C 53.7011 0.1000 1 235 234 27 ALA CB C 19.4694 0.1000 1 236 234 27 ALA N N 121.3735 0.1000 1 237 235 28 LYS H H 7.8957 0.0200 1 238 235 28 LYS HA H 3.8064 0.0200 1 239 235 28 LYS HB2 H 1.8452 0.0200 2 240 235 28 LYS HG2 H 1.6092 0.0200 2 241 235 28 LYS HG3 H 1.2953 0.0200 2 242 235 28 LYS HD2 H 1.6145 0.0200 2 243 235 28 LYS HE2 H 2.8492 0.0200 2 244 235 28 LYS HE3 H 2.8653 0.0200 2 245 235 28 LYS C C 177.2533 0.1000 1 246 235 28 LYS CA C 58.7093 0.1000 1 247 235 28 LYS CB C 32.5099 0.1000 1 248 235 28 LYS CG C 26.1047 0.1000 1 249 235 28 LYS CD C 29.6387 0.1000 1 250 235 28 LYS CE C 41.7996 0.1000 1 251 235 28 LYS N N 116.2024 0.1000 1 252 236 29 THR H H 7.3629 0.0200 1 253 236 29 THR HA H 4.1467 0.0200 1 254 236 29 THR HB H 4.3289 0.0200 1 255 236 29 THR HG2 H 1.2547 0.0200 1 256 236 29 THR C C 173.5797 0.1000 1 257 236 29 THR CA C 62.8850 0.1000 1 258 236 29 THR CB C 69.5016 0.1000 1 259 236 29 THR CG2 C 21.5880 0.1000 1 260 236 29 THR N N 109.8468 0.1000 1 261 237 30 PHE H H 7.2018 0.0200 1 262 237 30 PHE HA H 4.6401 0.0200 1 263 237 30 PHE HB2 H 3.0450 0.0200 2 264 237 30 PHE HD1 H 7.2510 0.0200 3 265 237 30 PHE HD2 H 7.2510 0.0200 3 266 237 30 PHE C C 173.0142 0.1000 1 267 237 30 PHE CA C 56.5538 0.1000 1 268 237 30 PHE CB C 40.2119 0.1000 1 269 237 30 PHE CD1 C 133.2650 0.1000 3 270 237 30 PHE CD2 C 133.2650 0.1000 3 271 237 30 PHE CE1 C 131.1991 0.1000 3 272 237 30 PHE CE2 C 131.1991 0.1000 3 273 237 30 PHE N N 124.4964 0.1000 1 274 238 31 GLU H H 8.2205 0.0200 1 275 238 31 GLU C C 172.0688 0.1000 1 276 238 31 GLU CA C 52.3145 0.1000 1 277 238 31 GLU CB C 30.7928 0.1000 1 278 238 31 GLU N N 128.4073 0.1000 1 279 239 32 PRO HA H 3.9670 0.0200 1 280 239 32 PRO HB2 H 2.0096 0.0200 2 281 239 32 PRO HB3 H 1.7652 0.0200 2 282 239 32 PRO HG2 H 0.9479 0.0200 2 283 239 32 PRO C C 175.2710 0.1000 1 284 239 32 PRO CA C 62.1582 0.1000 1 285 239 32 PRO CB C 31.7107 0.1000 1 286 239 32 PRO CG C 26.9707 0.1000 1 287 240 33 THR H H 8.5436 0.0200 1 288 240 33 THR HA H 4.2401 0.0200 1 289 240 33 THR HB H 4.3119 0.0200 1 290 240 33 THR HG2 H 1.1668 0.0200 1 291 240 33 THR C C 174.8865 0.1000 1 292 240 33 THR CA C 62.4312 0.1000 1 293 240 33 THR CB C 68.6680 0.1000 1 294 240 33 THR CG2 C 21.8784 0.1000 1 295 240 33 THR N N 111.3353 0.1000 1 296 241 34 ASN H H 6.9639 0.0200 1 297 241 34 ASN HB3 H 2.1447 0.0200 2 298 241 34 ASN HD21 H 7.0010 0.0200 2 299 241 34 ASN HD22 H 8.5755 0.0200 2 300 241 34 ASN C C 171.8107 0.1000 1 301 241 34 ASN CA C 51.6964 0.1000 1 302 241 34 ASN CB C 39.9087 0.1000 1 303 241 34 ASN N N 120.1317 0.1000 1 304 241 34 ASN ND2 N 117.2047 0.1000 1 305 242 35 PRO HA H 4.4413 0.0200 1 306 242 35 PRO HB2 H 1.3369 0.0200 2 307 242 35 PRO HB3 H 1.9683 0.0200 2 308 242 35 PRO HG2 H 1.7920 0.0200 2 309 242 35 PRO C C 175.7100 0.1000 1 310 242 35 PRO CA C 63.9144 0.1000 1 311 242 35 PRO CB C 31.8515 0.1000 1 312 242 35 PRO CG C 28.5194 0.1000 1 313 243 36 PHE H H 8.3203 0.0200 1 314 243 36 PHE HA H 6.0497 0.0200 1 315 243 36 PHE HB2 H 2.8623 0.0200 2 316 243 36 PHE HD1 H 7.2350 0.0200 3 317 243 36 PHE HD2 H 7.2350 0.0200 3 318 243 36 PHE HE1 H 7.3328 0.0200 3 319 243 36 PHE HE2 H 7.3328 0.0200 3 320 243 36 PHE C C 173.5072 0.1000 1 321 243 36 PHE CA C 56.0350 0.1000 1 322 243 36 PHE CB C 43.0211 0.1000 1 323 243 36 PHE CD1 C 132.6541 0.1000 3 324 243 36 PHE CD2 C 132.6541 0.1000 3 325 243 36 PHE N N 118.1538 0.1000 1 326 244 37 PHE H H 8.6282 0.0200 1 327 244 37 PHE HA H 4.7225 0.0200 1 328 244 37 PHE HB2 H 2.6494 0.0200 2 329 244 37 PHE HB3 H 2.9662 0.0200 2 330 244 37 PHE C C 172.3866 0.1000 1 331 244 37 PHE CA C 56.0338 0.1000 1 332 244 37 PHE CB C 41.0433 0.1000 1 333 244 37 PHE N N 113.9665 0.1000 1 334 245 38 ARG H H 9.1316 0.0200 1 335 245 38 ARG HA H 5.6490 0.0200 1 336 245 38 ARG HB2 H 1.5926 0.0200 2 337 245 38 ARG HB3 H 1.8777 0.0200 2 338 245 38 ARG HG2 H 1.8577 0.0200 2 339 245 38 ARG HG3 H 1.5737 0.0200 2 340 245 38 ARG HD2 H 2.8890 0.0200 2 341 245 38 ARG HD3 H 3.2034 0.0200 2 342 245 38 ARG C C 175.6643 0.1000 1 343 245 38 ARG CA C 54.5531 0.1000 1 344 245 38 ARG CB C 33.2167 0.1000 1 345 245 38 ARG CG C 28.6894 0.1000 1 346 245 38 ARG CD C 43.3379 0.1000 1 347 245 38 ARG N N 119.8840 0.1000 1 348 246 39 VAL H H 9.2102 0.0200 1 349 246 39 VAL HA H 4.6036 0.0200 1 350 246 39 VAL HB H 2.1337 0.0200 1 351 246 39 VAL HG1 H 1.1048 0.0200 2 352 246 39 VAL HG2 H 1.1431 0.0200 2 353 246 39 VAL C C 173.9041 0.1000 1 354 246 39 VAL CA C 61.3939 0.1000 1 355 246 39 VAL CB C 37.1376 0.1000 1 356 246 39 VAL CG2 C 21.8208 0.1000 2 357 246 39 VAL N N 120.8116 0.1000 1 358 247 40 VAL H H 8.8240 0.0200 1 359 247 40 VAL HA H 4.4183 0.0200 1 360 247 40 VAL HB H 2.0801 0.0200 1 361 247 40 VAL HG1 H 