data_16628 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C and 15N resonance assignments of the nucleotide-free wildtype cyclic nucleotide binding domain from a cyclic nucleotide-activated K+ channel ; _BMRB_accession_number 16628 _BMRB_flat_file_name bmr16628.str _Entry_type original _Submission_date 2009-12-06 _Accession_date 2009-12-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Nucleotide-free wildtype MloK1 channel cyclic nucleotide binding domain (CNBD)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schuenke Sven . . 2 Lecher Justin . . 3 Stoldt Matthias . . 4 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 736 "13C chemical shifts" 540 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-07-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15249 'CNBD in complex with cAMP' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of the nucleotide-free wildtype MloK1 cyclic nucleotide-binding domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20449776 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schunke Sven . . 2 Lecher Justin . . 3 Stoldt Matthias . . 4 Kaupp 'U. Benjamin' . . 5 Willbold Dieter . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 147 _Page_last 150 _Year 2010 _Details . loop_ _Keyword CNG 'cyclic nucleotide binding domain' HCN 'ion channels' 'NMR resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MloK1 CNBD monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MloK1 CNBD monomer' $MloK1_CNBD stop_ _System_molecular_weight 15297 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'ion channel gating' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MloK1_CNBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MloK1_CNBD _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'ion channel gating' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GSQEVRRGDFVRNWQLVAAV PLFQKLGPAVLVEIVRALRA RTVPAGAVICRIGEPGDRMF FVVEGSVSVATPNPVELGPG AFFGEMALISGEPRSATVSA ATTVSLLSLHSADFQMLCSS SPEIAEIFRKTALERRGAAA SA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 GLY 2 215 SER 3 216 GLN 4 217 GLU 5 218 VAL 6 219 ARG 7 220 ARG 8 221 GLY 9 222 ASP 10 223 PHE 11 224 VAL 12 225 ARG 13 226 ASN 14 227 TRP 15 228 GLN 16 229 LEU 17 230 VAL 18 231 ALA 19 232 ALA 20 233 VAL 21 234 PRO 22 235 LEU 23 236 PHE 24 237 GLN 25 238 LYS 26 239 LEU 27 240 GLY 28 241 PRO 29 242 ALA 30 243 VAL 31 244 LEU 32 245 VAL 33 246 GLU 34 247 ILE 35 248 VAL 36 249 ARG 37 250 ALA 38 251 LEU 39 252 ARG 40 253 ALA 41 254 ARG 42 255 THR 43 256 VAL 44 257 PRO 45 258 ALA 46 259 GLY 47 260 ALA 48 261 VAL 49 262 ILE 50 263 CYS 51 264 ARG 52 265 ILE 53 266 GLY 54 267 GLU 55 268 PRO 56 269 GLY 57 270 ASP 58 271 ARG 59 272 MET 60 273 PHE 61 274 PHE 62 275 VAL 63 276 VAL 64 277 GLU 65 278 GLY 66 279 SER 67 280 VAL 68 281 SER 69 282 VAL 70 283 ALA 71 284 THR 72 285 PRO 73 286 ASN 74 287 PRO 75 288 VAL 76 289 GLU 77 290 LEU 78 291 GLY 79 292 PRO 80 293 GLY 81 294 ALA 82 295 PHE 83 296 PHE 84 297 GLY 85 298 GLU 86 299 MET 87 300 ALA 88 301 LEU 89 302 ILE 90 303 SER 91 304 GLY 92 305 GLU 93 306 PRO 94 307 ARG 95 308 SER 96 309 ALA 97 310 THR 98 311 VAL 99 312 SER 100 313 ALA 101 314 ALA 102 315 THR 103 316 THR 104 317 VAL 105 318 SER 106 319 LEU 107 320 LEU 108 321 SER 109 322 LEU 110 323 HIS 111 324 SER 112 325 ALA 113 326 ASP 114 327 PHE 115 328 GLN 116 329 MET 117 330 LEU 118 331 CYS 119 332 SER 120 333 SER 121 334 SER 122 335 PRO 123 336 GLU 124 337 ILE 125 338 ALA 126 339 GLU 127 340 ILE 128 341 PHE 129 342 ARG 130 343 LYS 131 344 THR 132 345 ALA 133 346 LEU 134 347 GLU 135 348 ARG 136 349 ARG 137 350 GLY 138 351 ALA 139 352 ALA 140 353 ALA 141 354 SER 142 355 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 BMRB 15249 MlotiCNBDc 100.00 142 100.00 100.00 6.58e-94 BMRB 18024 "Cyclic nucleotide binding domain, subunit 1" 100.00 142 100.00 100.00 6.58e-94 PDB 1U12 "M. Loti Cyclic Nucleotide Binding Domain Mutant" 97.18 138 99.28 99.28 1.18e-89 PDB 1VP6 "M.Loti Ion Channel Cylic Nucleotide Binding Domain" 97.18 138 100.00 100.00 1.07e-90 PDB 2K0G "Solution Structure Of A Bacterial Cyclic Nucleotide- Activated K+ Channel Binding Domain In Complex With Camp" 100.00 142 100.00 100.00 6.58e-94 PDB 2KXL "Solution Structure Of A Bacterial Cyclic Nucleotide-Activated K+ Channel Binding Domain In The Unliganded State" 100.00 142 100.00 100.00 6.58e-94 PDB 2ZD9 "Structure Of A Bacterial Cyclic-Nucleotide Regulated Ion Channel" 98.59 355 100.00 100.00 2.58e-90 PDB 3BEH "Structure Of A Bacterial Cyclic Nucleotide Regulated Ion Channel" 98.59 355 100.00 100.00 2.58e-90 PDB 3CL1 "M. Loti Cyclic-Nucleotide Binding Domain, Cyclic-Gmp Bound" 98.59 140 100.00 100.00 1.84e-92 PDB 3CLP "M. Loti Cyclic-Nucleotide Binding Domain Mutant 2" 98.59 140 99.29 99.29 1.20e-91 PDB 3CO2 "Mlotik1 Ion Channel Cyclic-Nucleotide Binding Domain Mutant" 98.59 140 99.29 99.29 2.76e-91 PDB 4CHV "The Electron Crystallography Structure Of The Camp-bound Potassium Channel Mlok1" 98.59 361 100.00 100.00 2.87e-90 PDB 4CHW "The Electron Crystallography Structure Of The Camp-free Potassium Channel Mlok1" 98.59 361 100.00 100.00 2.87e-90 PDB 4MUV "M. Loti Cyclic-nucleotide Binding Domain Mutant Displaying Inverted Ligand Selectivity, Cyclic-gmp Bound" 100.00 142 97.89 98.59 1.07e-91 DBJ BAB50178 "mll3241 [Mesorhizobium loti MAFF303099]" 98.59 355 100.00 100.00 2.58e-90 REF WP_010911524 "Cyclic nucleotide-gated potassium channel mll3241 [Mesorhizobium loti]" 98.59 355 100.00 100.00 2.58e-90 REF WP_032931689 "cation tolerance protein CutA [Mesorhizobium loti]" 98.59 355 100.00 100.00 2.37e-90 SP Q98GN8 "RecName: Full=Cyclic nucleotide-gated potassium channel mll3241; AltName: Full=MlotiK1 channel" 98.59 355 100.00 100.00 2.58e-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 $MloK1_CNBD 'Mesorhizobium loti' 381 Bacteria . Mesorhizobium loti 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 $MloK1_CNBD 'recombinant technology' . Escherichia coli 'E. coli BL21(DE3)pLysE' pGEX-2T 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 $MloK1_CNBD 0.5 mM [U-15N] TRIS 10 mM '[U-99% 2H]' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % '[U-100% 2H]' H2O 95 % 'natural abundance' EDTA 200 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MloK1_CNBD 0.5 mM '[U-13C; U-15N]' TRIS 10 mM '[U-99% 2H]' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % '[U-100% 2H]' H2O 95 % 'natural abundance' EDTA 200 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCO' '3D HNHA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MloK1 CNBD monomer' _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 1 214 1 GLY HA2 H 3.832 0.020 1 2 214 1 GLY HA3 H 3.832 0.020 1 3 214 1 GLY CA C 43.864 0.3 1 4 215 2 SER HA H 4.463 0.020 1 5 215 2 SER HB2 H 3.886 0.020 2 6 215 2 SER HB3 H 3.838 0.020 2 7 215 2 SER CA C 58.650 0.3 1 8 215 2 SER CB C 63.856 0.3 1 9 216 3 GLN H H 8.489 0.020 1 10 