################################### # 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 50236 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'WT1(-KTS)-RNA complex protein component' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 50236 1 2 '3D HNCA' . . . 50236 1 3 '3D HN(CO)CA' . . . 50236 1 4 '3D HNCO' . . . 50236 1 5 '3D HNCACB' . . . 50236 1 6 '3D CBCA(CO)NH' . . . 50236 1 7 '3D HCCH-COSY' . . . 50236 1 8 '3D HCCH-TOCSY' . . . 50236 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 2 $software_2 . . 50236 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 1 1 GLU C C 13 176.3046 0.1 . . . . . . . 319 GLU C . 50236 1 2 . 1 . 1 2 2 LYS H H 1 8.2885 0.01 . . . . . . . 320 LYS H . 50236 1 3 . 1 . 1 2 2 LYS C C 13 175.7885 0.1 . . . . . . . 320 LYS C . 50236 1 4 . 1 . 1 2 2 LYS CA C 13 55.8690 0.1 . . . . . . . 320 LYS CA . 50236 1 5 . 1 . 1 2 2 LYS CB C 13 29.7790 0.1 . . . . . . . 320 LYS CB . 50236 1 6 . 1 . 1 2 2 LYS N N 15 122.6340 0.1 . . . . . . . 320 LYS N . 50236 1 7 . 1 . 1 3 3 ARG H H 1 8.1511 0.01 . . . . . . . 321 ARG H . 50236 1 8 . 1 . 1 3 3 ARG CA C 13 52.8454 0.1 . . . . . . . 321 ARG CA . 50236 1 9 . 1 . 1 3 3 ARG CB C 13 29.8498 0.1 . . . . . . . 321 ARG CB . 50236 1 10 . 1 . 1 3 3 ARG N N 15 121.8768 0.1 . . . . . . . 321 ARG N . 50236 1 11 . 1 . 1 4 4 PRO C C 13 175.9870 0.1 . . . . . . . 322 PRO C . 50236 1 12 . 1 . 1 4 4 PRO CA C 13 62.7653 0.1 . . . . . . . 322 PRO CA . 50236 1 13 . 1 . 1 4 4 PRO CB C 13 31.5005 0.1 . . . . . . . 322 PRO CB . 50236 1 14 . 1 . 1 5 5 PHE H H 1 7.4896 0.01 . . . . . . . 323 PHE H . 50236 1 15 . 1 . 1 5 5 PHE C C 13 174.7749 0.1 . . . . . . . 323 PHE C . 50236 1 16 . 1 . 1 5 5 PHE CA C 13 56.9768 0.1 . . . . . . . 323 PHE CA . 50236 1 17 . 1 . 1 5 5 PHE CB C 13 38.8685 0.1 . . . . . . . 323 PHE CB . 50236 1 18 . 1 . 1 5 5 PHE N N 15 116.8292 0.1 . . . . . . . 323 PHE N . 50236 1 19 . 1 . 1 6 6 MET H H 1 8.5422 0.01 . . . . . . . 324 MET H . 50236 1 20 . 1 . 1 6 6 MET C C 13 174.7958 0.1 . . . . . . . 324 MET C . 50236 1 21 . 1 . 1 6 6 MET CA C 13 53.8857 0.1 . . . . . . . 324 MET CA . 50236 1 22 . 1 . 1 6 6 MET CB C 13 33.9106 0.1 . . . . . . . 324 MET CB . 50236 1 23 . 1 . 1 6 6 MET N N 15 123.3545 0.1 . . . . . . . 324 MET N . 50236 1 24 . 1 . 1 7 7 CYS H H 1 8.6709 0.01 . . . . . . . 325 CYS H . 50236 1 25 . 1 . 1 7 7 CYS C C 13 175.5304 0.1 . . . . . . . 325 CYS C . 50236 1 26 . 1 . 1 7 7 CYS CA C 13 60.9018 0.1 . . . . . . . 325 CYS CA . 50236 1 27 . 1 . 1 7 7 CYS CB C 13 29.9167 0.1 . . . . . . . 325 CYS CB . 50236 1 28 . 1 . 1 7 7 CYS N N 15 126.7212 0.1 . . . . . . . 