1.0179 0.0200 2 362 247 40 VAL C C 176.7501 0.1000 1 363 247 40 VAL CA C 61.8947 0.1000 1 364 247 40 VAL CB C 31.9931 0.1000 1 365 247 40 VAL CG1 C 21.1854 0.1000 2 366 247 40 VAL N N 128.0356 0.1000 1 367 248 41 LEU H H 9.4277 0.0200 1 368 248 41 LEU C C 176.5780 0.1000 1 369 248 41 LEU CA C 57.1947 0.1000 1 370 248 41 LEU CB C 40.7367 0.1000 1 371 248 41 LEU CG C 27.3135 0.1000 1 372 248 41 LEU CD1 C 23.4482 0.1000 2 373 248 41 LEU N N 126.2908 0.1000 1 374 249 42 ARG H H 6.5082 0.0200 1 375 249 42 ARG C C 173.7146 0.1000 1 376 249 42 ARG CA C 53.1379 0.1000 1 377 249 42 ARG CB C 30.9656 0.1000 1 378 249 42 ARG N N 121.8333 0.1000 1 379 251 44 SER C C 173.8140 0.1000 1 380 252 45 TYR H H 8.0396 0.0200 1 381 252 45 TYR HA H 5.3821 0.0200 1 382 252 45 TYR HB2 H 4.0527 0.0200 2 383 252 45 TYR HB3 H 3.2796 0.0200 2 384 252 45 TYR HD1 H 7.1974 0.0200 3 385 252 45 TYR HD2 H 7.1974 0.0200 3 386 252 45 TYR HE1 H 7.0506 0.0200 3 387 252 45 TYR HE2 H 7.0506 0.0200 3 388 252 45 TYR C C 177.3857 0.1000 1 389 252 45 TYR CA C 53.7481 0.1000 1 390 252 45 TYR CB C 38.5718 0.1000 1 391 252 45 TYR CD1 C 131.9250 0.1000 3 392 252 45 TYR CD2 C 131.9250 0.1000 3 393 252 45 TYR CE1 C 118.6787 0.1000 3 394 252 45 TYR CE2 C 118.6787 0.1000 3 395 252 45 TYR N N 117.8638 0.1000 1 396 253 46 LEU H H 7.5676 0.0200 1 397 253 46 LEU HA H 4.9362 0.0200 1 398 253 46 LEU HB2 H 1.7534 0.0200 2 399 253 46 LEU HB3 H 1.9315 0.0200 2 400 253 46 LEU HD1 H 0.8955 0.0200 2 401 253 46 LEU HD2 H 0.6802 0.0200 2 402 253 46 LEU C C 175.4819 0.1000 1 403 253 46 LEU CA C 53.7500 0.1000 1 404 253 46 LEU CB C 43.9093 0.1000 1 405 253 46 LEU CG C 26.4851 0.1000 1 406 253 46 LEU CD1 C 22.9692 0.1000 2 407 253 46 LEU CD2 C 25.7911 0.1000 2 408 253 46 LEU N N 117.5383 0.1000 1 409 254 47 TYR H H 7.0861 0.0200 1 410 254 47 TYR HA H 4.7202 0.0200 1 411 254 47 TYR HD1 H 7.1032 0.0200 3 412 254 47 TYR HD2 H 7.1032 0.0200 3 413 254 47 TYR C C 173.9198 0.1000 1 414 254 47 TYR CA C 55.9912 0.1000 1 415 254 47 TYR CB C 40.5833 0.1000 1 416 254 47 TYR CD1 C 134.0490 0.1000 3 417 254 47 TYR CD2 C 134.0490 0.1000 3 418 254 47 TYR CE1 C 118.4166 0.1000 3 419 254 47 TYR CE2 C 118.4166 0.1000 3 420 254 47 TYR N N 115.6532 0.1000 1 421 255 48 ARG H H 8.2132 0.0200 1 422 255 48 ARG HA H 2.9194 0.0200 1 423 255 48 ARG HB2 H 1.5143 0.0200 2 424 255 48 ARG HB3 H 1.2221 0.0200 2 425 255 48 ARG HG2 H 1.3971 0.0200 2 426 255 48 ARG HG3 H 1.4410 0.0200 2 427 255 48 ARG HD2 H 3.1387 0.0200 2 428 255 48 ARG HD3 H 3.2256 0.0200 2 429 255 48 ARG C C 176.8053 0.1000 1 430 255 48 ARG CA C 58.3385 0.1000 1 431 255 48 ARG CB C 29.1914 0.1000 1 432 255 48 ARG CG C 26.7951 0.1000 1 433 255 48 ARG CD C 43.2509 0.1000 1 434 255 48 ARG N N 122.9170 0.1000 1 435 256 49 GLY H H 8.7962 0.0200 1 436 256 49 GLY HA2 H 4.2502 0.0200 2 437 256 49 GLY HA3 H 3.7670 0.0200 2 438 256 49 GLY C C 174.7939 0.1000 1 439 256 49 GLY CA C 45.0917 0.1000 1 440 256 49 GLY N N 115.1166 0.1000 1 441 257 50 CYS H H 7.6434 0.0200 1 442 257 50 CYS HA H 4.2309 0.0200 1 443 257 50 CYS HB2 H 3.1248 0.0200 2 444 257 50 CYS C C 172.7672 0.1000 1 445 257 50 CYS CA C 57.7260 0.1000 1 446 257 50 CYS CB C 28.2749 0.1000 1 447 257 50 CYS N N 117.2523 0.1000 1 448 258 51 ILE H H 7.9608 0.0200 1 449 258 51 ILE HA H 4.8106 0.0200 1 450 258 51 ILE HB H 1.5554 0.0200 1 451 258 51 ILE HG12 H 1.2624 0.0200 2 452 258 51 ILE HG13 H 1.0398 0.0200 2 453 258 51 ILE HG2 H 0.6623 0.0200 1 454 258 51 ILE HD1 H 0.6301 0.0200 1 455 258 51 ILE C C 174.9709 0.1000 1 456 258 51 ILE CA C 58.5370 0.1000 1 457 258 51 ILE CB C 42.0923 0.1000 1 458 258 51 ILE CG1 C 26.2627 0.1000 1 459 258 51 ILE CG2 C 19.3147 0.1000 1 460 258 51 ILE CD1 C 14.5277 0.1000 1 461 258 51 ILE N N 114.1680 0.1000 1 462 259 52 MET H H 7.7165 0.0200 1 463 259 52 MET HA H 4.1223 0.0200 1 464 259 52 MET HB2 H 0.9503 0.0200 2 465 259 52 MET HB3 H 0.8238 0.0200 2 466 259 52 MET HG2 H 0.6433 0.0200 2 467 259 52 MET HG3 H 1.1706 0.0200 2 468 259 52 MET C C 175.0260 0.1000 1 469 259 52 MET CA C 54.9191 0.1000 1 470 259 52 MET CB C 36.2361 0.1000 1 471 259 52 MET CG C 30.1272 0.1000 1 472 259 52 MET N N 120.0612 0.1000 1 473 260 53 TYR H H 8.5002 0.0200 1 474 260 53 TYR HA H 4.3861 0.0200 1 475 260 53 TYR HB2 H 2.9460 0.0200 2 476 260 53 TYR HD1 H 7.1340 0.0200 3 477 260 53 TYR HD2 H 7.1340 0.0200 3 478 260 53 TYR HE1 H 6.7488 0.0200 3 479 260 53 TYR HE2 H 6.7488 0.0200 3 480 260 53 TYR C C 175.7330 0.1000 1 481 260 53 TYR CA C 57.9531 0.1000 1 482 260 53 TYR CB C 38.8110 0.1000 1 483 260 53 TYR CD1 C 133.3478 0.1000 3 484 260 53 TYR CD2 C 133.3478 0.1000 3 485 260 53 TYR CE1 C 118.1388 0.1000 3 486 260 53 TYR CE2 C 118.1388 0.1000 3 487 260 53 TYR N N 126.1903 0.1000 1 488 261 