################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52979 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'POSH 315-380' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52979 1 2 '3D HNCO' . . . 52979 1 3 '3D HN(CO)CACB' . . . 52979 1 4 '3D HNCOCACB' . . . 52979 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52979 1 2 $software_2 . . 52979 1 3 $software_3 . . 52979 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.404 . . . . . . . . 313 MET HN . 52979 1 2 . 1 . 1 3 3 MET C C 13 175.796 . . . . . . . . 313 MET CO . 52979 1 3 . 1 . 1 3 3 MET CA C 13 55.586 . . . . . . . . 313 MET CA . 52979 1 4 . 1 . 1 3 3 MET CB C 13 32.796 . . . . . . . . 313 MET CB . 52979 1 5 . 1 . 1 3 3 MET N N 15 121.817 . . . . . . . . 313 MET N . 52979 1 6 . 1 . 1 4 4 TRP H H 1 8.249 . . . . . . . . 314 TRP HN . 52979 1 7 . 1 . 1 4 4 TRP C C 13 176.219 . . . . . . . . 314 TRP CO . 52979 1 8 . 1 . 1 4 4 TRP CA C 13 57.328 . . . . . . . . 314 TRP CA . 52979 1 9 . 1 . 1 4 4 TRP CB C 13 29.624 . . . . . . . . 314 TRP CB . 52979 1 10 . 1 . 1 4 4 TRP N N 15 122.693 . . . . . . . . 314 TRP N . 52979 1 11 . 1 . 1 5 5 SER H H 1 8.090 . . . . . . . . 315 SER HN . 52979 1 12 . 1 . 1 5 5 SER C C 13 174.377 . . . . . . . . 315 SER CO . 52979 1 13 . 1 . 1 5 5 SER CA C 13 58.124 . . . . . . . . 315 SER CA . 52979 1 14 . 1 . 1 5 5 SER CB C 13 64.034 . . . . . . . . 315 SER CB . 52979 1 15 . 1 . 1 5 5 SER N N 15 117.391 . . . . . . . . 315 SER N . 52979 1 16 . 1 . 1 6 6 GLN H H 1 8.299 . . . . . . . . 316 GLN HN . 52979 1 17 . 1 . 1 6 6 GLN C C 13 176.114 . . . . . . . . 316 GLN CO . 52979 1 18 . 1 . 1 6 6 GLN CA C 13 56.395 . . . . . . . . 316 GLN CA . 52979 1 19 . 1 . 1 6 6 GLN CB C 13 29.253 . . . . . . . . 316 GLN CB . 52979 1 20 . 1 . 1 6 6 GLN N N 15 122.313 . . . . . . . . 316 GLN N . 52979 1 21 . 1 . 1 7 7 ALA H H 1 8.266 . . . . . . . . 317 ALA HN . 52979 1 22 . 1 . 1 7 7 ALA C C 13 178.217 . . . . . . . . 317 ALA CO . 52979 1 23 . 1 . 1 7 7 ALA CA C 13 53.081 . . . . . . . . 317 ALA CA . 52979 1 24 . 1 . 1 7 7 ALA CB C 13 19.052 . . . . . . . . 317 ALA CB . 52979 1 25 . 1 . 1 7 7 ALA N N 15 124.361 . . . . . . . . 317 ALA N . 52979 1 26 . 1 . 1 8 8 SER H H 1 8.164 . . . . . . . . 318 SER HN . 52979 1 27 . 1 . 1 8 8 SER C C 13 174.961 . . . . . . . . 318 SER CO . 52979 1 28 . 1 . 1 8 8 SER CA C 13 58.823 . . . . . . . . 318 SER CA . 52979 1 29 . 1 . 1 8 8 SER CB C 13 63.647 . . . . . . . . 318 SER CB . 52979 1 30 . 1 . 1 8 8 SER N N 15 114.502 . . . . . . . . 318 SER N . 52979 1 31 . 1 . 1 9 9 GLN H H 1 8.283 . . . . . . . . 319 GLN HN . 52979 1 32 . 1 . 1 9 9 GLN C C 13 175.855 . . . . . . . . 319 GLN CO . 52979 1 33 . 1 . 1 9 9 GLN CA C 13 56.238 . . . . . . . . 319 GLN CA . 52979 1 34 . 1 . 1 9 9 GLN CB C 13 29.253 . . . . . . . . 319 GLN CB . 52979 1 35 . 