325 CYS N . 50236 1 29 . 1 . 1 8 8 ALA H H 1 8.6540 0.01 . . . . . . . 326 ALA H . 50236 1 30 . 1 . 1 8 8 ALA C C 13 177.6149 0.1 . . . . . . . 326 ALA C . 50236 1 31 . 1 . 1 8 8 ALA CA C 13 51.7384 0.1 . . . . . . . 326 ALA CA . 50236 1 32 . 1 . 1 8 8 ALA CB C 13 18.6164 0.1 . . . . . . . 326 ALA CB . 50236 1 33 . 1 . 1 8 8 ALA N N 15 131.1961 0.1 . . . . . . . 326 ALA N . 50236 1 34 . 1 . 1 9 9 TYR H H 1 9.2060 0.01 . . . . . . . 327 TYR H . 50236 1 35 . 1 . 1 9 9 TYR CA C 13 57.8034 0.1 . . . . . . . 327 TYR CA . 50236 1 36 . 1 . 1 9 9 TYR CB C 13 38.3176 0.1 . . . . . . . 327 TYR CB . 50236 1 37 . 1 . 1 9 9 TYR N N 15 128.1847 0.1 . . . . . . . 327 TYR N . 50236 1 38 . 1 . 1 10 10 PRO C C 13 177.6348 0.1 . . . . . . . 328 PRO C . 50236 1 39 . 1 . 1 10 10 PRO CA C 13 63.8053 0.1 . . . . . . . 328 PRO CA . 50236 1 40 . 1 . 1 11 11 GLY H H 1 8.6845 0.01 . . . . . . . 329 GLY H . 50236 1 41 . 1 . 1 11 11 GLY C C 13 173.7624 0.1 . . . . . . . 329 GLY C . 50236 1 42 . 1 . 1 11 11 GLY CA C 13 45.1656 0.1 . . . . . . . 329 GLY CA . 50236 1 43 . 1 . 1 11 11 GLY N N 15 112.2151 0.1 . . . . . . . 329 GLY N . 50236 1 44 . 1 . 1 12 12 CYS H H 1 8.0779 0.01 . . . . . . . 330 CYS H . 50236 1 45 . 1 . 1 12 12 CYS C C 13 175.3517 0.1 . . . . . . . 330 CYS C . 50236 1 46 . 1 . 1 12 12 CYS CA C 13 60.5100 0.1 . . . . . . . 330 CYS CA . 50236 1 47 . 1 . 1 12 12 CYS CB C 13 30.0544 0.1 . . . . . . . 330 CYS CB . 50236 1 48 . 1 . 1 12 12 CYS N N 15 123.5011 0.1 . . . . . . . 330 CYS N . 50236 1 49 . 1 . 1 13 13 ASN H H 1 8.6000 0.01 . . . . . . . 331 ASN H . 50236 1 50 . 1 . 1 13 13 ASN C C 13 175.1333 0.1 . . . . . . . 331 ASN C . 50236 1 51 . 1 . 1 13 13 ASN CA C 13 53.1796 0.1 . . . . . . . 331 ASN CA . 50236 1 52 . 1 . 1 13 13 ASN CB C 13 38.3176 0.1 . . . . . . . 331 ASN CB . 50236 1 53 . 1 . 1 13 13 ASN N N 15 117.1186 0.1 . . . . . . . 331 ASN N . 50236 1 54 . 1 . 1 14 14 LYS H H 1 8.0518 0.01 . . . . . . . 332 LYS H . 50236 1 55 . 1 . 1 14 14 LYS C C 13 179.3223 0.1 . . . . . . . 332 LYS C . 50236 1 56 . 1 . 1 14 14 LYS CA C 13 56.9486 0.1 . . . . . . . 332 LYS CA . 50236 1 57 . 1 . 1 14 14 LYS CB C 13 32.3957 0.1 . . . . . . . 332 LYS CB . 50236 1 58 . 1 . 1 14 14 LYS N N 15 121.1086 0.1 . . . . . . . 332 LYS N . 50236 1 59 . 1 . 1 15 15 ARG H H 1 7.6928 0.01 . . . . . . . 333 ARG H . 50236 1 60 . 1 . 1 15 15 ARG C C 13 174.4176 0.1 . . . . . . . 333 ARG C . 50236 1 61 . 1 . 1 15 15 ARG CA C 13 53.9354 0.1 . . . . . . . 333 ARG CA . 50236 1 62 . 1 . 1 15 15 ARG CB C 13 32.8088 0.1 . . . . . . . 333 ARG CB . 50236 1 63 . 1 . 