54 LEU H H 8.1677 0.0200 1 489 261 54 LEU HB2 H 0.6730 0.0200 2 490 261 54 LEU HG H 0.6117 0.0200 1 491 261 54 LEU CA C 54.273 0.1000 1 492 261 54 LEU CB C 40.129 0.1000 1 493 261 54 LEU CG C 28.070 0.1000 1 494 261 54 LEU CD1 C 22.496 0.1000 2 495 261 54 LEU N N 122.5785 0.1000 1 496 264 57 GLY HA2 H 3.8516 0.0200 2 497 264 57 GLY HA3 H 3.7646 0.0200 2 498 264 57 GLY C C 176.1450 0.1000 1 499 264 57 GLY CA C 47.0067 0.1000 1 500 265 58 PHE H H 7.4179 0.0200 1 501 265 58 PHE HA H 4.1377 0.0200 1 502 265 58 PHE HB2 H 3.1176 0.0200 2 503 265 58 PHE HB3 H 2.5627 0.0200 2 504 265 58 PHE HD1 H 7.0060 0.0200 3 505 265 58 PHE HD2 H 7.0060 0.0200 3 506 265 58 PHE C C 177.0171 0.1000 1 507 265 58 PHE CA C 60.8960 0.1000 1 508 265 58 PHE CB C 39.9565 0.1000 1 509 265 58 PHE N N 121.8009 0.1000 1 510 266 59 ALA H H 8.2907 0.0200 1 511 266 59 ALA HA H 3.6798 0.0200 1 512 266 59 ALA HB H 1.2988 0.0200 1 513 266 59 ALA C C 178.7041 0.1000 1 514 266 59 ALA CA C 55.2151 0.1000 1 515 266 59 ALA CB C 19.2501 0.1000 1 516 266 59 ALA N N 120.0162 0.1000 1 517 267 60 GLU H H 8.5879 0.0200 1 518 267 60 GLU HA H 3.9472 0.0200 1 519 267 60 GLU HB2 H 1.9005 0.0200 2 520 267 60 GLU HB3 H 2.0599 0.0200 2 521 267 60 GLU HG2 H 2.2430 0.0200 2 522 267 60 GLU C C 177.9922 0.1000 1 523 267 60 GLU CA C 58.8000 0.1000 1 524 267 60 GLU CB C 29.4940 0.1000 1 525 267 60 GLU CG C 35.970 0.1000 1 526 267 60 GLU N N 115.7370 0.1000 1 527 268 61 LYS H H 7.0822 0.0200 1 528 268 61 LYS HA H 3.7289 0.0200 1 529 268 61 LYS HB2 H 0.7893 0.0200 2 530 268 61 LYS HB3 H 1.2018 0.0200 2 531 268 61 LYS HG2 H 0.3906 0.0200 2 532 268 61 LYS HG3 H 0.8570 0.0200 2 533 268 61 LYS HD2 H 1.3224 0.0200 2 534 268 61 LYS HE2 H 2.7657 0.0200 2 535 268 61 LYS HE3 H 2.7237 0.0200 2 536 268 61 LYS C C 178.4300 0.1000 1 537 268 61 LYS CA C 58.4695 0.1000 1 538 268 61 LYS CB C 33.2051 0.1000 1 539 268 61 LYS CG C 24.9072 0.1000 1 540 268 61 LYS CD C 29.0581 0.1000 1 541 268 61 LYS CE C 41.5020 0.1000 1 542 268 61 LYS N N 116.3840 0.1000 1 543 269 62 TYR H H 7.6660 0.0200 1 544 269 62 TYR HA H 4.6331 0.0200 1 545 269 62 TYR HB2 H 1.7776 0.0200 2 546 269 62 TYR HB3 H 2.8716 0.0200 2 547 269 62 TYR HD1 H 6.6949 0.0200 3 548 269 62 TYR HD2 H 6.6949 0.0200 3 549 269 62 TYR HE1 H 6.4204 0.0200 3 550 269 62 TYR HE2 H 6.4204 0.0200 3 551 269 62 TYR C C 176.9231 0.1000 1 552 269 62 TYR CA C 59.0449 0.1000 1 553 269 62 TYR CB C 40.8748 0.1000 1 554 269 62 TYR CD1 C 133.7898 0.1000 3 555 269 62 TYR CD2 C 133.7898 0.1000 3 556 269 62 TYR CE1 C 117.452 0.1000 3 557 269 62 TYR CE2 C 117.452 0.1000 3 558 269 62 TYR N N 112.1557 0.1000 1 559 270 63 LEU H H 8.1276 0.0200 1 560 270 63 LEU HA H 4.5537 0.0200 1 561 270 63 LEU HB2 H 1.6471 0.0200 2 562 270 63 LEU HB3 H 1.6511 0.0200 2 563 270 63 LEU HG H 0.7039 0.0200 1 564 270 63 LEU HD1 H 0.7805 0.0200 2 565 270 63 LEU C C 175.6573 0.1000 1 566 270 63 LEU CA C 53.4906 0.1000 1 567 270 63 LEU CB C 41.8037 0.1000 1 568 270 63 LEU CG C 26.8476 0.1000 1 569 270 63 LEU CD1 C 23.7183 0.1000 2 570 270 63 LEU N N 117.0385 0.1000 1 571 271 64 SER H H 7.2980 0.0200 1 572 271 64 SER HA H 2.2965 0.0200 1 573 271 64 SER HB2 H 3.4077 0.0200 2 574 271 64 SER C C 175.8760 0.1000 1 575 271 64 SER CA C 59.6957 0.1000 1 576 271 64 SER CB C 62.4620 0.1000 1 577 271 64 SER N N 113.7379 0.1000 1 578 272 65 GLY H H 7.6091 0.0200 1 579 272 65 GLY HA2 H 3.6620 0.0200 2 580 272 65 GLY C C 174.2570 0.1000 1 581 272 65 GLY CA C 44.9886 0.1000 1 582 272 65 GLY N N 110.6973 0.1000 1 583 273 66 ILE H H 7.4101 0.0200 1 584 273 66 ILE HA H 3.9619 0.0200 1 585 273 66 ILE HB H 1.7453 0.0200 1 586 273 66 ILE HG12 H 0.9684 0.0200 2 587 273 66 ILE HG13 H 0.9933 0.0200 2 588 273 66 ILE HG2 H 0.6540 0.0200 1 589 273 66 ILE HD1 H 0.3379 0.0200 1 590 273 66 ILE C C 175.0966 0.1000 1 591 273 66 ILE CA C 60.3881 0.1000 1 592 273 66 ILE CB C 37.7296 0.1000 1 593 273 66 ILE CG1 C 27.6225 0.1000 1 594 273 66 ILE CG2 C 17.6298 0.1000 1 595 273 66 ILE CD1 C 11.8707 0.1000 1 596 273 66 ILE N N 121.7306 0.1000 1 597 274 67 SER H H 8.4053 0.0200 1 598 274 67 SER HA H 4.8884 0.0200 1 599 274 67 SER HB2 H 3.8548 0.0200 2 600 274 67 SER HB3 H 3.8517 0.0200 2 601 274 67 SER C C 173.9749 0.1000 1 602 274 67 SER CA C 57.1528 0.1000 1 603 274 67 SER CB C 63.5653 0.1000 1 604 274 67 SER N N 120.6532 0.1000 1 605 275 68 GLY H H 8.3381 0.0200 1 606 275 68 GLY HA2 H 4.2664 0.0200 2 607 275 68 GLY HA3 H 3.7688 0.0200 2 608 275 68 GLY C C 172.3372 0.1000 1 609 275 68 GLY CA C 45.4744 0.1000 1 610 275 68 GLY N N 111.0608 0.1000 1 611 276 69 PHE H H 8.7517 0.0200 1 612 276 69 PHE HA H 4.8327 0.0200 1 613 276 69 PHE HB2 H 2.7905 0.0200 2 614 276 69 PHE HB3 H 2.8878 0.0200 2 615 276 69 PHE HD1 H 