1 . 1 9 9 GLN N N 15 121.550 . . . . . . . . 319 GLN N . 52979 1 36 . 1 . 1 10 10 ASN H H 1 8.322 . . . . . . . . 320 ASN HN . 52979 1 37 . 1 . 1 10 10 ASN C C 13 175.287 . . . . . . . . 320 ASN CO . 52979 1 38 . 1 . 1 10 10 ASN CA C 13 53.339 . . . . . . . . 320 ASN CA . 52979 1 39 . 1 . 1 10 10 ASN CB C 13 38.746 . . . . . . . . 320 ASN CB . 52979 1 40 . 1 . 1 10 10 ASN N N 15 119.155 . . . . . . . . 320 ASN N . 52979 1 41 . 1 . 1 11 11 ARG H H 1 8.224 . . . . . . . . 321 ARG HN . 52979 1 42 . 1 . 1 11 11 ARG C C 13 176.328 . . . . . . . . 321 ARG CO . 52979 1 43 . 1 . 1 11 11 ARG CA C 13 56.515 . . . . . . . . 321 ARG CA . 52979 1 44 . 1 . 1 11 11 ARG CB C 13 30.545 . . . . . . . . 321 ARG CB . 52979 1 45 . 1 . 1 11 11 ARG N N 15 121.258 . . . . . . . . 321 ARG N . 52979 1 46 . 1 . 1 12 12 HIS H H 1 8.464 . . . . . . . . 322 HIS HN . 52979 1 47 . 1 . 1 12 12 HIS C C 13 174.920 . . . . . . . . 322 HIS CO . 52979 1 48 . 1 . 1 12 12 HIS CA C 13 55.815 . . . . . . . . 322 HIS CA . 52979 1 49 . 1 . 1 12 12 HIS CB C 13 29.344 . . . . . . . . 322 HIS CB . 52979 1 50 . 1 . 1 12 12 HIS N N 15 119.396 . . . . . . . . 322 HIS N . 52979 1 51 . 1 . 1 13 13 SER H H 1 8.273 . . . . . . . . 323 SER HN . 52979 1 52 . 1 . 1 13 13 SER C C 13 174.559 . . . . . . . . 323 SER CO . 52979 1 53 . 1 . 1 13 13 SER CA C 13 58.713 . . . . . . . . 323 SER CA . 52979 1 54 . 1 . 1 13 13 SER CB C 13 63.805 . . . . . . . . 323 SER CB . 52979 1 55 . 1 . 1 13 13 SER N N 15 116.697 . . . . . . . . 323 SER N . 52979 1 56 . 1 . 1 14 14 MET H H 1 8.404 . . . . . . . . 324 MET HN . 52979 1 57 . 1 . 1 14 14 MET C C 13 176.080 . . . . . . . . 324 MET CO . 52979 1 58 . 1 . 1 14 14 MET CA C 13 55.572 . . . . . . . . 324 MET CA . 52979 1 59 . 1 . 1 14 14 MET CB C 13 32.837 . . . . . . . . 324 MET CB . 52979 1 60 . 1 . 1 14 14 MET N N 15 121.817 . . . . . . . . 324 MET N . 52979 1 61 . 1 . 1 15 15 GLU H H 1 8.304 . . . . . . . . 325 GLU HN . 52979 1 62 . 1 . 1 15 15 GLU C C 13 176.224 . . . . . . . . 325 GLU CO . 52979 1 63 . 1 . 1 15 15 GLU CA C 13 56.432 . . . . . . . . 325 GLU CA . 52979 1 64 . 1 . 1 15 15 GLU CB C 13 30.248 . . . . . . . . 325 GLU CB . 52979 1 65 . 1 . 1 15 15 GLU N N 15 121.933 . . . . . . . . 325 GLU N . 52979 1 66 . 1 . 1 16 16 ILE H H 1 8.155 . . . . . . . . 326 ILE HN . 52979 1 67 . 1 . 1 16 16 ILE C C 13 176.108 . . . . . . . . 326 ILE CO . 52979 1 68 . 1 . 1 16 16 ILE CA C 13 60.918 . . . . . . . . 326 ILE CA . 52979 1 69 . 1 . 1 16 16 ILE CB C 13 38.872 . . . . . . . . 326 ILE CB . 52979 1 70 . 1 . 1 16 16 ILE N N 15 121.864 . . . . . . . . 326 ILE N . 52979 1 71 . 1 . 1 17 17 SER H H 1 8.378 . . . . . . . . 327 SER HN . 52979 1 72 . 1 . 1 17 17 SER CA C 13 56.334 . . . . . . . . 327 SER CA . 52979 1 73 . 1 . 1 17 17 SER CB C 13 63.199 . . . . . . . . 327 SER CB . 