216 3 GLN HA H 4.311 0.020 1 11 216 3 GLN HB2 H 2.087 0.020 2 12 216 3 GLN HB3 H 1.953 0.020 2 13 216 3 GLN HE21 H 7.509 0.020 1 14 216 3 GLN HE22 H 6.840 0.020 1 15 216 3 GLN HG2 H 2.342 0.020 1 16 216 3 GLN HG3 H 2.342 0.020 1 17 216 3 GLN CA C 56.212 0.3 1 18 216 3 GLN CB C 29.322 0.3 1 19 216 3 GLN CG C 33.890 0.3 1 20 216 3 GLN N N 122.952 0.3 1 21 216 3 GLN NE2 N 112.481 0.3 1 22 217 4 GLU H H 8.381 0.020 1 23 217 4 GLU HA H 4.237 0.020 1 24 217 4 GLU HB2 H 1.966 0.020 2 25 217 4 GLU HB3 H 1.906 0.020 2 26 217 4 GLU HG2 H 2.203 0.020 1 27 217 4 GLU HG3 H 2.203 0.020 1 28 217 4 GLU C C 176.580 0.3 1 29 217 4 GLU CA C 56.878 0.3 1 30 217 4 GLU CB C 30.216 0.3 1 31 217 4 GLU CG C 36.377 0.3 1 32 217 4 GLU N N 122.330 0.3 1 33 218 5 VAL H H 8.160 0.020 1 34 218 5 VAL HA H 3.995 0.020 1 35 218 5 VAL HB H 2.015 0.020 1 36 218 5 VAL HG1 H 0.879 0.020 1 37 218 5 VAL HG2 H 0.922 0.020 1 38 218 5 VAL C C 176.194 0.3 1 39 218 5 VAL CA C 62.748 0.3 1 40 218 5 VAL CB C 32.598 0.3 1 41 218 5 VAL CG1 C 21.186 0.3 1 42 218 5 VAL CG2 C 20.909 0.3 1 43 218 5 VAL N N 122.111 0.3 1 44 219 6 ARG H H 8.422 0.020 1 45 219 6 ARG HA H 4.324 0.020 1 46 219 6 ARG HB2 H 1.824 0.020 2 47 219 6 ARG HB3 H 1.739 0.020 2 48 219 6 ARG HD2 H 3.175 0.020 2 49 219 6 ARG HD3 H 3.080 0.020 2 50 219 6 ARG HG2 H 1.600 0.020 2 51 219 6 ARG HG3 H 1.528 0.020 2 52 219 6 ARG C C 177.848 0.3 1 53 219 6 ARG CA C 56.067 0.3 1 54 219 6 ARG CB C 30.661 0.3 1 55 219 6 ARG CD C 43.355 0.3 1 56 219 6 ARG CG C 27.326 0.3 1 57 219 6 ARG N N 124.809 0.3 1 58 221 8 GLY H H 8.558 0.020 1 59 221 8 GLY HA2 H 3.954 0.020 2 60 221 8 GLY HA3 H 3.915 0.020 2 61 221 8 GLY CA C 46.187 0.3 1 62 221 8 GLY N N 108.805 0.3 1 63 222 9 ASP H H 8.178 0.020 1 64 222 9 ASP HA H 4.467 0.020 1 65 222 9 ASP HB2 H 2.681 0.020 2 66 222 9 ASP HB3 H 2.645 0.020 2 67 222 9 ASP CA C 55.473 0.3 1 68 222 9 ASP CB C 40.580 0.3 1 69 222 9 ASP N N 120.981 0.3 1 70 223 10 PHE H H 8.026 0.020 1 71 223 10 PHE HA H 4.008 0.020 1 72 223 10 PHE HB2 H 3.205 0.020 2 73 223 10 PHE HB3 H 3.044 0.020 2 74 223 10 PHE HD1 H 7.073 0.020 1 75 223 10 PHE HD2 H 7.073 0.020 1 76 223 10 PHE CA C 62.356 0.3 1 77 223 10 PHE CB C 39.582 0.3 1 78 223 10 PHE CD1 C 132.342 0.3 1 79 223 10 PHE CD2 C 132.342 0.3 1 80 223 10 PHE N N 121.188 0.3 1 81 224 11 VAL H H 8.021 0.020 1 82 224 11 VAL HA H 3.524 0.020 1 83 224 11 VAL HB H 2.000 0.020 1 84 224 11 VAL HG1 H 1.020 0.020 1 85 224 11 VAL HG2 H 0.893 0.020 1 86 224 11 VAL C C 179.475 0.3 1 87 224 11 VAL CA C 66.369 0.3 1 88 224 11 VAL CB C 31.590 0.3 1 89 224 11 VAL CG1 C 22.911 0.3 1 90 224 11 VAL CG2 C 21.136 0.3 1 91 224 11 VAL N N 117.572 0.3 1 92 225 12 ARG H H 7.758 0.020 1 93 225 12 ARG HA H 3.995 0.020 1 94 225 12 ARG HB2 H 1.866 0.020 1 95 225 12 ARG HB3 H 1.866 0.020 1 96 225 12 ARG HD2 H 3.183 0.020 1 97 225 12 ARG HD3 H 3.183 0.020 1 98 225 12 ARG HG2 H 1.435 0.020 1 99 225 12 ARG HG3 H 1.435 0.020 1 100 225 12 ARG C C 178.937 0.3 1 101 225 12 ARG CA C 59.040 0.3 1 102 225 12 ARG CB C 29.723 0.3 1 103 225 12 ARG CD C 43.080 0.3 1 104 225 12 ARG CG C 26.525 0.3 1 105 225 12 ARG N N 120.916 0.3 1 106 226 13 ASN H H 8.450 0.020 1 107 226 13 ASN HA H 4.105 0.020 1 108 226 13 ASN HB2 H 2.730 0.020 2 109 226 13 ASN HB3 H 2.216 0.020 2 110 226 13 ASN HD21 H 7.340 0.020 1 111 226 13 ASN HD22 H 6.783 0.020 1 112 226 13 ASN C C 176.401 0.3 1 113 226 13 ASN CA C 55.473 0.3 1 114 226 13 ASN CB C 37.062 0.3 1 115 226 13 ASN N N 119.770 0.3 1 116 226 13 ASN ND2 N 108.071 0.3 1 117 227 14 TRP H H 8.680 0.020 1 118 227 14 TRP HA H 3.640 0.020 1 119 227 14 TRP HB2 H 3.257 0.020 2 120 227 14 TRP HB3 H 2.703 0.020 2 121 227 14 TRP HD1 H 6.820 0.020 1 122 227 14 TRP HE1 H 9.955 0.020 1 123 227 14 TRP HE3 H 7.197 0.020 1 124 227 14 TRP C C 177.024 0.3 1 125 227 14 TRP CA C 60.747 0.3 1 126 227 14 TRP CB C 28.270 0.3 1 127 227 14 TRP CD1 C 125.752 0.3 1 128 227 14 TRP CE3 C 120.098 0.3 1 129 227 14 TRP N N 121.488 0.3 1 130 227 14 TRP NE1 N 128.856 0.3 1 131 228 15 GLN H H 8.075 0.020 1 132 228 15 GLN HA H 3.758 0.020 1 133 228 15 GLN HB2 H 2.209 0.020 2 134 228 15 GLN HB3 H 2.048 0.020 2 135 228 15 GLN HE21 H 7.286 0.020 1 136 228 15 GLN HE22 H 6.794 0.020 1 137 228 15 GLN HG2 H 2.618 0.020 2 138 228 15 GLN HG3 H 2.407 0.020 2 139 228 15 GLN C C 178.751 0.3 1 140 228 15 GLN CA C 58.936 0.3 1 141 228 15 GLN CB C 28.450 0.3 1 142 228 15 GLN CG C 34.464 0.3 1 143 228 15 GLN N N 115.889 0.3 1 144 228 15 GLN NE2 N 111.103 0.3 1 145 229 16 LEU H H 7.475 0.020 1 146 229 16 LEU HA H 4.082 0.020 1 147 229 16 LEU HB2 H 1.756 0.020 2 148 229 16 LEU HB3 H 1.443 0.020 2 149 229 16 LEU HD1 H 0.827 0.020 1 150 229 16 LEU HD2 H 0.869 0.020 1 151 229 16 LEU HG H 1.763 0.020 1 152 229 16 LEU C C 178.855 0.3 1 153 229 16 LEU CA C 58.145 0.3 1 154 229 16 LEU CB C 42.135 0.3 1 155 229 16 LEU CD1 C 24.408 0.3 1 156 229 16 LEU CD2 C 26.644 0.3 1 157 229 16 LEU CG C 27.379 0.3 1 158 229 16 LEU N N 119.253 0.3 1 159 230 17 VAL H H 7.544 0.020 1 160 230 17 VAL HA H 3.393 0.020 1 161 230 17 VAL HB H 1.579 0.020 1 162 230 17 VAL HG1 H 0.317 0.020 1 163 230 17 VAL HG2 H 0.277 0.020 1 164 230 17 VAL C C 177.338 0.3 1 165 230 17 VAL CA C 65.835 0.3 1 166 230 17 VAL CB C 31.497 0.3 1 167 230 17 VAL CG1 C 22.742 0.3 1 168 230 17 VAL CG2 C 21.710 0.3 1 169 230 17 VAL N N 117.050 0.3 1 170 231 18 ALA H H 8.236 0.020 1 171 231 18 ALA HA H 3.667 0.020 1 172 231 18 ALA HB H 0.857 0.020 1 173 231 18 ALA C C 177.628 0.3 1 174 231 18 ALA CA C 53.783 0.3 1 175 231 18 ALA CB C 17.731 0.3 1 176 231 18 ALA N N 118.747 0.3 1 177 232 19 ALA H H 6.964 0.020 1 178 232 19 ALA HA H 4.274 0.020 1 179 232 19 ALA HB H 1.537 0.020 1 180 232 19 ALA C C 177.936 0.3 1 181 232 19 ALA CA C 52.038 0.3 1 182 232 19 ALA CB C 19.540 0.3 1 183 232 19 ALA N N 116.823 0.3 1 184 233 20 VAL H H 7.572 0.020 1 185 233 20 VAL HA H 4.032 0.020 1 186 233 20 VAL HB H 2.276 0.020 1 187 233 20 VAL HG1 H 0.930 0.020 1 188 233 20 VAL HG2 H 0.222 0.020 1 189 233 20 VAL CA C 60.481 0.3 1 190 233 20 VAL CB C 31.773 0.3 1 191 233 20 VAL CG1 C 21.858 0.3 1 192 233 20 VAL CG2 C 20.924 0.3 1 193 233 20 VAL N N 122.201 0.3 1 194 234 21 PRO HA H 4.541 0.020 1 195 234 21 PRO HB2 H 2.253 0.020 2 196 234 21 PRO HB3 H 1.851 0.020 2 197 234 21 PRO HD2 H 3.765 0.020 2 198 234 21 PRO HD3 H 3.498 0.020 2 199 234 21 PRO HG2 H 1.950 0.020 1 200 234 21 PRO HG3 H 1.950 0.020 1 201 234 21 PRO CA C 63.901 0.3 1 202 234 21 PRO CB C 32.940 0.3 1 203 234 21 PRO CD C 51.587 0.3 1 204 234 21 PRO CG C 27.170 0.3 1 205 235 22 LEU H H 6.582 0.020 1 206 235 22 LEU HA H 3.702 0.020 1 207 235 22 LEU HB2 H 0.771 0.020 2 208 235 22 LEU HB3 H 0.693 0.020 2 209 235 22 LEU HD1 H 0.320 0.020 1 210 235 22 LEU HD2 H 0.249 0.020 1 211 235 22 LEU HG H 0.990 0.020 1 212 235 22 LEU C C 175.739 0.3 1 213 235 22 LEU CA C 56.823 0.3 1 214 235 22 LEU CB C 42.112 0.3 1 215 235 22 LEU CD1 C 24.679 0.3 1 216 235 22 LEU CD2 C 23.562 0.3 