7.1380 0.0200 3 616 276 69 PHE HD2 H 7.1380 0.0200 3 617 276 69 PHE C C 176.6992 0.1000 1 618 276 69 PHE CA C 59.1935 0.1000 1 619 276 69 PHE CB C 40.4950 0.1000 1 620 276 69 PHE N N 119.4831 0.1000 1 621 277 70 ILE H H 9.1886 0.0200 1 622 277 70 ILE HA H 4.8804 0.0200 1 623 277 70 ILE HB H 1.9998 0.0200 1 624 277 70 ILE HG12 H 1.1329 0.0200 2 625 277 70 ILE HG13 H 1.3998 0.0200 2 626 277 70 ILE HG2 H 0.8429 0.0200 1 627 277 70 ILE HD1 H 0.8646 0.0200 1 628 277 70 ILE C C 174.5687 0.1000 1 629 277 70 ILE CA C 59.3252 0.1000 1 630 277 70 ILE CB C 41.3272 0.1000 1 631 277 70 ILE CG1 C 27.0608 0.1000 1 632 277 70 ILE CG2 C 18.4015 0.1000 1 633 277 70 ILE CD1 C 15.4431 0.1000 1 634 277 70 ILE N N 120.0313 0.1000 1 635 278 71 LYS H H 7.7796 0.0200 1 636 278 71 LYS HA H 4.9926 0.0200 1 637 278 71 LYS HB2 H 1.2907 0.0200 2 638 278 71 LYS HB3 H 1.9836 0.0200 2 639 278 71 LYS HG2 H 1.2926 0.0200 2 640 278 71 LYS HG3 H 1.5226 0.0200 2 641 278 71 LYS HD2 H 1.5228 0.0200 2 642 278 71 LYS HD3 H 1.3722 0.0200 2 643 278 71 LYS HE2 H 2.8306 0.0200 2 644 278 71 LYS C C 175.0391 0.1000 1 645 278 71 LYS CA C 55.0877 0.1000 1 646 278 71 LYS CB C 34.9521 0.1000 1 647 278 71 LYS CG C 25.0264 0.1000 1 648 278 71 LYS CD C 28.8236 0.1000 1 649 278 71 LYS CE C 41.9960 0.1000 1 650 278 71 LYS N N 119.4053 0.1000 1 651 279 72 VAL H H 9.0422 0.0200 1 652 279 72 VAL HA H 5.0255 0.0200 1 653 279 72 VAL HB H 1.6548 0.0200 1 654 279 72 VAL HG1 H 0.3330 0.0200 2 655 279 72 VAL HG2 H 0.5514 0.0200 2 656 279 72 VAL C C 175.0970 0.1000 1 657 279 72 VAL CA C 60.9568 0.1000 1 658 279 72 VAL CB C 32.8304 0.1000 1 659 279 72 VAL CG2 C 22.2866 0.1000 2 660 279 72 VAL N N 122.0263 0.1000 1 661 280 73 GLN H H 9.4194 0.0200 1 662 280 73 GLN HA H 5.7005 0.0200 1 663 280 73 GLN HB2 H 1.7750 0.0200 2 664 280 73 GLN HB3 H 1.8062 0.0200 2 665 280 73 GLN HG2 H 2.1454 0.0200 2 666 280 73 GLN HG3 H 2.1074 0.0200 2 667 280 73 GLN HE21 H 6.7006 0.0200 2 668 280 73 GLN HE22 H 7.7392 0.0200 2 669 280 73 GLN C C 173.7638 0.1000 1 670 280 73 GLN CA C 53.8006 0.1000 1 671 280 73 GLN CB C 33.4786 0.1000 1 672 280 73 GLN CG C 33.4867 0.1000 1 673 280 73 GLN N N 128.5663 0.1000 1 674 280 73 GLN NE2 N 109.8811 0.1000 1 675 281 74 LEU H H 8.9179 0.0200 1 676 281 74 LEU HA H 4.8399 0.0200 1 677 281 74 LEU HB2 H 1.4895 0.0200 2 678 281 74 LEU HB3 H 1.8306 0.0200 2 679 281 74 LEU HG H 1.6714 0.0200 1 680 281 74 LEU HD1 H 0.6544 0.0200 2 681 281 74 LEU HD2 H 0.6909 0.0200 2 682 281 74 LEU C C 176.2252 0.1000 1 683 281 74 LEU CA C 56.1347 0.1000 1 684 281 74 LEU CB C 45.4223 0.1000 1 685 281 74 LEU CG C 28.1311 0.1000 1 686 281 74 LEU CD1 C 24.9535 0.1000 2 687 281 74 LEU N N 128.4512 0.1000 1 688 282 75 ALA H H 9.4967 0.0200 1 689 282 75 ALA HA H 3.9823 0.0200 1 690 282 75 ALA HB H 1.5449 0.0200 1 691 282 75 ALA C C 176.6736 0.1000 1 692 282 75 ALA CA C 54.0128 0.1000 1 693 282 75 ALA CB C 16.4952 0.1000 1 694 282 75 ALA N N 130.9617 0.1000 1 695 283 76 GLU HA H 4.0287 0.0200 1 696 283 76 GLU HB2 H 2.0711 0.0200 2 697 283 76 GLU HB3 H 2.2235 0.0200 2 698 283 76 GLU C C 175.3590 0.1000 1 699 283 76 GLU CA C 57.4903 0.1000 1 700 283 76 GLU CB C 28.6201 0.1000 1 701 283 76 GLU CG C 36.5445 0.1000 1 702 284 77 LYS H H 7.7313 0.0200 1 703 284 77 LYS HA H 4.3721 0.0200 1 704 284 77 LYS HB2 H 1.4186 0.0200 2 705 284 77 LYS HB3 H 1.7327 0.0200 2 706 284 77 LYS HG2 H 1.2345 0.0200 2 707 284 77 LYS HG3 H 0.7473 0.0200 2 708 284 77 LYS HD2 H 1.5379 0.0200 2 709 284 77 LYS HE2 H 2.7056 0.0200 2 710 284 77 LYS HE3 H 2.6362 0.0200 2 711 284 77 LYS C C 174.1447 0.1000 1 712 284 77 LYS CA C 55.5517 0.1000 1 713 284 77 LYS CB C 35.5813 0.1000 1 714 284 77 LYS CG C 25.4524 0.1000 1 715 284 77 LYS CD C 29.1929 0.1000 1 716 284 77 LYS CE C 41.8675 0.1000 1 717 284 77 LYS N N 121.8423 0.1000 1 718 285 78 GLN H H 8.0206 0.0200 1 719 285 78 GLN HA H 5.3022 0.0200 1 720 285 78 GLN HB2 H 1.8685 0.0200 2 721 285 78 GLN HB3 H 1.4915 0.0200 2 722 285 78 GLN HG2 H 2.3346 0.0200 2 723 285 78 GLN HG3 H 1.8943 0.0200 2 724 285 78 GLN HE21 H 7.4468 0.0200 2 725 285 78 GLN HE22 H 6.8605 0.0200 2 726 285 78 GLN C C 175.3421 0.1000 1 727 285 78 GLN CA C 54.1603 0.1000 1 728 285 78 GLN CB C 31.8007 0.1000 1 729 285 78 GLN CG C 33.4366 0.1000 1 730 285 78 GLN N N 117.6173 0.1000 1 731 285 78 GLN NE2 N 110.0258 0.1000 1 732 286 79 TRP H H 9.7215 0.0200 1 733 286 79 TRP HA H 4.8571 0.0200 1 734 286 79 TRP HB2 H 3.6078 0.0200 2 735 286 79 TRP HB3 H 3.1482 0.0200 2 736 286 79 TRP HE1 H 10.7706 0.0200 1 737 286 79 TRP C C 173.8294 0.1000 1 738 286 79 TRP CA C 56.9117 0.1000 1 739 286 79 TRP CB C 32.1119 0.1000 1 740 286 79 TRP N N 125.6380 0.1000 1 741 286 79 TRP NE1 N 131.5271 0.1000 1 742 287 80 PRO HA H 5.1312 