52979 1 74 . 1 . 1 17 17 SER N N 15 121.570 . . . . . . . . 327 SER N . 52979 1 75 . 1 . 1 19 19 PRO C C 13 176.740 . . . . . . . . 329 PRO CO . 52979 1 76 . 1 . 1 19 19 PRO CA C 13 63.014 . . . . . . . . 329 PRO CA . 52979 1 77 . 1 . 1 19 19 PRO CB C 13 32.014 . . . . . . . . 329 PRO CB . 52979 1 78 . 1 . 1 20 20 VAL H H 1 8.166 . . . . . . . . 330 VAL HN . 52979 1 79 . 1 . 1 20 20 VAL C C 13 175.972 . . . . . . . . 330 VAL CO . 52979 1 80 . 1 . 1 20 20 VAL CA C 13 62.284 . . . . . . . . 330 VAL CA . 52979 1 81 . 1 . 1 20 20 VAL CB C 13 32.771 . . . . . . . . 330 VAL CB . 52979 1 82 . 1 . 1 20 20 VAL N N 15 120.588 . . . . . . . . 330 VAL N . 52979 1 83 . 1 . 1 21 21 LEU H H 1 8.320 . . . . . . . . 331 LEU HN . 52979 1 84 . 1 . 1 21 21 LEU C C 13 177.004 . . . . . . . . 331 LEU CO . 52979 1 85 . 1 . 1 21 21 LEU CA C 13 54.966 . . . . . . . . 331 LEU CA . 52979 1 86 . 1 . 1 21 21 LEU CB C 13 42.492 . . . . . . . . 331 LEU CB . 52979 1 87 . 1 . 1 21 21 LEU N N 15 126.701 . . . . . . . . 331 LEU N . 52979 1 88 . 1 . 1 22 22 ILE H H 1 8.204 . . . . . . . . 332 ILE HN . 52979 1 89 . 1 . 1 22 22 ILE C C 13 176.230 . . . . . . . . 332 ILE CO . 52979 1 90 . 1 . 1 22 22 ILE CA C 13 60.944 . . . . . . . . 332 ILE CA . 52979 1 91 . 1 . 1 22 22 ILE CB C 13 38.722 . . . . . . . . 332 ILE CB . 52979 1 92 . 1 . 1 22 22 ILE N N 15 122.873 . . . . . . . . 332 ILE N . 52979 1 93 . 1 . 1 23 23 SER H H 1 8.396 . . . . . . . . 333 SER HN . 52979 1 94 . 1 . 1 23 23 SER C C 13 174.675 . . . . . . . . 333 SER CO . 52979 1 95 . 1 . 1 23 23 SER CA C 13 58.168 . . . . . . . . 333 SER CA . 52979 1 96 . 1 . 1 23 23 SER CB C 13 63.924 . . . . . . . . 333 SER CB . 52979 1 97 . 1 . 1 23 23 SER N N 15 120.045 . . . . . . . . 333 SER N . 52979 1 98 . 1 . 1 24 24 SER H H 1 8.378 . . . . . . . . 334 SER HN . 52979 1 99 . 1 . 1 24 24 SER C C 13 174.555 . . . . . . . . 334 SER CO . 52979 1 100 . 1 . 1 24 24 SER CA C 13 58.451 . . . . . . . . 334 SER CA . 52979 1 101 . 1 . 1 24 24 SER CB C 13 63.859 . . . . . . . . 334 SER CB . 52979 1 102 . 1 . 1 24 24 SER N N 15 118.075 . . . . . . . . 334 SER N . 52979 1 103 . 1 . 1 25 25 SER H H 1 8.299 . . . . . . . . 335 SER HN . 52979 1 104 . 1 . 1 25 25 SER C C 13 173.864 . . . . . . . . 335 SER CO . 52979 1 105 . 1 . 1 25 25 SER CA C 13 58.407 . . . . . . . . 335 SER CA . 52979 1 106 . 1 . 1 25 25 SER CB C 13 63.795 . . . . . . . . 335 SER CB . 52979 1 107 . 1 . 1 25 25 SER N N 15 117.358 . . . . . . . . 335 SER N . 52979 1 108 . 1 . 1 26 26 ASN H H 1 8.332 . . . . . . . . 336 ASN HN . 52979 1 109 . 1 . 1 26 26 ASN CA C 13 51.445 . . . . . . . . 336 ASN CA . 52979 1 110 . 1 . 1 26 26 ASN CB C 13 38.893 . . . . . . . . 336 ASN CB . 52979 1 111 . 1 . 1 26 26 ASN N N 15 121.148 . . . . . . . . 336 ASN N . 52979 1 112 . 1 . 1 27 27 PRO C C 13 177.532 . . . . . . . . 