1 217 235 22 LEU CG C 26.666 0.3 1 218 235 22 LEU N N 113.572 0.3 1 219 236 23 PHE H H 7.096 0.020 1 220 236 23 PHE HA H 4.759 0.020 1 221 236 23 PHE HB2 H 3.241 0.020 2 222 236 23 PHE HB3 H 2.900 0.020 2 223 236 23 PHE C C 177.062 0.3 1 224 236 23 PHE CA C 55.087 0.3 1 225 236 23 PHE CB C 38.721 0.3 1 226 236 23 PHE N N 111.392 0.3 1 227 237 24 GLN H H 7.367 0.020 1 228 237 24 GLN HA H 4.053 0.020 1 229 237 24 GLN HB2 H 2.121 0.020 2 230 237 24 GLN HB3 H 2.070 0.020 2 231 237 24 GLN HE21 H 7.345 0.020 1 232 237 24 GLN HE22 H 6.848 0.020 1 233 237 24 GLN HG2 H 2.481 0.020 2 234 237 24 GLN HG3 H 2.439 0.020 2 235 237 24 GLN C C 176.706 0.3 1 236 237 24 GLN CA C 58.558 0.3 1 237 237 24 GLN CB C 29.081 0.3 1 238 237 24 GLN CG C 34.312 0.3 1 239 237 24 GLN N N 118.191 0.3 1 240 237 24 GLN NE2 N 111.267 0.3 1 241 238 25 LYS H H 8.324 0.020 1 242 238 25 LYS HA H 4.226 0.020 1 243 238 25 LYS HB2 H 1.983 0.020 2 244 238 25 LYS HB3 H 1.769 0.020 2 245 238 25 LYS HD2 H 1.643 0.020 2 246 238 25 LYS HD3 H 1.602 0.020 2 247 238 25 LYS HE2 H 2.946 0.020 1 248 238 25 LYS HE3 H 2.946 0.020 1 249 238 25 LYS HG2 H 1.435 0.020 2 250 238 25 LYS HG3 H 1.375 0.020 2 251 238 25 LYS C C 176.566 0.3 1 252 238 25 LYS CA C 56.527 0.3 1 253 238 25 LYS CB C 31.767 0.3 1 254 238 25 LYS CD C 28.994 0.3 1 255 238 25 LYS CE C 42.129 0.3 1 256 238 25 LYS CG C 25.552 0.3 1 257 238 25 LYS N N 115.017 0.3 1 258 239 26 LEU H H 7.373 0.020 1 259 239 26 LEU HA H 4.301 0.020 1 260 239 26 LEU HB2 H 1.891 0.020 2 261 239 26 LEU HB3 H 1.337 0.020 2 262 239 26 LEU HD1 H 0.983 0.020 1 263 239 26 LEU HD2 H 0.883 0.020 1 264 239 26 LEU HG H 1.808 0.020 1 265 239 26 LEU C C 177.062 0.3 1 266 239 26 LEU CA C 54.879 0.3 1 267 239 26 LEU CB C 42.384 0.3 1 268 239 26 LEU CD1 C 26.667 0.3 1 269 239 26 LEU CD2 C 23.238 0.3 1 270 239 26 LEU CG C 26.820 0.3 1 271 239 26 LEU N N 118.809 0.3 1 272 240 27 GLY H H 8.389 0.020 1 273 240 27 GLY HA2 H 4.226 0.020 2 274 240 27 GLY HA3 H 4.027 0.020 2 275 240 27 GLY CA C 44.447 0.3 1 276 240 27 GLY N N 107.452 0.3 1 277 241 28 PRO HA H 4.333 0.020 1 278 241 28 PRO HB2 H 2.438 0.020 2 279 241 28 PRO HB3 H 2.054 0.020 2 280 241 28 PRO HD2 H 3.814 0.020 1 281 241 28 PRO HD3 H 3.814 0.020 1 282 241 28 PRO HG2 H 2.129 0.020 1 283 241 28 PRO HG3 H 2.129 0.020 1 284 241 28 PRO CA C 65.818 0.3 1 285 241 28 PRO CB C 32.041 0.3 1 286 241 28 PRO CD C 50.092 0.3 1 287 241 28 PRO CG C 27.680 0.3 1 288 242 29 ALA H H 8.366 0.020 1 289 242 29 ALA HA H 4.134 0.020 1 290 242 29 ALA HB H 1.427 0.020 1 291 242 29 ALA C C 180.275 0.3 1 292 242 29 ALA CA C 55.085 0.3 1 293 242 29 ALA CB C 18.087 0.3 1 294 242 29 ALA N N 118.667 0.3 1 295 243 30 VAL H H 7.524 0.020 1 296 243 30 VAL HA H 3.779 0.020 1 297 243 30 VAL HB H 2.068 0.020 1 298 243 30 VAL HG1 H 1.007 0.020 1 299 243 30 VAL HG2 H 0.916 0.020 1 300 243 30 VAL CA C 64.950 0.3 1 301 243 30 VAL CB C 31.751 0.3 1 302 243 30 VAL CG1 C 22.537 0.3 1 303 243 30 VAL CG2 C 22.643 0.3 1 304 243 30 VAL N N 117.931 0.3 1 305 244 31 LEU H H 7.839 0.020 1 306 244 31 LEU HA H 3.642 0.020 1 307 244 31 LEU HB2 H 1.678 0.020 2 308 244 31 LEU HB3 H 0.990 0.020 2 309 244 31 LEU HD1 H 0.570 0.020 1 310 244 31 LEU HD2 H 0.456 0.020 1 311 244 31 LEU HG H 1.414 0.020 1 312 244 31 LEU CA C 58.396 0.3 1 313 244 31 LEU CB C 41.473 0.3 1 314 244 31 LEU CD1 C 25.038 0.3 1 315 244 31 LEU CD2 C 23.483 0.3 1 316 244 31 LEU CG C 27.024 0.3 1 317 244 31 LEU N N 120.159 0.3 1 318 245 32 VAL H H 7.812 0.020 1 319 245 32 VAL HA H 3.634 0.020 1 320 245 32 VAL HB H 2.239 0.020 1 321 245 32 VAL HG1 H 1.140 0.020 1 322 245 32 VAL HG2 H 0.929 0.020 1 323 245 32 VAL C C 177.035 0.3 1 324 245 32 VAL CA C 67.200 0.3 1 325 245 32 VAL CB C 31.703 0.3 1 326 245 32 VAL CG1 C 23.275 0.3 1 327 245 32 VAL CG2 C 21.201 0.3 1 328 245 32 VAL N N 115.782 0.3 1 329 246 33 GLU H H 6.988 0.020 1 330 246 33 GLU HA H 4.074 0.020 1 331 246 33 GLU HB2 H 2.091 0.020 1 332 246 33 GLU HB3 H 2.091 0.020 1 333 246 33 GLU HG2 H 2.481 0.020 2 334 246 33 GLU HG3 H 2.440 0.020 2 335 246 33 GLU C C 179.483 0.3 1 336 246 33 GLU CA C 58.485 0.3 1 337 246 33 GLU CB C 29.203 0.3 1 338 246 33 GLU CG C 34.219 0.3 1 339 246 33 GLU N N 117.526 0.3 1 340 247 34 ILE H H 7.855 0.020 1 341 247 34 ILE HA H 3.367 0.020 1 342 247 34 ILE HB H 1.723 0.020 1 343 247 34 ILE HD1 H 0.280 0.020 1 344 247 34 ILE HG12 H 1.624 0.020 2 345 247 34 ILE HG13 H 0.649 0.020 2 346 247 34 ILE HG2 H 0.359 0.020 1 347 247 34 ILE C C 176.582 0.3 1 348 247 34 ILE CA C 65.528 0.3 1 349 247 34 ILE CB C 37.291 0.3 1 350 247 34 ILE CD1 C 13.471 0.3 1 351 247 34 ILE CG1 C 29.478 0.3 1 352 247 34 ILE CG2 C 17.340 0.3 1 353 247 34 ILE N N 120.197 0.3 1 354 248 35 VAL H H 8.074 0.020 1 355 248 35 VAL HA H 3.203 0.020 1 356 248 35 VAL HB H 2.081 0.020 1 357 248 35 VAL HG1 H 0.638 0.020 1 358 248 35 VAL HG2 H 0.569 0.020 1 359 248 35 VAL CA C 66.409 0.3 1 360 248 35 VAL CB C 31.026 0.3 1 361 248 35 VAL CG1 C 23.834 0.3 1 362 248 35 VAL CG2 C 22.697 0.3 1 363 248 35 VAL N N 117.548 0.3 1 364 249 36 ARG H H 8.013 0.020 1 365 249 36 ARG HA H 4.047 0.020 1 366 249 36 ARG HB2 H 1.953 0.020 2 367 249 36 ARG HB3 H 1.904 0.020 2 368 249 36 ARG HD2 H 3.146 0.020 2 369 249 36 ARG HD3 H 3.112 0.020 2 370 249 36 ARG HG2 H 1.996 0.020 2 371 249 36 ARG HG3 H 1.731 0.020 2 372 249 36 ARG C C 176.635 0.3 1 373 249 36 ARG CA C 59.043 0.3 1 374 249 36 ARG CB C 30.633 0.3 1 375 249 36 ARG CD C 43.793 0.3 1 376 249 36 ARG CG C 28.293 0.3 1 377 249 36 ARG N N 118.060 0.3 1 378 250 37 ALA H H 7.398 0.020 1 379 250 37 ALA HA H 4.341 0.020 1 380 250 37 ALA HB H 1.408 0.020 1 381 250 37 ALA C C 177.504 0.3 1 382 250 37 ALA CA C 52.169 0.3 1 383 250 37 ALA CB C 18.982 0.3 1 384 250 37 ALA N N 119.593 0.3 1 385 251 38 LEU H H 7.242 0.020 1 386 251 38 LEU HA H 4.572 0.020 1 387 251 38 LEU HB2 H 1.865 0.020 2 388 251 38 LEU HB3 H 1.182 0.020 2 389 251 38 LEU HD1 H 0.539 0.020 1 390 251 38 LEU HD2 H 0.524 0.020 1 391 251 38 LEU HG H 2.265 0.020 1 392 251 38 LEU C C 177.793 0.3 1 393 251 38 LEU CA C 55.516 0.3 1 394 251 38 LEU CB C 42.720 0.3 1 395 251 38 LEU CD1 C 26.824 0.3 1 396 251 38 LEU CD2 C 23.955 0.3 1 397 251 38 LEU CG C 25.305 0.3 1 398 251 38 LEU N N 118.889 0.3 1 399 252 39 ARG H H 8.865 0.020 1 400 252 39 ARG HA H 4.758 0.020 1 401 252 39 ARG HB2 H 1.858 0.020 1 402 252 39 ARG HB3 H 1.858 0.020 1 403 252 39 ARG HD2 H 3.177 0.020 2 404 252 39 ARG HD3 H 3.106 0.020 2 405 252 39 ARG HG2 H 1.648 0.020 1 406 252 39 ARG HG3 H 1.648 0.020 1 407 252 39 ARG C C 175.670 0.3 1 408 252 39 ARG CA C 54.185 0.3 1 409 252 39 ARG CB C 31.913 0.3 1 410 252 39 ARG CD C 43.440 0.3 1 411 252 39 ARG CG C 27.172 0.3 1 412 252 39 ARG N N 121.410 0.3 1 413 253 40 ALA H H 8.782 0.020 1 414 253 40 ALA HA H 5.230 0.020 1 415 253 40 ALA HB H 1.401 0.020 1 416 253 40 ALA C C 177.573 0.3 1 417 253 40 ALA CA C 51.898 0.3 1 418 253 40 ALA CB C 21.354 0.3 1 419 253 40 ALA N N 126.751 