0.0200 1 743 287 80 PRO HB2 H 1.9483 0.0200 2 744 287 80 PRO HB3 H 1.7126 0.0200 2 745 287 80 PRO HG2 H 1.9825 0.0200 2 746 287 80 PRO HG3 H 2.2657 0.0200 2 747 287 80 PRO HD2 H 3.8318 0.0200 2 748 287 80 PRO HD3 H 3.8197 0.0200 2 749 287 80 PRO C C 177.7130 0.1000 1 750 287 80 PRO CA C 61.4720 0.1000 1 751 287 80 PRO CB C 31.4971 0.1000 1 752 287 80 PRO CG C 27.1634 0.1000 1 753 287 80 PRO CD C 50.6843 0.1000 1 754 288 81 VAL H H 9.1059 0.0200 1 755 288 81 VAL HA H 4.8012 0.0200 1 756 288 81 VAL HB H 1.3464 0.0200 1 757 288 81 VAL HG1 H 0.3094 0.0200 2 758 288 81 VAL HG2 H 0.5497 0.0200 2 759 288 81 VAL C C 174.3820 0.1000 1 760 288 81 VAL CA C 60.9635 0.1000 1 761 288 81 VAL CB C 35.7795 0.1000 1 762 288 81 VAL CG2 C 21.5873 0.1000 2 763 288 81 VAL N N 126.5576 0.1000 1 764 289 82 ARG H H 9.4076 0.0200 1 765 289 82 ARG HA H 3.7108 0.0200 1 766 289 82 ARG HB2 H 1.0772 0.0200 2 767 289 82 ARG HB3 H 1.8361 0.0200 2 768 289 82 ARG HG2 H 0.7844 0.0200 2 769 289 82 ARG HG3 H 1.1300 0.0200 2 770 289 82 ARG HD2 H 2.7094 0.0200 2 771 289 82 ARG HD3 H 2.8957 0.0200 2 772 289 82 ARG C C 173.8766 0.1000 1 773 289 82 ARG CA C 56.6979 0.1000 1 774 289 82 ARG CB C 30.7541 0.1000 1 775 289 82 ARG CG C 27.2541 0.1000 1 776 289 82 ARG CD C 43.0379 0.1000 1 777 289 82 ARG N N 129.9118 0.1000 1 778 290 83 CYS H H 8.6520 0.0200 1 779 290 83 CYS HA H 5.4108 0.0200 1 780 290 83 CYS HB2 H 2.7151 0.0200 2 781 290 83 CYS HB3 H 2.4645 0.0200 2 782 290 83 CYS C C 172.0269 0.1000 1 783 290 83 CYS CA C 56.8349 0.1000 1 784 290 83 CYS CB C 29.3233 0.1000 1 785 290 83 CYS N N 128.6673 0.1000 1 786 291 84 LEU H H 8.4864 0.0200 1 787 291 84 LEU HA H 4.7922 0.0200 1 788 291 84 LEU HB2 H 1.4764 0.0200 2 789 291 84 LEU HB3 H 1.4784 0.0200 2 790 291 84 LEU HG H 1.4176 0.0200 1 791 291 84 LEU HD1 H 0.7866 0.0200 2 792 291 84 LEU HD2 H 0.8422 0.0200 2 793 291 84 LEU C C 175.6300 0.1000 1 794 291 84 LEU CA C 53.8342 0.1000 1 795 291 84 LEU CB C 44.7911 0.1000 1 796 291 84 LEU CG C 27.2753 0.1000 1 797 291 84 LEU CD1 C 24.9010 0.1000 2 798 291 84 LEU N N 127.5850 0.1000 1 799 292 85 TYR H H 8.6297 0.0200 1 800 292 85 TYR HA H 5.1499 0.0200 1 801 292 85 TYR HB2 H 3.0114 0.0200 2 802 292 85 TYR HB3 H 2.7187 0.0200 2 803 292 85 TYR HD1 H 6.6962 0.0200 3 804 292 85 TYR HD2 H 6.6962 0.0200 3 805 292 85 TYR HE1 H 6.6080 0.0200 3 806 292 85 TYR HE2 H 6.6080 0.0200 3 807 292 85 TYR C C 175.0668 0.1000 1 808 292 85 TYR CA C 56.5571 0.1000 1 809 292 85 TYR CB C 40.4774 0.1000 1 810 292 85 TYR CD1 C 133.3058 0.1000 3 811 292 85 TYR CD2 C 133.3058 0.1000 3 812 292 85 TYR CE1 C 117.8091 0.1000 3 813 292 85 TYR CE2 C 117.8091 0.1000 3 814 292 85 TYR N N 126.8613 0.1000 1 815 293 86 LYS H H 8.4288 0.0200 1 816 293 86 LYS C C 175.2916 0.1000 1 817 293 86 LYS CA C 56.6963 0.1000 1 818 293 86 LYS CB C 35.2996 0.1000 1 819 293 86 LYS N N 128.1370 0.1000 1 820 294 87 ALA HA H 3.9323 0.0200 1 821 294 87 ALA HB H 1.2448 0.0200 1 822 294 87 ALA C C 176.7340 0.1000 1 823 294 87 ALA CA C 52.8306 0.1000 1 824 294 87 ALA CB C 17.2003 0.1000 1 825 295 88 GLY H H 6.9681 0.0200 1 826 295 88 GLY HA2 H 4.0321 0.0200 2 827 295 88 GLY HA3 H 3.6950 0.0200 2 828 295 88 GLY C C 172.9642 0.1000 1 829 295 88 GLY CA C 45.4298 0.1000 1 830 295 88 GLY N N 128.2178 0.1000 1 831 296 89 ARG H H 7.1968 0.0200 1 832 296 89 ARG HA H 4.5836 0.0200 1 833 296 89 ARG HB2 H 1.7151 0.0200 2 834 296 89 ARG HG2 H 1.4258 0.0200 2 835 296 89 ARG HD2 H 2.8745 0.0200 2 836 296 89 ARG C C 174.0653 0.1000 1 837 296 89 ARG CA C 53.8195 0.1000 1 838 296 89 ARG CB C 33.9496 0.1000 1 839 296 89 ARG CG C 26.5668 0.1000 1 840 296 89 ARG CD C 43.4238 0.1000 1 841 296 89 ARG N N 116.7653 0.1000 1 842 297 90 ALA H H 8.8243 0.0200 1 843 297 90 ALA HA H 5.4389 0.0200 1 844 297 90 ALA HB H 0.9987 0.0200 1 845 297 90 ALA C C 174.8931 0.1000 1 846 297 90 ALA CA C 49.8806 0.1000 1 847 297 90 ALA CB C 23.6183 0.1000 1 848 297 90 ALA N N 121.5198 0.1000 1 849 298 91 LYS H H 8.1604 0.0200 1 850 298 91 LYS HA H 4.7600 0.0200 1 851 298 91 LYS HB2 H 0.7979 0.0200 2 852 298 91 LYS HB3 H 0.8945 0.0200 2 853 298 91 LYS HG2 H 0.8004 0.0200 2 854 298 91 LYS HG3 H 1.1189 0.0200 2 855 298 91 LYS HD2 H 1.1472 0.0200 2 856 298 91 LYS HE2 H 2.6928 0.0200 2 857 298 91 LYS HE3 H 2.6953 0.0200 2 858 298 91 LYS C C 175.0751 0.1000 1 859 298 91 LYS CA C 53.1082 0.1000 1 860 298 91 LYS CB C 35.2355 0.1000 1 861 298 91 LYS CG C 23.0066 0.1000 1 862 298 91 LYS CD C 30.2037 0.1000 1 863 298 91 LYS N N 116.2403 0.1000 1 864 299 92 PHE H H 8.4528 0.0200 1 865 299 92 PHE HA H 5.8308 0.0200 1 866 299 92 PHE HB2 H 2.5640 0.0200 2 867 299 92 PHE HB3 H 2.9230 0.0200 2 868 299 92 PHE HD1 H 6.5300 0.0200 3 869 299 92 PHE HD2 H 6.5300 0.0200 3 