337 PRO CO . 52979 1 113 . 1 . 1 27 27 PRO CA C 13 63.860 . . . . . . . . 337 PRO CA . 52979 1 114 . 1 . 1 27 27 PRO CB C 13 32.188 . . . . . . . . 337 PRO CB . 52979 1 115 . 1 . 1 28 28 THR H H 1 8.133 . . . . . . . . 338 THR HN . 52979 1 116 . 1 . 1 28 28 THR C C 13 174.701 . . . . . . . . 338 THR CO . 52979 1 117 . 1 . 1 28 28 THR CA C 13 62.310 . . . . . . . . 338 THR CA . 52979 1 118 . 1 . 1 28 28 THR CB C 13 69.642 . . . . . . . . 338 THR CB . 52979 1 119 . 1 . 1 28 28 THR N N 15 113.429 . . . . . . . . 338 THR N . 52979 1 120 . 1 . 1 29 29 ALA H H 1 8.093 . . . . . . . . 339 ALA HN . 52979 1 121 . 1 . 1 29 29 ALA C C 13 177.839 . . . . . . . . 339 ALA CO . 52979 1 122 . 1 . 1 29 29 ALA CA C 13 52.973 . . . . . . . . 339 ALA CA . 52979 1 123 . 1 . 1 29 29 ALA CB C 13 19.102 . . . . . . . . 339 ALA CB . 52979 1 124 . 1 . 1 29 29 ALA N N 15 125.980 . . . . . . . . 339 ALA N . 52979 1 125 . 1 . 1 30 30 ALA H H 1 8.151 . . . . . . . . 340 ALA HN . 52979 1 126 . 1 . 1 30 30 ALA C C 13 177.905 . . . . . . . . 340 ALA CO . 52979 1 127 . 1 . 1 30 30 ALA CA C 13 52.839 . . . . . . . . 340 ALA CA . 52979 1 128 . 1 . 1 30 30 ALA CB C 13 19.081 . . . . . . . . 340 ALA CB . 52979 1 129 . 1 . 1 30 30 ALA N N 15 122.639 . . . . . . . . 340 ALA N . 52979 1 130 . 1 . 1 31 31 ALA H H 1 8.108 . . . . . . . . 341 ALA HN . 52979 1 131 . 1 . 1 31 31 ALA C C 13 177.996 . . . . . . . . 341 ALA CO . 52979 1 132 . 1 . 1 31 31 ALA CA C 13 52.779 . . . . . . . . 341 ALA CA . 52979 1 133 . 1 . 1 31 31 ALA CB C 13 19.124 . . . . . . . . 341 ALA CB . 52979 1 134 . 1 . 1 31 31 ALA N N 15 122.677 . . . . . . . . 341 ALA N . 52979 1 135 . 1 . 1 32 32 ARG H H 1 8.160 . . . . . . . . 342 ARG HN . 52979 1 136 . 1 . 1 32 32 ARG C C 13 176.709 . . . . . . . . 342 ARG CO . 52979 1 137 . 1 . 1 32 32 ARG CA C 13 56.242 . . . . . . . . 342 ARG CA . 52979 1 138 . 1 . 1 32 32 ARG CB C 13 30.573 . . . . . . . . 342 ARG CB . 52979 1 139 . 1 . 1 32 32 ARG N N 15 120.013 . . . . . . . . 342 ARG N . 52979 1 140 . 1 . 1 33 33 ILE H H 1 8.124 . . . . . . . . 343 ILE HN . 52979 1 141 . 1 . 1 33 33 ILE C C 13 176.783 . . . . . . . . 343 ILE CO . 52979 1 142 . 1 . 1 33 33 ILE CA C 13 61.796 . . . . . . . . 343 ILE CA . 52979 1 143 . 1 . 1 33 33 ILE CB C 13 38.362 . . . . . . . . 343 ILE CB . 52979 1 144 . 1 . 1 33 33 ILE N N 15 121.703 . . . . . . . . 343 ILE N . 52979 1 145 . 1 . 1 34 34 SER H H 1 8.313 . . . . . . . . 344 SER HN . 52979 1 146 . 1 . 1 34 34 SER C C 13 175.001 . . . . . . . . 344 SER CO . 52979 1 147 . 1 . 1 34 34 SER CA C 13 58.894 . . . . . . . . 344 SER CA . 52979 1 148 . 1 . 1 34 34 SER CB C 13 63.725 . . . . . . . . 344 SER CB . 52979 1 149 . 1 . 1 34 34 SER N N 15 118.926 . . . . . . . . 344 SER N . 52979 1 150 . 1 . 1 35 35 GLU H H 1 8.425 . . . . . . . . 345 GLU HN . 