0.3 1 420 254 41 ARG H H 8.534 0.020 1 421 254 41 ARG HA H 4.645 0.020 1 422 254 41 ARG HB2 H 1.874 0.020 2 423 254 41 ARG HB3 H 1.760 0.020 2 424 254 41 ARG HD2 H 3.289 0.020 2 425 254 41 ARG HD3 H 3.114 0.020 2 426 254 41 ARG HG2 H 1.603 0.020 2 427 254 41 ARG HG3 H 1.560 0.020 2 428 254 41 ARG C C 173.960 0.3 1 429 254 41 ARG CA C 56.185 0.3 1 430 254 41 ARG CB C 34.668 0.3 1 431 254 41 ARG CD C 44.140 0.3 1 432 254 41 ARG CG C 26.808 0.3 1 433 254 41 ARG N N 120.603 0.3 1 434 255 42 THR H H 8.740 0.020 1 435 255 42 THR HA H 5.387 0.020 1 436 255 42 THR HB H 3.917 0.020 1 437 255 42 THR HG2 H 1.049 0.020 1 438 255 42 THR C C 174.137 0.3 1 439 255 42 THR CA C 61.576 0.3 1 440 255 42 THR CB C 70.552 0.3 1 441 255 42 THR CG2 C 21.492 0.3 1 442 255 42 THR N N 121.165 0.3 1 443 256 43 VAL H H 9.324 0.020 1 444 256 43 VAL HA H 4.693 0.020 1 445 256 43 VAL HB H 1.970 0.020 1 446 256 43 VAL HG1 H 0.917 0.020 1 447 256 43 VAL HG2 H 0.750 0.020 1 448 256 43 VAL CA C 58.188 0.3 1 449 256 43 VAL CB C 34.120 0.3 1 450 256 43 VAL CG1 C 21.904 0.3 1 451 256 43 VAL CG2 C 20.709 0.3 1 452 256 43 VAL N N 126.822 0.3 1 453 257 44 PRO HA H 4.527 0.020 1 454 257 44 PRO HB2 H 2.227 0.020 2 455 257 44 PRO HB3 H 1.894 0.020 2 456 257 44 PRO HD2 H 3.724 0.020 2 457 257 44 PRO HD3 H 3.640 0.020 2 458 257 44 PRO HG2 H 1.963 0.020 2 459 257 44 PRO HG3 H 1.938 0.020 2 460 257 44 PRO CA C 61.929 0.3 1 461 257 44 PRO CB C 32.785 0.3 1 462 257 44 PRO CD C 50.967 0.3 1 463 257 44 PRO CG C 27.094 0.3 1 464 258 45 ALA H H 7.799 0.020 1 465 258 45 ALA HA H 3.385 0.020 1 466 258 45 ALA HB H 1.153 0.020 1 467 258 45 ALA C C 178.676 0.3 1 468 258 45 ALA CA C 53.702 0.3 1 469 258 45 ALA CB C 18.474 0.3 1 470 258 45 ALA N N 120.429 0.3 1 471 259 46 GLY H H 8.661 0.020 1 472 259 46 GLY HA2 H 3.601 0.020 2 473 259 46 GLY HA3 H 4.271 0.020 2 474 259 46 GLY C C 174.250 0.3 1 475 259 46 GLY CA C 44.934 0.3 1 476 259 46 GLY N N 111.571 0.3 1 477 260 47 ALA H H 7.816 0.020 1 478 260 47 ALA HA H 4.283 0.020 1 479 260 47 ALA HB H 1.338 0.020 1 480 260 47 ALA C C 176.883 0.3 1 481 260 47 ALA CA C 52.291 0.3 1 482 260 47 ALA CB C 19.539 0.3 1 483 260 47 ALA N N 123.448 0.3 1 484 261 48 VAL H H 8.470 0.020 1 485 261 48 VAL HA H 3.759 0.020 1 486 261 48 VAL HB H 1.879 0.020 1 487 261 48 VAL HG1 H 0.910 0.020 1 488 261 48 VAL HG2 H 0.723 0.020 1 489 261 48 VAL C C 176.263 0.3 1 490 261 48 VAL CA C 63.764 0.3 1 491 261 48 VAL CB C 32.298 0.3 1 492 261 48 VAL CG1 C 22.004 0.3 1 493 261 48 VAL CG2 C 22.158 0.3 1 494 261 48 VAL N N 121.474 0.3 1 495 262 49 ILE H H 9.164 0.020 1 496 262 49 ILE HA H 3.746 0.020 1 497 262 49 ILE HB H 1.212 0.020 1 498 262 49 ILE HD1 H 0.589 0.020 1 499 262 49 ILE HG12 H 1.542 0.020 2 500 262 49 ILE HG13 H 0.684 0.020 2 501 262 49 ILE HG2 H 0.234 0.020 1 502 262 49 ILE C C 175.891 0.3 1 503 262 49 ILE CA C 63.513 0.3 1 504 262 49 ILE CB C 39.493 0.3 1 505 262 49 ILE CD1 C 15.242 0.3 1 506 262 49 ILE CG1 C 29.116 0.3 1 507 262 49 ILE CG2 C 17.336 0.3 1 508 262 49 ILE N N 129.568 0.3 1 509 263 50 CYS H H 7.857 0.020 1 510 263 50 CYS HA H 4.944 0.020 1 511 263 50 CYS HB2 H 2.984 0.020 1 512 263 50 CYS HB3 H 2.984 0.020 1 513 263 50 CYS C C 171.148 0.3 1 514 263 50 CYS CA C 55.811 0.3 1 515 263 50 CYS CB C 31.512 0.3 1 516 263 50 CYS N N 112.644 0.3 1 517 264 51 ARG H H 8.733 0.020 1 518 264 51 ARG HA H 4.744 0.020 1 519 264 51 ARG HB2 H 1.683 0.020 2 520 264 51 ARG HB3 H 1.448 0.020 2 521 264 51 ARG HD2 H 3.204 0.020 2 522 264 51 ARG HD3 H 3.137 0.020 2 523 264 51 ARG HG2 H 1.634 0.020 2 524 264 51 ARG HG3 H 1.572 0.020 2 525 264 51 ARG C C 174.774 0.3 1 526 264 51 ARG CA C 54.612 0.3 1 527 264 51 ARG CB C 33.308 0.3 1 528 264 51 ARG CD C 43.168 0.3 1 529 264 51 ARG CG C 28.227 0.3 1 530 264 51 ARG N N 123.052 0.3 1 531 265 52 ILE H H 8.088 0.020 1 532 265 52 ILE HA H 3.241 0.020 1 533 265 52 ILE HB H 1.626 0.020 1 534 265 52 ILE HD1 H 0.864 0.020 1 535 265 52 ILE HG12 H 1.290 0.020 2 536 265 52 ILE HG13 H 0.917 0.020 2 537 265 52 ILE HG2 H 0.808 0.020 1 538 265 52 ILE C C 174.967 0.3 1 539 265 52 ILE CA C 62.806 0.3 1 540 265 52 ILE CB C 38.291 0.3 1 541 265 52 ILE CD1 C 14.126 0.3 1 542 265 52 ILE CG1 C 29.043 0.3 1 543 265 52 ILE CG2 C 15.395 0.3 1 544 265 52 ILE N N 123.071 0.3 1 545 266 53 GLY H H 8.626 0.020 1 546 266 53 GLY HA2 H 4.276 0.020 2 547 266 53 GLY HA3 H 3.530 0.020 2 548 266 53 GLY C C 174.291 0.3 1 549 266 53 GLY CA C 45.180 0.3 1 550 266 53 GLY N N 113.037 0.3 1 551 267 54 GLU H H 7.781 0.020 1 552 267 54 GLU HA H 4.609 0.020 1 553 267 54 GLU HB2 H 2.231 0.020 2 554 267 54 GLU HB3 H 2.040 0.020 2 555 267 54 GLU HG2 H 2.449 0.020 2 556 267 54 GLU HG3 H 2.316 0.020 2 557 267 54 GLU CA C 54.837 0.3 1 558 267 54 GLU CB C 29.042 0.3 1 559 267 54 GLU CG C 37.312 0.3 1 560 267 54 GLU N N 121.651 0.3 1 561 268 55 PRO HA H 4.198 0.020 1 562 268 55 PRO HB2 H 2.289 0.020 2 563 268 55 PRO HB3 H 1.806 0.020 2 564 268 55 PRO HD2 H 3.908 0.020 2 565 268 55 PRO HD3 H 3.653 0.020 2 566 268 55 PRO HG2 H 2.134 0.020 2 567 268 55 PRO HG3 H 1.997 0.020 2 568 268 55 PRO CA C 63.557 0.3 1 569 268 55 PRO CB C 32.097 0.3 1 570 268 55 PRO CD C 50.511 0.3 1 571 268 55 PRO CG C 27.910 0.3 1 572 268 55 PRO N N 112.005 0.3 1 573 269 56 GLY H H 8.434 0.020 1 574 269 56 GLY HA2 H 4.162 0.020 2 575 269 56 GLY HA3 H 3.529 0.020 2 576 269 56 GLY CA C 45.821 0.3 1 577 269 56 GLY N N 112.214 0.3 1 578 270 57 ASP H H 7.734 0.020 1 579 270 57 ASP HA H 4.582 0.020 1 580 270 57 ASP HB2 H 2.860 0.020 2 581 270 57 ASP HB3 H 2.429 0.020 2 582 270 57 ASP CA C 52.870 0.3 1 583 270 57 ASP CB C 41.571 0.3 1 584 270 57 ASP N N 120.360 0.3 1 585 271 58 ARG H H 6.964 0.020 1 586 271 58 ARG HA H 4.786 0.020 1 587 271 58 ARG HB2 H 1.862 0.020 1 588 271 58 ARG HB3 H 1.862 0.020 1 589 271 58 ARG HD2 H 3.182 0.020 1 590 271 58 ARG HD3 H 3.182 0.020 1 591 271 58 ARG HG2 H 1.443 0.020 1 592 271 58 ARG HG3 H 1.443 0.020 1 593 271 58 ARG C C 172.954 0.3 1 594 271 58 ARG CA C 54.396 0.3 1 595 271 58 ARG CB C 31.770 0.3 1 596 271 58 ARG CD C 43.007 0.3 1 597 271 58 ARG CG C 26.733 0.3 1 598 271 58 ARG N N 112.902 0.3 1 599 272 59 MET H H 8.410 0.020 1 600 272 59 MET HA H 4.619 0.020 1 601 272 59 MET HB2 H 1.972 0.020 2 602 272 59 MET HB3 H 1.494 0.020 2 603 272 59 MET HE H 1.237 0.020 1 604 272 59 MET HG2 H 2.123 0.020 2 605 272 59 MET HG3 H 1.767 0.020 2 606 272 59 MET C C 172.444 0.3 1 607 272 59 MET CA C 53.793 0.3 1 608 272 59 MET CB C 34.802 0.3 1 609 272 59 MET CE C 17.944 0.3 1 610 272 59 MET CG C 30.909 0.3 1 611 272 59 MET N N 120.263 0.3 1 612 273 60 PHE H H 8.221 0.020 1 613 273 60 PHE HA H 5.317 0.020 1 614 273 60 PHE HB2 H 2.280 0.020 2 615 273 60 PHE HB3 H 2.280 0.020 2 616 273 60 PHE HD1 H 6.636 0.020 1 617 273 60 PHE HE1 H 7.090 0.020 1 618 273 60 PHE HZ H 7.036 0.020 1 619 273 60 PHE C C 173.405 0.3 1 620 273 60 PHE CA C 56.654 0.3 1 621 273 60 PHE CB C 44.118 0.3 1 622 273 60 PHE CD1 C 