870 299 92 PHE C C 176.8960 0.1000 1 871 299 92 PHE CA C 52.0207 0.1000 1 872 299 92 PHE CB C 39.9681 0.1000 1 873 299 92 PHE CD1 C 129.7167 0.1000 3 874 299 92 PHE CD2 C 129.7167 0.1000 3 875 299 92 PHE N N 120.0837 0.1000 1 876 300 93 SER H H 8.4245 0.0200 1 877 300 93 SER HA H 4.8756 0.0200 1 878 300 93 SER HB2 H 3.9802 0.0200 2 879 300 93 SER HB3 H 3.4703 0.0200 2 880 300 93 SER C C 175.2262 0.1000 1 881 300 93 SER CA C 55.7528 0.1000 1 882 300 93 SER CB C 63.8204 0.1000 1 883 300 93 SER N N 114.1240 0.1000 1 884 301 94 GLN HA H 4.2934 0.0200 1 885 301 94 GLN HB2 H 2.1622 0.0200 2 886 301 94 GLN C C 175.4330 0.1000 1 887 301 94 GLN CA C 58.8126 0.1000 1 888 301 94 GLN CB C 28.8073 0.1000 1 889 301 94 GLN CG C 33.8941 0.1000 1 890 302 95 GLY H H 9.0111 0.0200 1 891 302 95 GLY C C 176.5644 0.1000 1 892 302 95 GLY CA C 46.0825 0.1000 1 893 302 95 GLY N N 113.6572 0.1000 1 894 303 96 TRP H H 8.2942 0.0200 1 895 303 96 TRP HA H 4.5031 0.0200 1 896 303 96 TRP HB2 H 3.5241 0.0200 2 897 303 96 TRP HB3 H 3.1417 0.0200 2 898 303 96 TRP HD1 H 7.0503 0.0200 1 899 303 96 TRP HE1 H 10.5658 0.0200 1 900 303 96 TRP C C 176.3470 0.1000 1 901 303 96 TRP CA C 59.8786 0.1000 1 902 303 96 TRP CB C 28.5124 0.1000 1 903 303 96 TRP N N 123.0538 0.1000 1 904 303 96 TRP NE1 N 130.0888 0.1000 1 905 304 97 TYR H H 8.5743 0.0200 1 906 304 97 TYR HA H 3.6496 0.0200 1 907 304 97 TYR HB2 H 3.2391 0.0200 2 908 304 97 TYR HB3 H 2.7443 0.0200 2 909 304 97 TYR HD1 H 6.6836 0.0200 3 910 304 97 TYR HD2 H 6.6836 0.0200 3 911 304 97 TYR HE1 H 6.6731 0.0200 3 912 304 97 TYR HE2 H 6.6731 0.0200 3 913 304 97 TYR C C 177.7759 0.1000 1 914 304 97 TYR CA C 60.7653 0.1000 1 915 304 97 TYR CB C 38.1416 0.1000 1 916 304 97 TYR CD1 C 132.5829 0.1000 3 917 304 97 TYR CD2 C 132.5829 0.1000 3 918 304 97 TYR CE1 C 118.2775 0.1000 3 919 304 97 TYR CE2 C 118.2775 0.1000 3 920 304 97 TYR N N 118.5461 0.1000 1 921 305 98 GLU H H 10.1291 0.0200 1 922 305 98 GLU HA H 3.2879 0.0200 1 923 305 98 GLU HB2 H 2.1153 0.0200 2 924 305 98 GLU HB3 H 1.9206 0.0200 2 925 305 98 GLU HG2 H 2.2528 0.0200 2 926 305 98 GLU HG3 H 2.8273 0.0200 2 927 305 98 GLU C C 177.4460 0.1000 1 928 305 98 GLU CA C 62.2750 0.1000 1 929 305 98 GLU CB C 28.0036 0.1000 1 930 305 98 GLU CG C 38.9011 0.1000 1 931 305 98 GLU N N 121.2080 0.1000 1 932 306 99 PHE H H 7.3113 0.0200 1 933 306 99 PHE HA H 2.6198 0.0200 1 934 306 99 PHE HB2 H 2.9162 0.0200 2 935 306 99 PHE HB3 H 2.4774 0.0200 2 936 306 99 PHE HD1 H 6.1090 0.0200 3 937 306 99 PHE HD2 H 6.1090 0.0200 3 938 306 99 PHE C C 177.3529 0.1000 1 939 306 99 PHE CA C 61.2882 0.1000 1 940 306 99 PHE CB C 37.5053 0.1000 1 941 306 99 PHE CD1 C 131.934 0.1000 3 942 306 99 PHE CD2 C 131.934 0.1000 3 943 306 99 PHE CE1 C 130.665 0.1000 3 944 306 99 PHE CE2 C 130.665 0.1000 3 945 306 99 PHE N N 118.5026 0.1000 1 946 307 100 THR H H 7.3539 0.0200 1 947 307 100 THR HA H 3.0025 0.0200 1 948 307 100 THR HB H 3.4891 0.0200 1 949 307 100 THR HG2 H 0.3016 0.0200 1 950 307 100 THR C C 175.3810 0.1000 1 951 307 100 THR CA C 64.8763 0.1000 1 952 307 100 THR CB C 68.2515 0.1000 1 953 307 100 THR CG2 C 21.6410 0.1000 1 954 307 100 THR N N 111.6754 0.1000 1 955 308 101 LEU H H 7.6679 0.0200 1 956 308 101 LEU HA H 3.8243 0.0200 1 957 308 101 LEU HB2 H 1.2548 0.0200 2 958 308 101 LEU HB3 H 0.7791 0.0200 2 959 308 101 LEU HG H 1.1358 0.0200 1 960 308 101 LEU HD1 H 0.7325 0.0200 2 961 308 101 LEU HD2 H 0.7254 0.0200 2 962 308 101 LEU C C 181.2781 0.1000 1 963 308 101 LEU CA C 57.1389 0.1000 1 964 308 101 LEU CB C 42.6537 0.1000 1 965 308 101 LEU CG C 26.4776 0.1000 1 966 308 101 LEU CD1 C 24.9163 0.1000 2 967 308 101 LEU CD2 C 23.3112 0.1000 2 968 308 101 LEU N N 124.6403 0.1000 1 969 309 102 GLU H H 8.0639 0.0200 1 970 309 102 GLU HA H 3.8333 0.0200 1 971 309 102 GLU HB2 H 1.7101 0.0200 2 972 309 102 GLU HG2 H 2.4955 0.0200 2 973 309 102 GLU HG3 H 2.2241 0.0200 2 974 309 102 GLU C C 176.6933 0.1000 1 975 309 102 GLU CA C 58.6070 0.1000 1 976 309 102 GLU CB C 29.1959 0.1000 1 977 309 102 GLU CG C 37.5339 0.1000 1 978 309 102 GLU N N 117.6202 0.1000 1 979 310 103 ASN H H 6.3356 0.0200 1 980 310 103 ASN HA H 4.4676 0.0200 1 981 310 103 ASN HB2 H 1.9587 0.0200 2 982 310 103 ASN HB3 H 1.2707 0.0200 2 983 310 103 ASN HD21 H 7.5859 0.0200 2 984 310 103 ASN HD22 H 6.8330 0.0200 2 985 310 103 ASN C C 172.5645 0.1000 1 986 310 103 ASN CA C 53.0748 0.1000 1 987 310 103 ASN CB C 39.1695 0.1000 1 988 310 103 ASN N N 112.1820 0.1000 1 989 310 103 ASN ND2 N 112.1774 0.1000 1 990 311 104 ASN H H 7.6512 0.0200 1 991 311 104 ASN HA H 4.2444 0.0200 1 992 311 104 ASN HB2 H 2.8221 0.0200 2 993 311 104 ASN HB3 H 2.4515 0.0200 2 994 311 104 ASN HD21 H 6.7120 0.0200 2 995 311 104 ASN HD22 