52979 1 151 . 1 . 1 35 35 GLU C C 13 176.909 . . . . . . . . 345 GLU CO . 52979 1 152 . 1 . 1 35 35 GLU CA C 13 57.137 . . . . . . . . 345 GLU CA . 52979 1 153 . 1 . 1 35 35 GLU CB C 13 30.069 . . . . . . . . 345 GLU CB . 52979 1 154 . 1 . 1 35 35 GLU N N 15 123.027 . . . . . . . . 345 GLU N . 52979 1 155 . 1 . 1 36 36 LEU H H 1 8.171 . . . . . . . . 346 LEU HN . 52979 1 156 . 1 . 1 36 36 LEU C C 13 177.795 . . . . . . . . 346 LEU CO . 52979 1 157 . 1 . 1 36 36 LEU CA C 13 55.524 . . . . . . . . 346 LEU CA . 52979 1 158 . 1 . 1 36 36 LEU CB C 13 42.189 . . . . . . . . 346 LEU CB . 52979 1 159 . 1 . 1 36 36 LEU N N 15 121.816 . . . . . . . . 346 LEU N . 52979 1 160 . 1 . 1 37 37 SER H H 1 8.175 . . . . . . . . 347 SER HN . 52979 1 161 . 1 . 1 37 37 SER C C 13 175.229 . . . . . . . . 347 SER CO . 52979 1 162 . 1 . 1 37 37 SER CA C 13 58.910 . . . . . . . . 347 SER CA . 52979 1 163 . 1 . 1 37 37 SER CB C 13 63.872 . . . . . . . . 347 SER CB . 52979 1 164 . 1 . 1 37 37 SER N N 15 115.829 . . . . . . . . 347 SER N . 52979 1 165 . 1 . 1 38 38 GLY H H 1 8.339 . . . . . . . . 348 GLY HN . 52979 1 166 . 1 . 1 38 38 GLY C C 13 174.337 . . . . . . . . 348 GLY CO . 52979 1 167 . 1 . 1 38 38 GLY CA C 13 45.550 . . . . . . . . 348 GLY CA . 52979 1 168 . 1 . 1 38 38 GLY N N 15 110.506 . . . . . . . . 348 GLY N . 52979 1 169 . 1 . 1 39 39 LEU H H 1 8.013 . . . . . . . . 349 LEU HN . 52979 1 170 . 1 . 1 39 39 LEU C C 13 176.959 . . . . . . . . 349 LEU CO . 52979 1 171 . 1 . 1 39 39 LEU CA C 13 55.296 . . . . . . . . 349 LEU CA . 52979 1 172 . 1 . 1 39 39 LEU CB C 13 42.530 . . . . . . . . 349 LEU CB . 52979 1 173 . 1 . 1 39 39 LEU N N 15 121.301 . . . . . . . . 349 LEU N . 52979 1 174 . 1 . 1 40 40 SER H H 1 8.326 . . . . . . . . 350 SER HN . 52979 1 175 . 1 . 1 40 40 SER C C 13 174.606 . . . . . . . . 350 SER CO . 52979 1 176 . 1 . 1 40 40 SER CA C 13 58.451 . . . . . . . . 350 SER CA . 52979 1 177 . 1 . 1 40 40 SER CB C 13 63.772 . . . . . . . . 350 SER CB . 52979 1 178 . 1 . 1 40 40 SER N N 15 116.199 . . . . . . . . 350 SER N . 52979 1 179 . 1 . 1 41 41 CYS H H 1 8.327 . . . . . . . . 351 CYS HN . 52979 1 180 . 1 . 1 41 41 CYS C C 13 174.466 . . . . . . . . 351 CYS CO . 52979 1 181 . 1 . 1 41 41 CYS CA C 13 58.381 . . . . . . . . 351 CYS CA . 52979 1 182 . 1 . 1 41 41 CYS CB C 13 28.186 . . . . . . . . 351 CYS CB . 52979 1 183 . 1 . 1 41 41 CYS N N 15 120.746 . . . . . . . . 351 CYS N . 52979 1 184 . 1 . 1 42 42 SER H H 1 8.345 . . . . . . . . 352 SER HN . 52979 1 185 . 1 . 1 42 42 SER C C 13 173.698 . . . . . . . . 352 SER CO . 52979 1 186 . 1 . 1 42 42 SER CA C 13 58.238 . . . . . . . . 352 SER CA . 52979 1 187 . 1 . 1 42 42 SER CB C 13 63.896 . . . . . . . . 352 SER CB . 52979 1 188 . 1 . 1 42 42 SER N N 15 118.146 . . . . . . . . 352 SER N . 52979 1 189 . 1 . 