132.852 0.3 1 623 273 60 PHE CE1 C 130.730 0.3 1 624 273 60 PHE CZ C 129.976 0.3 1 625 273 60 PHE N N 116.861 0.3 1 626 274 61 PHE H H 9.195 0.020 1 627 274 61 PHE HA H 5.130 0.020 1 628 274 61 PHE HB2 H 2.944 0.020 2 629 274 61 PHE HB3 H 2.790 0.020 2 630 274 61 PHE HD1 H 7.062 0.020 3 631 274 61 PHE HD2 H 7.062 0.020 3 632 274 61 PHE C C 175.491 0.3 1 633 274 61 PHE CA C 55.997 0.3 1 634 274 61 PHE CB C 41.569 0.3 1 635 274 61 PHE CD1 C 133.162 0.3 1 636 274 61 PHE CD2 C 133.162 0.3 1 637 274 61 PHE N N 116.041 0.3 1 638 275 62 VAL H H 9.071 0.020 1 639 275 62 VAL HA H 4.001 0.020 1 640 275 62 VAL HB H 2.264 0.020 1 641 275 62 VAL HG1 H 0.781 0.020 1 642 275 62 VAL HG2 H 0.589 0.020 1 643 275 62 VAL C C 175.242 0.3 1 644 275 62 VAL CA C 63.395 0.3 1 645 275 62 VAL CB C 31.836 0.3 1 646 275 62 VAL CG1 C 21.539 0.3 1 647 275 62 VAL CG2 C 22.091 0.3 1 648 275 62 VAL N N 123.305 0.3 1 649 276 63 VAL H H 8.884 0.020 1 650 276 63 VAL HA H 4.090 0.020 1 651 276 63 VAL HB H 1.894 0.020 1 652 276 63 VAL HG1 H 0.894 0.020 1 653 276 63 VAL HG2 H 0.810 0.020 1 654 276 63 VAL C C 175.849 0.3 1 655 276 63 VAL CA C 64.352 0.3 1 656 276 63 VAL CB C 32.657 0.3 1 657 276 63 VAL CG1 C 21.410 0.3 1 658 276 63 VAL CG2 C 21.991 0.3 1 659 276 63 VAL N N 127.820 0.3 1 660 277 64 GLU H H 7.634 0.020 1 661 277 64 GLU HA H 4.466 0.020 1 662 277 64 GLU HB2 H 1.987 0.020 2 663 277 64 GLU HB3 H 1.900 0.020 2 664 277 64 GLU HG2 H 2.284 0.020 2 665 277 64 GLU HG3 H 2.239 0.020 2 666 277 64 GLU C C 174.098 0.3 1 667 277 64 GLU CA C 56.001 0.3 1 668 277 64 GLU CB C 34.284 0.3 1 669 277 64 GLU CG C 36.604 0.3 1 670 277 64 GLU N N 116.723 0.3 1 671 278 65 GLY H H 8.407 0.020 1 672 278 65 GLY HA2 H 4.570 0.020 2 673 278 65 GLY HA3 H 3.620 0.020 2 674 278 65 GLY C C 170.407 0.3 1 675 278 65 GLY CA C 44.329 0.3 1 676 278 65 GLY N N 112.193 0.3 1 677 279 66 SER H H 7.270 0.020 1 678 279 66 SER HA H 5.462 0.020 1 679 279 66 SER HB2 H 3.641 0.020 2 680 279 66 SER HB3 H 3.520 0.020 2 681 279 66 SER C C 174.206 0.3 1 682 279 66 SER CA C 56.383 0.3 1 683 279 66 SER CB C 66.101 0.3 1 684 279 66 SER N N 107.296 0.3 1 685 280 67 VAL H H 8.855 0.020 1 686 280 67 VAL HA H 4.858 0.020 1 687 280 67 VAL HB H 1.743 0.020 1 688 280 67 VAL HG1 H 0.602 0.020 1 689 280 67 VAL HG2 H 0.453 0.020 1 690 280 67 VAL C C 173.778 0.3 1 691 280 67 VAL CA C 58.668 0.3 1 692 280 67 VAL CB C 33.866 0.3 1 693 280 67 VAL CG1 C 22.975 0.3 1 694 280 67 VAL CG2 C 20.246 0.3 1 695 280 67 VAL N N 114.992 0.3 1 696 281 68 SER H H 9.150 0.020 1 697 281 68 SER HA H 4.918 0.020 1 698 281 68 SER HB2 H 3.602 0.020 2 699 281 68 SER HB3 H 3.487 0.020 2 700 281 68 SER C C 173.533 0.3 1 701 281 68 SER CA C 56.609 0.3 1 702 281 68 SER CB C 64.079 0.3 1 703 281 68 SER N N 116.949 0.3 1 704 282 69 VAL H H 9.140 0.020 1 705 282 69 VAL HA H 4.135 0.020 1 706 282 69 VAL HB H 2.131 0.020 1 707 282 69 VAL HG1 H 0.715 0.020 1 708 282 69 VAL HG2 H 0.536 0.020 1 709 282 69 VAL C C 176.139 0.3 1 710 282 69 VAL CA C 61.652 0.3 1 711 282 69 VAL CB C 32.119 0.3 1 712 282 69 VAL CG1 C 21.367 0.3 1 713 282 69 VAL CG2 C 19.929 0.3 1 714 282 69 VAL N N 128.443 0.3 1 715 283 70 ALA H H 8.627 0.020 1 716 283 70 ALA HA H 4.565 0.020 1 717 283 70 ALA HB H 1.326 0.020 1 718 283 70 ALA C C 179.082 0.3 1 719 283 70 ALA CA C 52.076 0.3 1 720 283 70 ALA CB C 16.771 0.3 1 721 283 70 ALA N N 131.867 0.3 1 722 284 71 THR H H 7.959 0.020 1 723 284 71 THR HA H 4.458 0.020 1 724 284 71 THR HB H 4.443 0.020 1 725 284 71 THR HG2 H 1.101 0.020 1 726 284 71 THR CA C 60.946 0.3 1 727 284 71 THR CB C 66.924 0.3 1 728 284 71 THR CG2 C 23.529 0.3 1 729 284 71 THR N N 113.852 0.3 1 730 285 72 PRO HA H 4.136 0.020 1 731 285 72 PRO HB2 H 2.343 0.020 2 732 285 72 PRO HB3 H 1.862 0.020 2 733 285 72 PRO HD2 H 3.828 0.020 2 734 285 72 PRO HD3 H 3.750 0.020 2 735 285 72 PRO HG2 H 2.157 0.020 2 736 285 72 PRO HG3 H 2.121 0.020 2 737 285 72 PRO CA C 65.844 0.3 1 738 285 72 PRO CB C 31.890 0.3 1 739 285 72 PRO CD C 50.142 0.3 1 740 285 72 PRO CG C 27.687 0.3 1 741 286 73 ASN H H 7.607 0.020 1 742 286 73 ASN HA H 5.214 0.020 1 743 286 73 ASN HB2 H 2.669 0.020 2 744 286 73 ASN HB3 H 2.609 0.020 2 745 286 73 ASN HD21 H 7.496 0.020 1 746 286 73 ASN HD22 H 6.856 0.020 1 747 286 73 ASN CA C 50.404 0.3 1 748 286 73 ASN CB C 38.555 0.3 1 749 286 73 ASN N N 113.160 0.3 1 750 286 73 ASN ND2 N 113.322 0.3 1 751 287 74 PRO HA H 4.551 0.020 1 752 287 74 PRO HB2 H 2.255 0.020 2 753 287 74 PRO HB3 H 1.855 0.020 2 754 287 74 PRO HD2 H 3.795 0.020 2 755 287 74 PRO HD3 H 3.755 0.020 2 756 287 74 PRO HG2 H 1.952 0.020 1 757 287 74 PRO HG3 H 1.952 0.020 1 758 287 74 PRO CA C 63.975 0.3 1 759 287 74 PRO CB C 32.862 0.3 1 760 287 74 PRO CD C 51.604 0.3 1 761 287 74 PRO CG C 27.036 0.3 1 762 288 75 VAL H H 7.895 0.020 1 763 288 75 VAL HA H 4.430 0.020 1 764 288 75 VAL HB H 1.878 0.020 1 765 288 75 VAL HG1 H 0.829 0.020 1 766 288 75 VAL HG2 H 0.807 0.020 1 767 288 75 VAL C C 173.726 0.3 1 768 288 75 VAL CA C 60.401 0.3 1 769 288 75 VAL CB C 36.242 0.3 1 770 288 75 VAL CG1 C 20.388 0.3 1 771 288 75 VAL CG2 C 21.190 0.3 1 772 288 75 VAL N N 117.848 0.3 1 773 289 76 GLU H H 8.319 0.020 1 774 289 76 GLU HA H 5.284 0.020 1 775 289 76 GLU HB2 H 1.828 0.020 2 776 289 76 GLU HB3 H 1.785 0.020 2 777 289 76 GLU HG2 H 2.105 0.020 2 778 289 76 GLU HG3 H 1.950 0.020 2 779 289 76 GLU C C 175.808 0.3 1 780 289 76 GLU CA C 54.519 0.3 1 781 289 76 GLU CB C 31.917 0.3 1 782 289 76 GLU CG C 36.777 0.3 1 783 289 76 GLU N N 124.960 0.3 1 784 290 77 LEU H H 8.754 0.020 1 785 290 77 LEU HA H 4.643 0.020 1 786 290 77 LEU HB2 H 1.477 0.020 2 787 290 77 LEU HB3 H 1.236 0.020 2 788 290 77 LEU HD1 H 0.535 0.020 1 789 290 77 LEU HD2 H 0.747 0.020 1 790 290 77 LEU HG H 1.278 0.020 1 791 290 77 LEU C C 175.491 0.3 1 792 290 77 LEU CA C 53.324 0.3 1 793 290 77 LEU CB C 43.707 0.3 1 794 290 77 LEU CD1 C 25.668 0.3 1 795 290 77 LEU CD2 C 22.608 0.3 1 796 290 77 LEU CG C 26.452 0.3 1 797 290 77 LEU N N 124.782 0.3 1 798 291 78 GLY H H 8.147 0.020 1 799 291 78 GLY HA2 H 5.031 0.020 2 800 291 78 GLY HA3 H 3.706 0.020 2 801 291 78 GLY CA C 43.456 0.3 1 802 291 78 GLY N N 110.369 0.3 1 803 292 79 PRO HA H 3.834 0.020 1 804 292 79 PRO HB2 H 2.266 0.020 2 805 292 79 PRO HB3 H 1.832 0.020 2 806 292 79 PRO HD2 H 3.956 0.020 2 807 292 79 PRO HD3 H 3.427 0.020 2 808 292 79 PRO HG2 H 2.216 0.020 2 809 292 79 PRO HG3 H 1.871 0.020 2 810 292 79 PRO CA C 63.972 0.3 1 811 292 79 PRO CB C 31.846 0.3 1 812 292 79 PRO CD C 49.505 0.3 1 813 292 79 PRO CG C 28.836 0.3 1 814 293 80 GLY H H 9.308 0.020 1 815 293 80 GLY HA2 H 4.512 0.020 2 816 293 80 GLY HA3 H 3.651 0.020 2 817 293 80 GLY C C 173.985 0.3 1 818 293 80 GLY CA C 45.038 0.3 1 819 293 80 GLY N N 114.140 0.3 1 820 294 81 ALA H H 8.230 0.020 1 821 294 81 ALA HA H 4.513 0.020 1 822 294 81 ALA HB H 1.586 0.020 1 823 294 81 ALA C C 175.367 0.3 1 824 294 81 ALA CA C 51.894 0.3 1 825 294 81 ALA CB C 