H 7.4670 0.0200 2 996 311 104 ASN C C 173.8724 0.1000 1 997 311 104 ASN CA C 54.2394 0.1000 1 998 311 104 ASN CB C 37.2859 0.1000 1 999 311 104 ASN N N 117.7996 0.1000 1 1000 311 104 ASN ND2 N 112.4804 0.1000 1 1001 312 105 LEU H H 7.9349 0.0200 1 1002 312 105 LEU HA H 4.3324 0.0200 1 1003 312 105 LEU HB2 H 1.0497 0.0200 2 1004 312 105 LEU HG H 0.4839 0.0200 1 1005 312 105 LEU HD1 H 0.9243 0.0200 2 1006 312 105 LEU HD2 H 0.2680 0.0200 2 1007 312 105 LEU C C 176.0246 0.1000 1 1008 312 105 LEU CA C 54.1912 0.1000 1 1009 312 105 LEU CB C 42.5462 0.1000 1 1010 312 105 LEU CG C 26.504 0.1000 1 1011 312 105 LEU CD2 C 26.5006 0.1000 2 1012 312 105 LEU N N 118.9091 0.1000 1 1013 313 106 GLY H H 9.2367 0.0200 1 1014 313 106 GLY HA2 H 3.5336 0.0200 2 1015 313 106 GLY HA3 H 4.4054 0.0200 2 1016 313 106 GLY C C 172.4580 0.1000 1 1017 313 106 GLY CA C 44.0935 0.1000 1 1018 313 106 GLY N N 109.5876 0.1000 1 1019 314 107 GLU H H 8.4818 0.0200 1 1020 314 107 GLU HA H 3.4121 0.0200 1 1021 314 107 GLU HB2 H 1.8097 0.0200 2 1022 314 107 GLU HB3 H 1.8872 0.0200 2 1023 314 107 GLU HG2 H 2.1992 0.0200 2 1024 314 107 GLU HG3 H 2.1133 0.0200 2 1025 314 107 GLU C C 176.3484 0.1000 1 1026 314 107 GLU CA C 57.7832 0.1000 1 1027 314 107 GLU CB C 29.0292 0.1000 1 1028 314 107 GLU CG C 35.5721 0.1000 1 1029 314 107 GLU N N 118.9266 0.1000 1 1030 315 108 GLY H H 8.5113 0.0200 1 1031 315 108 GLY HA2 H 4.2061 0.0200 2 1032 315 108 GLY HA3 H 3.3237 0.0200 2 1033 315 108 GLY C C 172.7920 0.1000 1 1034 315 108 GLY CA C 44.6201 0.1000 1 1035 315 108 GLY N N 113.1279 0.1000 1 1036 316 109 ASP H H 7.9241 0.0200 1 1037 316 109 ASP HA H 4.7743 0.0200 1 1038 316 109 ASP HB2 H 3.0066 0.0200 2 1039 316 109 ASP HB3 H 2.2656 0.0200 2 1040 316 109 ASP C C 175.3012 0.1000 1 1041 316 109 ASP CA C 55.5894 0.1000 1 1042 316 109 ASP CB C 40.9825 0.1000 1 1043 316 109 ASP N N 119.8215 0.1000 1 1044 317 110 VAL H H 8.9541 0.0200 1 1045 317 110 VAL HA H 4.9478 0.0200 1 1046 317 110 VAL HB H 2.1795 0.0200 1 1047 317 110 VAL HG1 H 0.8000 0.0200 2 1048 317 110 VAL HG2 H 1.0188 0.0200 2 1049 317 110 VAL C C 176.6770 0.1000 1 1050 317 110 VAL CA C 61.1482 0.1000 1 1051 317 110 VAL CB C 33.8838 0.1000 1 1052 317 110 VAL CG1 C 21.9098 0.1000 2 1053 317 110 VAL N N 120.8468 0.1000 1 1054 318 111 CYS H H 9.2618 0.0200 1 1055 318 111 CYS HA H 4.9339 0.0200 1 1056 318 111 CYS HB2 H 2.0866 0.0200 2 1057 318 111 CYS HB3 H 2.8937 0.0200 2 1058 318 111 CYS C C 173.1646 0.1000 1 1059 318 111 CYS CA C 58.7565 0.1000 1 1060 318 111 CYS CB C 31.7535 0.1000 1 1061 318 111 CYS N N 122.9148 0.1000 1 1062 319 112 VAL H H 9.1208 0.0200 1 1063 319 112 VAL HA H 4.6454 0.0200 1 1064 319 112 VAL HB H 2.4073 0.0200 1 1065 319 112 VAL HG1 H 0.9794 0.0200 2 1066 319 112 VAL HG2 H 1.1999 0.0200 2 1067 319 112 VAL C C 174.1457 0.1000 1 1068 319 112 VAL CA C 62.2355 0.1000 1 1069 319 112 VAL CB C 32.1905 0.1000 1 1070 319 112 VAL CG1 C 21.7126 0.1000 2 1071 319 112 VAL N N 125.4754 0.1000 1 1072 320 113 PHE H H 9.0207 0.0200 1 1073 320 113 PHE HA H 4.6522 0.0200 1 1074 320 113 PHE HB2 H 1.3020 0.0200 2 1075 320 113 PHE HB3 H 1.8937 0.0200 2 1076 320 113 PHE HD1 H 6.7140 0.0200 3 1077 320 113 PHE HD2 H 6.7140 0.0200 3 1078 320 113 PHE HE1 H 7.0301 0.0200 3 1079 320 113 PHE HE2 H 7.0301 0.0200 3 1080 320 113 PHE C C 174.1420 0.1000 1 1081 320 113 PHE CA C 56.1039 0.1000 1 1082 320 113 PHE CB C 41.2170 0.1000 1 1083 320 113 PHE N N 126.3970 0.1000 1 1084 321 114 GLU H H 9.3428 0.0200 1 1085 321 114 GLU HA H 5.3663 0.0200 1 1086 321 114 GLU HB2 H 1.9002 0.0200 2 1087 321 114 GLU HG2 H 2.1955 0.0200 2 1088 321 114 GLU HG3 H 2.0259 0.0200 2 1089 321 114 GLU C C 174.5907 0.1000 1 1090 321 114 GLU CA C 53.4672 0.1000 1 1091 321 114 GLU CB C 34.9009 0.1000 1 1092 321 114 GLU CG C 37.9437 0.1000 1 1093 321 114 GLU N N 120.7529 0.1000 1 1094 322 115 LEU H H 8.9876 0.0200 1 1095 322 115 LEU HA H 4.6083 0.0200 1 1096 322 115 LEU HB2 H 1.0145 0.0200 2 1097 322 115 LEU HB3 H 1.8244 0.0200 2 1098 322 115 LEU HG H 0.5534 0.0200 1 1099 322 115 LEU HD1 H 0.5040 0.0200 2 1100 322 115 LEU HD2 H 1.2680 0.0200 2 1101 322 115 LEU C C 174.6070 0.1000 1 1102 322 115 LEU CA C 54.6464 0.1000 1 1103 322 115 LEU CB C 43.9748 0.1000 1 1104 322 115 LEU CG C 23.8703 0.1000 1 1105 322 115 LEU CD1 C 26.7201 0.1000 2 1106 322 115 LEU N N 126.8919 0.1000 1 1107 323 116 LEU H H 8.3176 0.0200 1 1108 323 116 LEU HB2 H 1.8340 0.0200 2 1109 323 116 LEU HB3 H 1.8340 0.0200 2 1110 323 116 LEU CA C 54.7748 0.1000 1 1111 323 116 LEU N N 126.9820 0.1000 1 1112 329 122 VAL HA H 4.9427 0.0200 1 1113 329 122 VAL HB H 1.8639 0.0200 1 1114 329 122 VAL HG1 H 0.7433 0.0200 2 1115 329 122 VAL HG2 H 0.8031 0.0200 2 1116 329 122 VAL C C 