1 43 43 ALA H H 1 8.237 . . . . . . . . 353 ALA HN . 52979 1 190 . 1 . 1 43 43 ALA CA C 13 50.731 . . . . . . . . 353 ALA CA . 52979 1 191 . 1 . 1 43 43 ALA CB C 13 18.332 . . . . . . . . 353 ALA CB . 52979 1 192 . 1 . 1 43 43 ALA N N 15 126.982 . . . . . . . . 353 ALA N . 52979 1 193 . 1 . 1 44 44 PRO C C 13 177.130 . . . . . . . . 354 PRO CO . 52979 1 194 . 1 . 1 44 44 PRO CA C 13 63.451 . . . . . . . . 354 PRO CA . 52979 1 195 . 1 . 1 44 44 PRO CB C 13 32.085 . . . . . . . . 354 PRO CB . 52979 1 196 . 1 . 1 45 45 SER H H 1 8.345 . . . . . . . . 355 SER HN . 52979 1 197 . 1 . 1 45 45 SER C C 13 174.731 . . . . . . . . 355 SER CO . 52979 1 198 . 1 . 1 45 45 SER CA C 13 58.491 . . . . . . . . 355 SER CA . 52979 1 199 . 1 . 1 45 45 SER CB C 13 63.745 . . . . . . . . 355 SER CB . 52979 1 200 . 1 . 1 45 45 SER N N 15 115.444 . . . . . . . . 355 SER N . 52979 1 201 . 1 . 1 46 46 GLN H H 1 8.376 . . . . . . . . 356 GLN HN . 52979 1 202 . 1 . 1 46 46 GLN C C 13 175.740 . . . . . . . . 356 GLN CO . 52979 1 203 . 1 . 1 46 46 GLN CA C 13 55.732 . . . . . . . . 356 GLN CA . 52979 1 204 . 1 . 1 46 46 GLN CB C 13 29.609 . . . . . . . . 356 GLN CB . 52979 1 205 . 1 . 1 46 46 GLN N N 15 122.082 . . . . . . . . 356 GLN N . 52979 1 206 . 1 . 1 47 47 VAL H H 1 8.038 . . . . . . . . 357 VAL HN . 52979 1 207 . 1 . 1 47 47 VAL C C 13 175.742 . . . . . . . . 357 VAL CO . 52979 1 208 . 1 . 1 47 47 VAL CA C 13 62.439 . . . . . . . . 357 VAL CA . 52979 1 209 . 1 . 1 47 47 VAL CB C 13 32.774 . . . . . . . . 357 VAL CB . 52979 1 210 . 1 . 1 47 47 VAL N N 15 120.800 . . . . . . . . 357 VAL N . 52979 1 211 . 1 . 1 48 48 HIS H H 1 8.576 . . . . . . . . 358 HIS HN . 52979 1 212 . 1 . 1 48 48 HIS C C 13 174.319 . . . . . . . . 358 HIS CO . 52979 1 213 . 1 . 1 48 48 HIS CA C 13 55.307 . . . . . . . . 358 HIS CA . 52979 1 214 . 1 . 1 48 48 HIS CB C 13 29.641 . . . . . . . . 358 HIS CB . 52979 1 215 . 1 . 1 48 48 HIS N N 15 123.156 . . . . . . . . 358 HIS N . 52979 1 216 . 1 . 1 49 49 ILE H H 1 8.241 . . . . . . . . 359 ILE HN . 52979 1 217 . 1 . 1 49 49 ILE C C 13 176.102 . . . . . . . . 359 ILE CO . 52979 1 218 . 1 . 1 49 49 ILE CA C 13 60.989 . . . . . . . . 359 ILE CA . 52979 1 219 . 1 . 1 49 49 ILE CB C 13 38.951 . . . . . . . . 359 ILE CB . 52979 1 220 . 1 . 1 49 49 ILE N N 15 123.474 . . . . . . . . 359 ILE N . 52979 1 221 . 1 . 1 50 50 SER H H 1 8.542 . . . . . . . . 360 SER HN . 52979 1 222 . 1 . 1 50 50 SER C C 13 175.129 . . . . . . . . 360 SER CO . 52979 1 223 . 1 . 1 50 50 SER CA C 13 58.135 . . . . . . . . 360 SER CA . 52979 1 224 . 1 . 1 50 50 SER CB C 13 64.006 . . . . . . . . 360 SER CB . 52979 1 225 . 1 . 1 50 50 SER N N 15 120.333 . . . . . . . . 360 SER N . 52979 1 226 . 1 . 1 51 51 THR H H 1 8.365 . . . . . . . . 361 THR HN . 52979 1 227 . 1 . 1 51 51 THR C C 13 175.025 . . . . . . . . 