22.387 0.3 1 826 294 81 ALA N N 122.036 0.3 1 827 295 82 PHE H H 7.376 0.020 1 828 295 82 PHE HA H 5.578 0.020 1 829 295 82 PHE HB2 H 2.775 0.020 2 830 295 82 PHE HB3 H 2.481 0.020 2 831 295 82 PHE C C 173.547 0.3 1 832 295 82 PHE CA C 54.643 0.3 1 833 295 82 PHE CB C 42.745 0.3 1 834 295 82 PHE N N 112.828 0.3 1 835 296 83 PHE H H 8.553 0.020 1 836 296 83 PHE HA H 5.125 0.020 1 837 296 83 PHE HB2 H 3.125 0.020 2 838 296 83 PHE HB3 H 2.990 0.020 2 839 296 83 PHE HD1 H 6.780 0.020 1 840 296 83 PHE HE1 H 6.769 0.020 1 841 296 83 PHE HZ H 6.429 0.020 1 842 296 83 PHE C C 174.264 0.3 1 843 296 83 PHE CA C 56.759 0.3 1 844 296 83 PHE CB C 39.204 0.3 1 845 296 83 PHE CD1 C 131.144 0.3 1 846 296 83 PHE CE1 C 131.898 0.3 1 847 296 83 PHE CZ C 128.633 0.3 1 848 296 83 PHE N N 113.047 0.3 1 849 297 84 GLY H H 9.247 0.020 1 850 297 84 GLY HA2 H 4.155 0.020 1 851 297 84 GLY HA3 H 4.155 0.020 1 852 297 84 GLY C C 175.366 0.3 1 853 297 84 GLY CA C 46.164 0.3 1 854 297 84 GLY N N 108.868 0.3 1 855 298 85 GLU H H 10.309 0.020 1 856 298 85 GLU HA H 4.136 0.020 1 857 298 85 GLU HB2 H 1.931 0.020 2 858 298 85 GLU HB3 H 1.722 0.020 2 859 298 85 GLU HG2 H 2.172 0.020 1 860 298 85 GLU HG3 H 2.172 0.020 1 861 298 85 GLU C C 177.494 0.3 1 862 298 85 GLU CA C 59.560 0.3 1 863 298 85 GLU CB C 28.131 0.3 1 864 298 85 GLU CG C 35.212 0.3 1 865 298 85 GLU N N 121.472 0.3 1 866 299 86 MET H H 8.669 0.020 1 867 299 86 MET HA H 4.462 0.020 1 868 299 86 MET HB2 H 2.063 0.020 2 869 299 86 MET HB3 H 2.032 0.020 2 870 299 86 MET HE H 1.986 0.020 1 871 299 86 MET HG2 H 2.787 0.020 2 872 299 86 MET HG3 H 2.554 0.020 2 873 299 86 MET C C 179.137 0.3 1 874 299 86 MET CA C 56.178 0.3 1 875 299 86 MET CB C 29.471 0.3 1 876 299 86 MET CE C 16.017 0.3 1 877 299 86 MET CG C 32.529 0.3 1 878 299 86 MET N N 118.545 0.3 1 879 300 87 ALA H H 8.052 0.020 1 880 300 87 ALA HA H 4.080 0.020 1 881 300 87 ALA HB H 1.156 0.020 1 882 300 87 ALA C C 178.579 0.3 1 883 300 87 ALA CA C 54.598 0.3 1 884 300 87 ALA CB C 19.162 0.3 1 885 300 87 ALA N N 122.945 0.3 1 886 301 88 LEU H H 7.185 0.020 1 887 301 88 LEU HA H 3.876 0.020 1 888 301 88 LEU HB2 H 1.300 0.020 2 889 301 88 LEU HB3 H 0.976 0.020 2 890 301 88 LEU HD1 H 0.261 0.020 1 891 301 88 LEU HD2 H 0.207 0.020 1 892 301 88 LEU HG H 1.222 0.020 1 893 301 88 LEU C C 176.842 0.3 1 894 301 88 LEU CA C 56.374 0.3 1 895 301 88 LEU CB C 41.166 0.3 1 896 301 88 LEU CD1 C 25.195 0.3 1 897 301 88 LEU CD2 C 22.891 0.3 1 898 301 88 LEU CG C 28.373 0.3 1 899 301 88 LEU N N 114.220 0.3 1 900 302 89 ILE H H 7.172 0.020 1 901 302 89 ILE HA H 4.154 0.020 1 902 302 89 ILE HB H 1.972 0.020 1 903 302 89 ILE HD1 H 0.788 0.020 1 904 302 89 ILE HG12 H 1.487 0.020 2 905 302 89 ILE HG13 H 1.062 0.020 2 906 302 89 ILE HG2 H 0.845 0.020 1 907 302 89 ILE C C 175.739 0.3 1 908 302 89 ILE CA C 62.031 0.3 1 909 302 89 ILE CB C 39.565 0.3 1 910 302 89 ILE CD1 C 13.532 0.3 1 911 302 89 ILE CG1 C 27.695 0.3 1 912 302 89 ILE CG2 C 17.832 0.3 1 913 302 89 ILE N N 113.894 0.3 1 914 303 90 SER H H 8.187 0.020 1 915 303 90 SER HA H 4.718 0.020 1 916 303 90 SER HB2 H 3.974 0.020 2 917 303 90 SER HB3 H 3.719 0.020 2 918 303 90 SER C C 175.146 0.3 1 919 303 90 SER CA C 57.653 0.3 1 920 303 90 SER CB C 65.734 0.3 1 921 303 90 SER N N 113.124 0.3 1 922 304 91 GLY H H 8.126 0.020 1 923 304 91 GLY HA2 H 4.381 0.020 2 924 304 91 GLY HA3 H 3.861 0.020 2 925 304 91 GLY C C 174.719 0.3 1 926 304 91 GLY CA C 46.338 0.3 1 927 304 91 GLY N N 111.604 0.3 1 928 305 92 GLU H H 7.460 0.020 1 929 305 92 GLU HA H 4.362 0.020 1 930 305 92 GLU HB2 H 1.936 0.020 2 931 305 92 GLU HB3 H 1.832 0.020 2 932 305 92 GLU HG2 H 2.172 0.020 1 933 305 92 GLU HG3 H 2.172 0.020 1 934 305 92 GLU CA C 55.080 0.3 1 935 305 92 GLU CB C 29.689 0.3 1 936 305 92 GLU CG C 36.120 0.3 1 937 305 92 GLU N N 120.172 0.3 1 938 306 93 PRO HA H 4.486 0.020 1 939 306 93 PRO HB2 H 1.978 0.020 2 940 306 93 PRO HB3 H 1.587 0.020 2 941 306 93 PRO HD2 H 3.799 0.020 2 942 306 93 PRO HD3 H 3.548 0.020 2 943 306 93 PRO HG2 H 1.953 0.020 2 944 306 93 PRO HG3 H 1.887 0.020 2 945 306 93 PRO CA C 62.103 0.3 1 946 306 93 PRO CB C 32.237 0.3 1 947 306 93 PRO CD C 50.600 0.3 1 948 306 93 PRO CG C 27.499 0.3 1 949 307 94 ARG H H 8.806 0.020 1 950 307 94 ARG HA H 4.601 0.020 1 951 307 94 ARG HB2 H 1.908 0.020 2 952 307 94 ARG HB3 H 1.795 0.020 2 953 307 94 ARG HD2 H 3.180 0.020 1 954 307 94 ARG HD3 H 3.180 0.020 1 955 307 94 ARG HG2 H 1.675 0.020 1 956 307 94 ARG HG3 H 1.675 0.020 1 957 307 94 ARG C C 180.906 0.3 1 958 307 94 ARG CA C 55.515 0.3 1 959 307 94 ARG CB C 30.195 0.3 1 960 307 94 ARG CD C 43.389 0.3 1 961 307 94 ARG CG C 27.368 0.3 1 962 307 94 ARG N N 117.966 0.3 1 963 308 95 SER HA H 4.354 0.020 1 964 308 95 SER HB2 H 4.014 0.020 2 965 308 95 SER HB3 H 3.876 0.020 2 966 308 95 SER CA C 58.930 0.3 1 967 308 95 SER CB C 64.041 0.3 1 968 309 96 ALA H H 7.308 0.020 1 969 309 96 ALA HA H 4.510 0.020 1 970 309 96 ALA HB H 1.055 0.020 1 971 309 96 ALA C C 175.312 0.3 1 972 309 96 ALA CA C 51.499 0.3 1 973 309 96 ALA CB C 22.598 0.3 1 974 309 96 ALA N N 120.467 0.3 1 975 310 97 THR H H 8.826 0.020 1 976 310 97 THR HA H 4.538 0.020 1 977 310 97 THR HB H 4.017 0.020 1 978 310 97 THR HG2 H 1.309 0.020 1 979 310 97 THR C C 173.257 0.3 1 980 310 97 THR CA C 62.008 0.3 1 981 310 97 THR CB C 69.793 0.3 1 982 310 97 THR CG2 C 22.589 0.3 1 983 310 97 THR N N 120.573 0.3 1 984 311 98 VAL H H 8.809 0.020 1 985 311 98 VAL HA H 4.897 0.020 1 986 311 98 VAL HB H 1.721 0.020 1 987 311 98 VAL HG1 H 0.524 0.020 1 988 311 98 VAL HG2 H 0.103 0.020 1 989 311 98 VAL C C 175.076 0.3 1 990 311 98 VAL CA C 60.973 0.3 1 991 311 98 VAL CB C 33.682 0.3 1 992 311 98 VAL CG1 C 20.937 0.3 1 993 311 98 VAL CG2 C 21.091 0.3 1 994 311 98 VAL N N 127.636 0.3 1 995 312 99 SER H H 8.964 0.020 1 996 312 99 SER HA H 5.188 0.020 1 997 312 99 SER HB2 H 3.517 0.020 1 998 312 99 SER HB3 H 3.517 0.020 1 999 312 99 SER C C 172.334 0.3 1 1000 312 99 SER CA C 56.336 0.3 1 1001 312 99 SER CB C 66.162 0.3 1 1002 312 99 SER N N 121.669 0.3 1 1003 313 100 ALA H H 8.923 0.020 1 1004 313 100 ALA HA H 4.306 0.020 1 1005 313 100 ALA HB H 1.605 0.020 1 1006 313 100 ALA C C 177.504 0.3 1 1007 313 100 ALA CA C 52.860 0.3 1 1008 313 100 ALA CB C 19.358 0.3 1 1009 313 100 ALA N N 125.643 0.3 1 1010 314 101 ALA H H 9.066 0.020 1 1011 314 101 ALA HA H 4.312 0.020 1 1012 314 101 ALA HB H 1.229 0.020 1 1013 314 101 ALA C C 177.807 0.3 1 1014 314 101 ALA CA C 54.147 0.3 1 1015 314 101 ALA CB C 18.778 0.3 1 1016 314 101 ALA N N 132.241 0.3 1 1017 315 102 THR H H 7.487 0.020 1 1018 315 102 THR HA H 4.502 0.020 1 1019 315 102 THR HB H 4.297 0.020 1 1020 315 102 THR HG2 H 1.114 0.020 1 1021 315 102 THR C C 173.640 0.3 1 1022 315 102 THR CA C 59.576 0.3 1 1023 315 102 THR CB C 70.858 0.3 1 1024 315 102 THR CG2 C 20.615 0.3 1 1025 315 102 THR N N 108.978 0.3 1 1026 316 103 THR H H 8.394 0.020 1 1027 316 103 THR HA