175.1570 0.1000 1 1117 329 122 VAL CA C 60.8650 0.1000 1 1118 329 122 VAL CB C 36.2100 0.1000 1 1119 329 122 VAL CG1 C 21.6670 0.1000 2 1120 330 123 LEU H H 8.7030 0.0200 1 1121 330 123 LEU HA H 5.4214 0.0200 1 1122 330 123 LEU HB2 H 1.3895 0.0200 2 1123 330 123 LEU HB3 H 2.0283 0.0200 2 1124 330 123 LEU HG H 0.9879 0.0200 1 1125 330 123 LEU HD1 H 1.8818 0.0200 2 1126 330 123 LEU HD2 H 1.1307 0.0200 2 1127 330 123 LEU C C 175.1290 0.1000 1 1128 330 123 LEU CA C 51.9697 0.1000 1 1129 330 123 LEU CB C 44.3670 0.1000 1 1130 330 123 LEU CG C 24.3162 0.1000 1 1131 330 123 LEU CD1 C 26.9986 0.1000 2 1132 330 123 LEU N N 123.9938 0.1000 1 1133 331 124 LYS H H 9.7435 0.0200 1 1134 331 124 LYS HA H 4.8504 0.0200 1 1135 331 124 LYS HB2 H 1.7729 0.0200 2 1136 331 124 LYS HG2 H 1.3207 0.0200 2 1137 331 124 LYS C C 175.7704 0.1000 1 1138 331 124 LYS CA C 55.3691 0.1000 1 1139 331 124 LYS CB C 35.0219 0.1000 1 1140 331 124 LYS CG C 25.5608 0.1000 1 1141 331 124 LYS CD C 30.1351 0.1000 1 1142 331 124 LYS N N 126.3030 0.1000 1 1143 332 125 VAL H H 9.6639 0.0200 1 1144 332 125 VAL HA H 4.8607 0.0200 1 1145 332 125 VAL HB H 1.8517 0.0200 1 1146 332 125 VAL HG1 H 0.2700 0.0200 2 1147 332 125 VAL HG2 H 0.4475 0.0200 2 1148 332 125 VAL C C 175.1208 0.1000 1 1149 332 125 VAL CA C 60.8341 0.1000 1 1150 332 125 VAL CB C 33.2604 0.1000 1 1151 332 125 VAL CG1 C 23.6970 0.1000 2 1152 332 125 VAL CG2 C 21.0340 0.1000 2 1153 332 125 VAL N N 130.9131 0.1000 1 1154 333 126 THR H H 8.8616 0.0200 1 1155 333 126 THR HA H 4.1202 0.0200 1 1156 333 126 THR HB H 3.6266 0.0200 1 1157 333 126 THR HG2 H 0.3258 0.0200 1 1158 333 126 THR C C 172.7960 0.1000 1 1159 333 126 THR CA C 62.8556 0.1000 1 1160 333 126 THR CB C 69.4905 0.1000 1 1161 333 126 THR CG2 C 20.9879 0.1000 1 1162 333 126 THR N N 124.7541 0.1000 1 1163 334 127 ALA H H 8.7064 0.0200 1 1164 334 127 ALA HA H 5.1071 0.0200 1 1165 334 127 ALA HB H 0.9773 0.0200 1 1166 334 127 ALA C C 175.7700 0.1000 1 1167 334 127 ALA CA C 50.1320 0.1000 1 1168 334 127 ALA CB C 20.8631 0.1000 1 1169 334 127 ALA N N 129.7444 0.1000 1 1170 335 128 PHE H H 9.5112 0.0200 1 1171 335 128 PHE HA H 4.4619 0.0200 1 1172 335 128 PHE HB2 H 2.9790 0.0200 2 1173 335 128 PHE C C 174.6928 0.1000 1 1174 335 128 PHE CA C 57.4636 0.1000 1 1175 335 128 PHE CB C 39.1470 0.1000 1 1176 335 128 PHE N N 125.0025 0.1000 1 1177 336 129 ARG H H 8.5784 0.0200 1 1178 336 129 ARG HA H 4.3777 0.0200 1 1179 336 129 ARG C C 177.9401 0.1000 1 1180 336 129 ARG CA C 55.6329 0.1000 1 1181 336 129 ARG CB C 30.7796 0.1000 1 1182 336 129 ARG N N 122.8520 0.1000 1 1183 337 130 VAL H H 9.0389 0.0200 1 1184 337 130 VAL HA H 3.8700 0.0200 1 1185 337 130 VAL HB H 2.0314 0.0200 1 1186 337 130 VAL HG1 H 1.0039 0.0200 2 1187 337 130 VAL HG2 H 0.9108 0.0200 2 1188 337 130 VAL C C 176.9550 0.1000 1 1189 337 130 VAL CA C 64.5675 0.1000 1 1190 337 130 VAL CB C 32.1207 0.1000 1 1191 337 130 VAL CG1 C 21.3546 0.1000 2 1192 337 130 VAL CG2 C 22.4879 0.1000 2 1193 337 130 VAL N N 120.4439 0.1000 1 1194 338 131 ASN H H 8.7414 0.0200 1 1195 338 131 ASN HA H 4.5119 0.0200 1 1196 338 131 ASN HB2 H 2.6893 0.0200 2 1197 338 131 ASN HB3 H 2.6590 0.0200 2 1198 338 131 ASN HD21 H 7.0383 0.0200 2 1199 338 131 ASN HD22 H 7.7103 0.0200 2 1200 338 131 ASN C C 175.4155 0.1000 1 1201 338 131 ASN CA C 53.8919 0.1000 1 1202 338 131 ASN CB C 38.5501 0.1000 1 1203 338 131 ASN N N 116.6425 0.1000 1 1204 338 131 ASN ND2 N 112.1406 0.1000 1 1205 339 132 GLU H H 7.9906 0.0200 1 1206 339 132 GLU HA H 4.1043 0.0200 1 1207 339 132 GLU HB2 H 1.7221 0.0200 2 1208 339 132 GLU HB3 H 1.8224 0.0200 2 1209 339 132 GLU C C 176.1626 0.1000 1 1210 339 132 GLU CA C 56.7613 0.1000 1 1211 339 132 GLU CB C 29.8367 0.1000 1 1212 339 132 GLU CG C 36.7969 0.1000 1 1213 339 132 GLU N N 119.2340 0.1000 1 1214 340 133 TYR H H 7.9705 0.0200 1 1215 340 133 TYR HA H 4.5406 0.0200 1 1216 340 133 TYR HB2 H 3.1626 0.0200 2 1217 340 133 TYR HB3 H 2.7915 0.0200 2 1218 340 133 TYR HD1 H 7.0193 0.0200 3 1219 340 133 TYR HD2 H 7.0193 0.0200 3 1220 340 133 TYR C C 174.5685 0.1000 1 1221 340 133 TYR CA C 58.1080 0.1000 1 1222 340 133 TYR CB C 38.9996 0.1000 1 1223 340 133 TYR CD1 C 133.3594 0.1000 3 1224 340 133 TYR CD2 C 133.3594 0.1000 3 1225 340 133 TYR CE1 C 117.9953 0.1000 3 1226 340 133 TYR CE2 C 117.9953 0.1000 3 1227 340 133 TYR N N 119.5164 0.1000 1 1228 341 134 VAL H H 7.2296 0.0200 1 1229 341 134 VAL HA H 3.9334 0.0200 1 1230 341 134 VAL HB H 2.0072 0.0200 1 1231 341 134 VAL HG2 H 0.8457 0.0200 2 1232 341 134 VAL C C 180.6872 0.1000 1 1233 341 134 VAL CA C 63.8102 0.1000 1 1234 341 134 VAL CB C 33.1242 0.1000 1 1235 341 134 VAL CG2 C 21.2614 0.1000 2 1236 341 134 VAL N N 123.5970 0.1000 1 stop_ save_