361 THR CO . 52979 1 228 . 1 . 1 51 51 THR CA C 13 62.076 . . . . . . . . 361 THR CA . 52979 1 229 . 1 . 1 51 51 THR CB C 13 69.534 . . . . . . . . 361 THR CB . 52979 1 230 . 1 . 1 51 51 THR N N 15 116.060 . . . . . . . . 361 THR N . 52979 1 231 . 1 . 1 52 52 THR H H 1 8.099 . . . . . . . . 362 THR HN . 52979 1 232 . 1 . 1 52 52 THR C C 13 175.120 . . . . . . . . 362 THR CO . 52979 1 233 . 1 . 1 52 52 THR CA C 13 62.198 . . . . . . . . 362 THR CA . 52979 1 234 . 1 . 1 52 52 THR CB C 13 69.747 . . . . . . . . 362 THR CB . 52979 1 235 . 1 . 1 52 52 THR N N 15 115.240 . . . . . . . . 362 THR N . 52979 1 236 . 1 . 1 53 53 GLY H H 1 8.345 . . . . . . . . 363 GLY HN . 52979 1 237 . 1 . 1 53 53 GLY C C 13 173.729 . . . . . . . . 363 GLY CO . 52979 1 238 . 1 . 1 53 53 GLY CA C 13 45.280 . . . . . . . . 363 GLY CA . 52979 1 239 . 1 . 1 53 53 GLY N N 15 111.203 . . . . . . . . 363 GLY N . 52979 1 240 . 1 . 1 54 54 LEU H H 1 7.972 . . . . . . . . 364 LEU HN . 52979 1 241 . 1 . 1 54 54 LEU C C 13 177.005 . . . . . . . . 364 LEU CO . 52979 1 242 . 1 . 1 54 54 LEU CA C 13 55.139 . . . . . . . . 364 LEU CA . 52979 1 243 . 1 . 1 54 54 LEU CB C 13 42.492 . . . . . . . . 364 LEU CB . 52979 1 244 . 1 . 1 54 54 LEU N N 15 121.675 . . . . . . . . 364 LEU N . 52979 1 245 . 1 . 1 55 55 ILE H H 1 8.217 . . . . . . . . 365 ILE HN . 52979 1 246 . 1 . 1 55 55 ILE C C 13 176.117 . . . . . . . . 365 ILE CO . 52979 1 247 . 1 . 1 55 55 ILE CA C 13 60.892 . . . . . . . . 365 ILE CA . 52979 1 248 . 1 . 1 55 55 ILE CB C 13 38.475 . . . . . . . . 365 ILE CB . 52979 1 249 . 1 . 1 55 55 ILE N N 15 123.189 . . . . . . . . 365 ILE N . 52979 1 250 . 1 . 1 56 56 VAL H H 1 8.320 . . . . . . . . 366 VAL HN . 52979 1 251 . 1 . 1 56 56 VAL C C 13 175.952 . . . . . . . . 366 VAL CO . 52979 1 252 . 1 . 1 56 56 VAL CA C 13 61.973 . . . . . . . . 366 VAL CA . 52979 1 253 . 1 . 1 56 56 VAL CB C 13 32.945 . . . . . . . . 366 VAL CB . 52979 1 254 . 1 . 1 56 56 VAL N N 15 125.894 . . . . . . . . 366 VAL N . 52979 1 255 . 1 . 1 57 57 THR H H 1 8.328 . . . . . . . . 367 THR HN . 52979 1 256 . 1 . 1 57 57 THR CA C 13 59.675 . . . . . . . . 367 THR CA . 52979 1 257 . 1 . 1 57 57 THR CB C 13 69.682 . . . . . . . . 367 THR CB . 52979 1 258 . 1 . 1 57 57 THR N N 15 121.980 . . . . . . . . 367 THR N . 52979 1 259 . 1 . 1 60 60 PRO C C 13 177.018 . . . . . . . . 370 PRO CO . 52979 1 260 . 1 . 1 60 60 PRO CA C 13 63.032 . . . . . . . . 370 PRO CA . 52979 1 261 . 1 . 1 60 60 PRO CB C 13 32.060 . . . . . . . . 370 PRO CB . 52979 1 262 . 1 . 1 61 61 SER H H 1 8.373 . . . . . . . . 371 SER HN . 52979 1 263 . 1 . 1 61 61 SER C C 13 174.281 . . . . . . . . 371 SER CO . 52979 1 264 . 1 . 1 61 61 SER CA C 13 58.265 . . . . . . . . 371 SER CA . 52979 1 265 . 1 . 1 61 61 SER CB C 13 63.907 . . . . . . . . 371 SER CB . 