H 4.590 0.020 1 1028 316 103 THR HB H 3.990 0.020 1 1029 316 103 THR HG2 H 1.109 0.020 1 1030 316 103 THR C C 176.635 0.3 1 1031 316 103 THR CA C 65.410 0.3 1 1032 316 103 THR CB C 68.781 0.3 1 1033 316 103 THR CG2 C 22.263 0.3 1 1034 316 103 THR N N 116.090 0.3 1 1035 317 104 VAL H H 9.239 0.020 1 1036 317 104 VAL HA H 5.069 0.020 1 1037 317 104 VAL HB H 1.882 0.020 1 1038 317 104 VAL HG1 H 0.937 0.020 1 1039 317 104 VAL HG2 H 0.918 0.020 1 1040 317 104 VAL C C 174.220 0.3 1 1041 317 104 VAL CA C 59.899 0.3 1 1042 317 104 VAL CB C 36.307 0.3 1 1043 317 104 VAL CG1 C 23.113 0.3 1 1044 317 104 VAL CG2 C 21.964 0.3 1 1045 317 104 VAL N N 130.770 0.3 1 1046 318 105 SER H H 8.647 0.020 1 1047 318 105 SER HA H 5.103 0.020 1 1048 318 105 SER HB2 H 3.950 0.020 2 1049 318 105 SER HB3 H 3.730 0.020 2 1050 318 105 SER C C 173.119 0.3 1 1051 318 105 SER CA C 57.175 0.3 1 1052 318 105 SER CB C 64.071 0.3 1 1053 318 105 SER N N 121.570 0.3 1 1054 319 106 LEU H H 9.372 0.020 1 1055 319 106 LEU HA H 5.575 0.020 1 1056 319 106 LEU HB2 H 1.817 0.020 2 1057 319 106 LEU HB3 H 1.724 0.020 2 1058 319 106 LEU HD1 H 0.736 0.020 1 1059 319 106 LEU HD2 H 0.851 0.020 1 1060 319 106 LEU HG H 1.716 0.020 1 1061 319 106 LEU C C 177.549 0.3 1 1062 319 106 LEU CA C 53.290 0.3 1 1063 319 106 LEU CB C 47.356 0.3 1 1064 319 106 LEU CD1 C 26.199 0.3 1 1065 319 106 LEU CD2 C 25.712 0.3 1 1066 319 106 LEU CG C 26.602 0.3 1 1067 319 106 LEU N N 126.114 0.3 1 1068 320 107 LEU H H 9.144 0.020 1 1069 320 107 LEU HA H 5.536 0.020 1 1070 320 107 LEU HB2 H 1.681 0.020 2 1071 320 107 LEU HB3 H 1.391 0.020 2 1072 320 107 LEU HD1 H 0.593 0.020 1 1073 320 107 LEU HD2 H 0.810 0.020 1 1074 320 107 LEU HG H 1.536 0.020 1 1075 320 107 LEU C C 176.333 0.3 1 1076 320 107 LEU CA C 53.382 0.3 1 1077 320 107 LEU CB C 46.128 0.3 1 1078 320 107 LEU CD1 C 26.025 0.3 1 1079 320 107 LEU CD2 C 22.553 0.3 1 1080 320 107 LEU CG C 26.555 0.3 1 1081 320 107 LEU N N 121.562 0.3 1 1082 321 108 SER H H 9.619 0.020 1 1083 321 108 SER HA H 5.535 0.020 1 1084 321 108 SER HB2 H 3.536 0.020 2 1085 321 108 SER HB3 H 3.364 0.020 2 1086 321 108 SER C C 172.651 0.3 1 1087 321 108 SER CA C 56.096 0.3 1 1088 321 108 SER CB C 66.894 0.3 1 1089 321 108 SER N N 115.791 0.3 1 1090 322 109 LEU H H 8.114 0.020 1 1091 322 109 LEU HA H 4.924 0.020 1 1092 322 109 LEU HB2 H 1.686 0.020 2 1093 322 109 LEU HB3 H 1.237 0.020 2 1094 322 109 LEU HD1 H 0.797 0.020 1 1095 322 109 LEU HD2 H 0.965 0.020 1 1096 322 109 LEU HG H 1.407 0.020 1 1097 322 109 LEU CA C 52.546 0.3 1 1098 322 109 LEU CB C 44.955 0.3 1 1099 322 109 LEU CD1 C 27.290 0.3 1 1100 322 109 LEU CD2 C 22.704 0.3 1 1101 322 109 LEU CG C 27.395 0.3 1 1102 322 109 LEU N N 123.238 0.3 1 1103 323 110 HIS HE1 H 7.669 0.020 1 1104 323 110 HIS CE1 C 137.975 0.3 1 1105 325 112 ALA HA H 4.161 0.020 1 1106 325 112 ALA HB H 1.454 0.020 1 1107 325 112 ALA CA C 55.622 0.3 1 1108 325 112 ALA CB C 18.419 0.3 1 1109 326 113 ASP H H 6.943 0.020 1 1110 326 113 ASP HA H 4.567 0.020 1 1111 326 113 ASP HB2 H 2.837 0.020 2 1112 326 113 ASP HB3 H 2.594 0.020 2 1113 326 113 ASP C C 178.096 0.3 1 1114 326 113 ASP CA C 57.098 0.3 1 1115 326 113 ASP CB C 40.957 0.3 1 1116 326 113 ASP N N 116.326 0.3 1 1117 327 114 PHE H H 8.322 0.020 1 1118 327 114 PHE HA H 4.087 0.020 1 1119 327 114 PHE HB2 H 3.108 0.020 2 1120 327 114 PHE HB3 H 2.781 0.020 2 1121 327 114 PHE C C 177.052 0.3 1 1122 327 114 PHE CA C 61.678 0.3 1 1123 327 114 PHE CB C 39.873 0.3 1 1124 327 114 PHE N N 121.063 0.3 1 1125 328 115 GLN H H 8.882 0.020 1 1126 328 115 GLN HA H 3.734 0.020 1 1127 328 115 GLN HB2 H 2.099 0.020 2 1128 328 115 GLN HB3 H 2.078 0.020 2 1129 328 115 GLN HE21 H 7.450 0.020 1 1130 328 115 GLN HE22 H 6.717 0.020 1 1131 328 115 GLN HG2 H 2.496 0.020 2 1132 328 115 GLN HG3 H 2.432 0.020 2 1133 328 115 GLN C C 178.972 0.3 1 1134 328 115 GLN CA C 59.102 0.3 1 1135 328 115 GLN CB C 27.832 0.3 1 1136 328 115 GLN CG C 34.001 0.3 1 1137 328 115 GLN N N 118.145 0.3 1 1138 328 115 GLN NE2 N 111.422 0.3 1 1139 329 116 MET H H 7.436 0.020 1 1140 329 116 MET HA H 4.169 0.020 1 1141 329 116 MET HB2 H 2.231 0.020 2 1142 329 116 MET HB3 H 2.203 0.020 2 1143 329 116 MET HE H 2.064 0.020 1 1144 329 116 MET HG2 H 2.684 0.020 2 1145 329 116 MET HG3 H 2.588 0.020 2 1146 329 116 MET C C 179.213 0.3 1 1147 329 116 MET CA C 58.612 0.3 1 1148 329 116 MET CB C 31.936 0.3 1 1149 329 116 MET CE C 16.853 0.3 1 1150 329 116 MET CG C 31.929 0.3 1 1151 329 116 MET N N 118.807 0.3 1 1152 330 117 LEU H H 7.757 0.020 1 1153 330 117 LEU HA H 4.066 0.020 1 1154 330 117 LEU HB2 H 1.755 0.020 2 1155 330 117 LEU HB3 H 1.331 0.020 2 1156 330 117 LEU HD1 H 0.751 0.020 1 1157 330 117 LEU HD2 H 0.702 0.020 1 1158 330 117 LEU HG H 1.800 0.020 1 1159 330 117 LEU C C 179.034 0.3 1 1160 330 117 LEU CA C 57.585 0.3 1 1161 330 117 LEU CB C 41.533 0.3 1 1162 330 117 LEU CD1 C 23.973 0.3 1 1163 330 117 LEU CD2 C 25.730 0.3 1 1164 330 117 LEU CG C 26.576 0.3 1 1165 330 117 LEU N N 120.818 0.3 1 1166 331 118 CYS H H 7.736 0.020 1 1167 331 118 CYS HA H 3.924 0.020 1 1168 331 118 CYS HB2 H 2.647 0.020 2 1169 331 118 CYS HB3 H 2.498 0.020 2 1170 331 118 CYS C C 175.767 0.3 1 1171 331 118 CYS CA C 62.271 0.3 1 1172 331 118 CYS CB C 27.148 0.3 1 1173 331 118 CYS N N 116.077 0.3 1 1174 332 119 SER H H 7.628 0.020 1 1175 332 119 SER HA H 4.139 0.020 1 1176 332 119 SER HB2 H 3.928 0.020 1 1177 332 119 SER HB3 H 3.928 0.020 1 1178 332 119 SER C C 175.353 0.3 1 1179 332 119 SER CA C 60.912 0.3 1 1180 332 119 SER CB C 63.106 0.3 1 1181 332 119 SER N N 113.591 0.3 1 1182 333 120 SER H H 7.454 0.020 1 1183 333 120 SER HA H 4.447 0.020 1 1184 333 120 SER HB2 H 3.925 0.020 2 1185 333 120 SER HB3 H 3.878 0.020 2 1186 333 120 SER C C 174.429 0.3 1 1187 333 120 SER CA C 59.536 0.3 1 1188 333 120 SER CB C 63.889 0.3 1 1189 333 120 SER N N 114.368 0.3 1 1190 334 121 SER H H 7.552 0.020 1 1191 334 121 SER HA H 4.988 0.020 1 1192 334 121 SER HB2 H 3.805 0.020 2 1193 334 121 SER HB3 H 3.781 0.020 2 1194 334 121 SER CA C 55.348 0.3 1 1195 334 121 SER CB C 63.844 0.3 1 1196 334 121 SER N N 116.550 0.3 1 1197 335 122 PRO HA H 4.418 0.020 1 1198 335 122 PRO HB2 H 2.384 0.020 2 1199 335 122 PRO HB3 H 1.972 0.020 2 1200 335 122 PRO HD2 H 3.862 0.020 2 1201 335 122 PRO HD3 H 3.584 0.020 2 1202 335 122 PRO HG2 H 2.065 0.020 2 1203 335 122 PRO HG3 H 1.996 0.020 2 1204 335 122 PRO CA C 64.820 0.3 1 1205 335 122 PRO CB C 32.077 0.3 1 1206 335 122 PRO CD C 50.817 0.3 1 1207 335 122 PRO CG C 27.361 0.3 1 1208 336 123 GLU H H 9.312 0.020 1 1209 336 123 GLU HA H 4.163 0.020 1 1210 336 123 GLU HB2 H 2.011 0.020 2 1211 336 123 GLU HB3 H 1.997 0.020 2 1212 336 123 GLU HG2 H 2.323 0.020 2 1213 336 123 GLU HG3 H 2.264 0.020 2 1214 336 123 GLU CA C 59.260 0.3 1 1215 336 123 GLU CB C 28.865 0.3 1 1216 336 123 GLU CG C 36.345 0.3 1 1217 336 123 GLU N N 118.964 0.3 1 1218 337 124 ILE H H 7.811 0.020 1 1219 337 