52979 1 266 . 1 . 1 61 61 SER N N 15 116.005 . . . . . . . . 371 SER N . 52979 1 267 . 1 . 1 62 62 SER H H 1 8.271 . . . . . . . . 372 SER HN . 52979 1 268 . 1 . 1 62 62 SER CA C 13 56.363 . . . . . . . . 372 SER CA . 52979 1 269 . 1 . 1 62 62 SER CB C 13 63.418 . . . . . . . . 372 SER CB . 52979 1 270 . 1 . 1 62 62 SER N N 15 118.648 . . . . . . . . 372 SER N . 52979 1 271 . 1 . 1 63 63 PRO C C 13 176.881 . . . . . . . . 373 PRO CO . 52979 1 272 . 1 . 1 63 63 PRO CA C 13 63.279 . . . . . . . . 373 PRO CA . 52979 1 273 . 1 . 1 63 63 PRO CB C 13 32.140 . . . . . . . . 373 PRO CB . 52979 1 274 . 1 . 1 64 64 VAL H H 1 8.257 . . . . . . . . 374 VAL HN . 52979 1 275 . 1 . 1 64 64 VAL C C 13 176.633 . . . . . . . . 374 VAL CO . 52979 1 276 . 1 . 1 64 64 VAL CA C 13 62.437 . . . . . . . . 374 VAL CA . 52979 1 277 . 1 . 1 64 64 VAL CB C 13 32.740 . . . . . . . . 374 VAL CB . 52979 1 278 . 1 . 1 64 64 VAL N N 15 120.405 . . . . . . . . 374 VAL N . 52979 1 279 . 1 . 1 65 65 THR H H 1 8.280 . . . . . . . . 375 THR HN . 52979 1 280 . 1 . 1 65 65 THR C C 13 174.576 . . . . . . . . 375 THR CO . 52979 1 281 . 1 . 1 65 65 THR CA C 13 61.521 . . . . . . . . 375 THR CA . 52979 1 282 . 1 . 1 65 65 THR CB C 13 69.861 . . . . . . . . 375 THR CB . 52979 1 283 . 1 . 1 65 65 THR N N 15 117.949 . . . . . . . . 375 THR N . 52979 1 284 . 1 . 1 66 66 THR H H 1 8.141 . . . . . . . . 376 THR HN . 52979 1 285 . 1 . 1 66 66 THR C C 13 174.613 . . . . . . . . 376 THR CO . 52979 1 286 . 1 . 1 66 66 THR CA C 13 61.610 . . . . . . . . 376 THR CA . 52979 1 287 . 1 . 1 66 66 THR CB C 13 69.953 . . . . . . . . 376 THR CB . 52979 1 288 . 1 . 1 66 66 THR N N 15 115.954 . . . . . . . . 376 THR N . 52979 1 289 . 1 . 1 67 67 GLY H H 1 8.241 . . . . . . . . 377 GLY HN . 52979 1 290 . 1 . 1 67 67 GLY CA C 13 44.584 . . . . . . . . 377 GLY CA . 52979 1 291 . 1 . 1 67 67 GLY N N 15 111.414 . . . . . . . . 377 GLY N . 52979 1 292 . 1 . 1 68 68 PRO C C 13 177.709 . . . . . . . . 378 PRO CO . 52979 1 293 . 1 . 1 68 68 PRO CA C 13 63.130 . . . . . . . . 378 PRO CA . 52979 1 294 . 1 . 1 68 68 PRO CB C 13 32.277 . . . . . . . . 378 PRO CB . 52979 1 295 . 1 . 1 69 69 SER H H 1 8.323 . . . . . . . . 379 SER HN . 52979 1 296 . 1 . 1 69 69 SER C C 13 173.162 . . . . . . . . 379 SER CO . 52979 1 297 . 1 . 1 69 69 SER CA C 13 58.293 . . . . . . . . 379 SER CA . 52979 1 298 . 1 . 1 69 69 SER CB C 13 63.910 . . . . . . . . 379 SER CB . 52979 1 299 . 1 . 1 69 69 SER N N 15 116.344 . . . . . . . . 379 SER N . 52979 1 300 . 1 . 1 70 70 PHE H H 1 7.819 . . . . . . . . 380 PHE HN . 52979 1 301 . 1 . 1 70 70 PHE CA C 13 59.054 . . . . . . . . 380 PHE CA . 52979 1 302 . 1 . 1 70 70 PHE CB C 13 40.361 . . . . . . . . 380 PHE CB . 52979 1 303 . 1 . 1 70 70 PHE N N 15 126.520 . . . . . . . . 380 PHE N . 52979 1 stop_ save_