124 ILE HA H 3.749 0.020 1 1220 337 124 ILE HB H 1.899 0.020 1 1221 337 124 ILE HD1 H 0.765 0.020 1 1222 337 124 ILE HG12 H 1.651 0.020 2 1223 337 124 ILE HG13 H 1.115 0.020 2 1224 337 124 ILE HG2 H 0.821 0.020 1 1225 337 124 ILE C C 177.411 0.3 1 1226 337 124 ILE CA C 64.666 0.3 1 1227 337 124 ILE CB C 37.752 0.3 1 1228 337 124 ILE CD1 C 14.021 0.3 1 1229 337 124 ILE CG1 C 28.737 0.3 1 1230 337 124 ILE CG2 C 18.177 0.3 1 1231 337 124 ILE N N 119.542 0.3 1 1232 338 125 ALA H H 7.599 0.020 1 1233 338 125 ALA HA H 4.067 0.020 1 1234 338 125 ALA HB H 1.528 0.020 1 1235 338 125 ALA C C 180.068 0.3 1 1236 338 125 ALA CA C 55.650 0.3 1 1237 338 125 ALA CB C 18.365 0.3 1 1238 338 125 ALA N N 121.146 0.3 1 1239 339 126 GLU H H 7.707 0.020 1 1240 339 126 GLU HA H 4.179 0.020 1 1241 339 126 GLU HB2 H 2.128 0.020 2 1242 339 126 GLU HB3 H 2.064 0.020 2 1243 339 126 GLU HG2 H 2.303 0.020 1 1244 339 126 GLU HG3 H 2.303 0.020 1 1245 339 126 GLU C C 178.579 0.3 1 1246 339 126 GLU CA C 58.898 0.3 1 1247 339 126 GLU CB C 29.631 0.3 1 1248 339 126 GLU CG C 35.773 0.3 1 1249 339 126 GLU N N 116.927 0.3 1 1250 340 127 ILE H H 7.763 0.020 1 1251 340 127 ILE HA H 3.801 0.020 1 1252 340 127 ILE HB H 1.925 0.020 1 1253 340 127 ILE HD1 H 0.861 0.020 1 1254 340 127 ILE HG12 H 1.696 0.020 2 1255 340 127 ILE HG13 H 1.201 0.020 2 1256 340 127 ILE HG2 H 0.846 0.020 1 1257 340 127 ILE C C 178.999 0.3 1 1258 340 127 ILE CA C 64.495 0.3 1 1259 340 127 ILE CB C 38.258 0.3 1 1260 340 127 ILE CD1 C 13.652 0.3 1 1261 340 127 ILE CG1 C 29.044 0.3 1 1262 340 127 ILE CG2 C 17.665 0.3 1 1263 340 127 ILE N N 119.806 0.3 1 1264 341 128 PHE H H 8.349 0.020 1 1265 341 128 PHE HA H 4.141 0.020 1 1266 341 128 PHE HB2 H 3.236 0.020 2 1267 341 128 PHE HB3 H 3.180 0.020 2 1268 341 128 PHE C C 176.773 0.3 1 1269 341 128 PHE CA C 61.607 0.3 1 1270 341 128 PHE CB C 39.703 0.3 1 1271 341 128 PHE N N 121.950 0.3 1 1272 342 129 ARG H H 8.313 0.020 1 1273 342 129 ARG HA H 3.894 0.020 1 1274 342 129 ARG HB2 H 2.011 0.020 2 1275 342 129 ARG HB3 H 1.951 0.020 2 1276 342 129 ARG HD2 H 3.278 0.020 2 1277 342 129 ARG HD3 H 3.214 0.020 2 1278 342 129 ARG HG2 H 1.735 0.020 2 1279 342 129 ARG HG3 H 1.571 0.020 2 1280 342 129 ARG C C 178.083 0.3 1 1281 342 129 ARG CA C 59.739 0.3 1 1282 342 129 ARG CB C 30.522 0.3 1 1283 342 129 ARG CD C 43.315 0.3 1 1284 342 129 ARG CG C 28.075 0.3 1 1285 342 129 ARG N N 118.890 0.3 1 1286 343 130 LYS H H 8.099 0.020 1 1287 343 130 LYS HA H 3.981 0.020 1 1288 343 130 LYS HB2 H 1.919 0.020 2 1289 343 130 LYS HB3 H 1.854 0.020 2 1290 343 130 LYS HD2 H 1.649 0.020 1 1291 343 130 LYS HD3 H 1.649 0.020 1 1292 343 130 LYS HE2 H 2.946 0.020 1 1293 343 130 LYS HE3 H 2.946 0.020 1 1294 343 130 LYS HG2 H 1.555 0.020 2 1295 343 130 LYS HG3 H 1.395 0.020 2 1296 343 130 LYS C C 178.986 0.3 1 1297 343 130 LYS CA C 59.447 0.3 1 1298 343 130 LYS CB C 32.704 0.3 1 1299 343 130 LYS CD C 29.478 0.3 1 1300 343 130 LYS CE C 42.176 0.3 1 1301 343 130 LYS CG C 25.331 0.3 1 1302 343 130 LYS N N 117.951 0.3 1 1303 344 131 THR H H 7.924 0.020 1 1304 344 131 THR HA H 3.948 0.020 1 1305 344 131 THR HB H 4.044 0.020 1 1306 344 131 THR HG2 H 1.107 0.020 1 1307 344 131 THR C C 176.042 0.3 1 1308 344 131 THR CA C 65.751 0.3 1 1309 344 131 THR CB C 68.773 0.3 1 1310 344 131 THR CG2 C 21.726 0.3 1 1311 344 131 THR N N 114.663 0.3 1 1312 345 132 ALA H H 8.270 0.020 1 1313 345 132 ALA HA H 3.859 0.020 1 1314 345 132 ALA HB H 1.180 0.020 1 1315 345 132 ALA C C 179.668 0.3 1 1316 345 132 ALA CA C 54.901 0.3 1 1317 345 132 ALA CB C 18.294 0.3 1 1318 345 132 ALA N N 124.078 0.3 1 1319 346 133 LEU H H 7.895 0.020 1 1320 346 133 LEU HA H 4.092 0.020 1 1321 346 133 LEU HB2 H 1.798 0.020 2 1322 346 133 LEU HB3 H 1.553 0.020 2 1323 346 133 LEU HD1 H 0.869 0.020 1 1324 346 133 LEU HD2 H 0.830 0.020 1 1325 346 133 LEU HG H 1.745 0.020 1 1326 346 133 LEU C C 179.337 0.3 1 1327 346 133 LEU CA C 57.063 0.3 1 1328 346 133 LEU CB C 41.767 0.3 1 1329 346 133 LEU CD1 C 25.119 0.3 1 1330 346 133 LEU CD2 C 23.211 0.3 1 1331 346 133 LEU CG C 27.101 0.3 1 1332 346 133 LEU N N 117.515 0.3 1 1333 347 134 GLU H H 7.831 0.020 1 1334 347 134 GLU HA H 4.091 0.020 1 1335 347 134 GLU HB2 H 2.107 0.020 2 1336 347 134 GLU HB3 H 2.047 0.020 2 1337 347 134 GLU HG2 H 2.401 0.020 2 1338 347 134 GLU HG3 H 2.233 0.020 2 1339 347 134 GLU C C 178.069 0.3 1 1340 347 134 GLU CA C 58.226 0.3 1 1341 347 134 GLU CB C 29.770 0.3 1 1342 347 134 GLU CG C 36.516 0.3 1 1343 347 134 GLU N N 119.906 0.3 1 1344 348 135 ARG H H 7.848 0.020 1 1345 348 135 ARG HA H 4.225 0.020 1 1346 348 135 ARG HB2 H 1.811 0.020 2 1347 348 135 ARG HB3 H 1.906 0.020 2 1348 348 135 ARG HD2 H 3.174 0.020 1 1349 348 135 ARG HD3 H 3.174 0.020 1 1350 348 135 ARG HG2 H 1.665 0.020 1 1351 348 135 ARG HG3 H 1.665 0.020 1 1352 348 135 ARG C C 177.076 0.3 1 1353 348 135 ARG CA C 56.944 0.3 1 1354 348 135 ARG CB C 30.245 0.3 1 1355 348 135 ARG CD C 43.453 0.3 1 1356 348 135 ARG CG C 27.211 0.3 1 1357 348 135 ARG N N 118.961 0.3 1 1358 349 136 ARG H H 7.875 0.020 1 1359 349 136 ARG HA H 4.247 0.020 1 1360 349 136 ARG HB2 H 1.905 0.020 2 1361 349 136 ARG HB3 H 1.827 0.020 2 1362 349 136 ARG HD2 H 3.176 0.020 1 1363 349 136 ARG HD3 H 3.176 0.020 1 1364 349 136 ARG HG2 H 1.717 0.020 2 1365 349 136 ARG HG3 H 1.656 0.020 2 1366 349 136 ARG C C 177.269 0.3 1 1367 349 136 ARG CA C 57.130 0.3 1 1368 349 136 ARG CB C 30.668 0.3 1 1369 349 136 ARG CD C 43.513 0.3 1 1370 349 136 ARG CG C 27.213 0.3 1 1371 349 136 ARG N N 120.284 0.3 1 1372 350 137 GLY H H 8.197 0.020 1 1373 350 137 GLY HA2 H 3.926 0.020 1 1374 350 137 GLY HA3 H 3.926 0.020 1 1375 350 137 GLY C C 174.112 0.3 1 1376 350 137 GLY CA C 45.529 0.3 1 1377 350 137 GLY N N 108.853 0.3 1 1378 351 138 ALA H H 8.022 0.020 1 1379 351 138 ALA HA H 4.294 0.020 1 1380 351 138 ALA HB H 1.373 0.020 1 1381 351 138 ALA CA C 52.572 0.3 1 1382 351 138 ALA CB C 19.327 0.3 1 1383 351 138 ALA N N 123.674 0.3 1 1384 352 139 ALA H H 8.162 0.020 1 1385 352 139 ALA HA H 4.281 0.020 1 1386 352 139 ALA HB H 1.366 0.020 1 1387 352 139 ALA CA C 52.581 0.3 1 1388 352 139 ALA CB C 19.221 0.3 1 1389 352 139 ALA N N 123.032 0.3 1 1390 353 140 ALA H H 8.165 0.020 1 1391 353 140 ALA HA H 4.267 0.020 1 1392 353 140 ALA HB H 1.358 0.020 1 1393 353 140 ALA C C 177.577 0.3 1 1394 353 140 ALA CA C 52.539 0.3 1 1395 353 140 ALA CB C 19.209 0.3 1 1396 353 140 ALA N N 122.767 0.3 1 1397 354 141 SER H H 8.134 0.020 1 1398 354 141 SER HA H 4.399 0.020 1 1399 354 141 SER HB2 H 3.846 0.020 2 1400 354 141 SER HB3 H 3.831 0.020 2 1401 354 141 SER C C 173.188 0.3 1 1402 354 141 SER CA C 58.213 0.3 1 1403 354 141 SER CB C 64.146 0.3 1 1404 354 141 SER N N 115.090 0.3 1 1405 355 142 ALA H H 7.908 0.020 1 1406 355 142 ALA HA H 4.105 0.020 1 1407 355 142 ALA HB H 1.301 0.020 1 1408 355 142 ALA CA C 53.981 0.3 1 1409 355 142 ALA CB C 20.393 0.3 1 1410 355 142 ALA N N 131.013 0.3 1 stop_ save_