1 15 15 ARG N N 15 118.6016 0.1 . . . . . . . 333 ARG N . 50236 1 64 . 1 . 1 16 16 TYR H H 1 8.5349 0.01 . . . . . . . 334 TYR H . 50236 1 65 . 1 . 1 16 16 TYR C C 13 175.0738 0.1 . . . . . . . 334 TYR C . 50236 1 66 . 1 . 1 16 16 TYR CA C 13 57.5801 0.1 . . . . . . . 334 TYR CA . 50236 1 67 . 1 . 1 16 16 TYR CB C 13 43.4821 0.1 . . . . . . . 334 TYR CB . 50236 1 68 . 1 . 1 16 16 TYR N N 15 117.1063 0.1 . . . . . . . 334 TYR N . 50236 1 69 . 1 . 1 17 17 PHE H H 1 9.6544 0.01 . . . . . . . 335 PHE H . 50236 1 70 . 1 . 1 17 17 PHE C C 13 175.0738 0.1 . . . . . . . 335 PHE C . 50236 1 71 . 1 . 1 17 17 PHE CA C 13 59.3589 0.1 . . . . . . . 335 PHE CA . 50236 1 72 . 1 . 1 17 17 PHE CB C 13 39.0750 0.1 . . . . . . . 335 PHE CB . 50236 1 73 . 1 . 1 17 17 PHE N N 15 117.6817 0.1 . . . . . . . 335 PHE N . 50236 1 74 . 1 . 1 18 18 LYS H H 1 6.9605 0.01 . . . . . . . 336 LYS H . 50236 1 75 . 1 . 1 18 18 LYS C C 13 175.8480 0.1 . . . . . . . 336 LYS C . 50236 1 76 . 1 . 1 18 18 LYS CA C 13 54.7538 0.1 . . . . . . . 336 LYS CA . 50236 1 77 . 1 . 1 18 18 LYS CB C 13 34.7369 0.1 . . . . . . . 336 LYS CB . 50236 1 78 . 1 . 1 18 18 LYS N N 15 115.9005 0.1 . . . . . . . 336 LYS N . 50236 1 79 . 1 . 1 19 19 LEU H H 1 8.1929 0.01 . . . . . . . 337 LEU H . 50236 1 80 . 1 . 1 19 19 LEU C C 13 183.0745 0.1 . . . . . . . 337 LEU C . 50236 1 81 . 1 . 1 19 19 LEU CA C 13 57.1918 0.1 . . . . . . . 337 LEU CA . 50236 1 82 . 1 . 1 19 19 LEU CB C 13 39.4882 0.1 . . . . . . . 337 LEU CB . 50236 1 83 . 1 . 1 19 19 LEU N N 15 127.1434 0.1 . . . . . . . 337 LEU N . 50236 1 84 . 1 . 1 20 20 SER H H 1 8.1720 0.01 . . . . . . . 338 SER H . 50236 1 85 . 1 . 1 20 20 SER C C 13 177.6149 0.1 . . . . . . . 338 SER C . 50236 1 86 . 1 . 1 20 20 SER CA C 13 60.0487 0.1 . . . . . . . 338 SER CA . 50236 1 87 . 1 . 1 20 20 SER N N 15 113.3341 0.1 . . . . . . . 338 SER N . 50236 1 88 . 1 . 1 21 21 HIS H H 1 6.4320 0.01 . . . . . . . 339 HIS H . 50236 1 89 . 1 . 1 21 21 HIS C C 13 178.3892 0.1 . . . . . . . 339 HIS C . 50236 1 90 . 1 . 1 21 21 HIS CA C 13 56.0097 0.1 . . . . . . . 339 HIS CA . 50236 1 91 . 1 . 1 21 21 HIS CB C 13 30.8807 0.1 . . . . . . . 339 HIS CB . 50236 1 92 . 1 . 1 21 21 HIS N N 15 121.3442 0.1 . . . . . . . 339 HIS N . 50236 1 93 . 1 . 1 22 22 LEU H H 1 7.1027 0.01 . . . . . . . 340 LEU H . 50236 1 94 . 1 . 1 22 22 LEU C C 13 178.5282 0.1 . . . . . . . 340 LEU C . 50236 1 95 . 1 . 1 22 22 LEU CA C 13 57.2051 0.1 . . . . . . . 340 LEU CA . 50236 1 96 . 1 . 1 22 22 LEU CB C 13 39.2816 0.1 . . . . . . . 340 LEU CB . 50236 1 97 . 1 . 1 22 22 LEU N N 15 121.1380 0.1 . . . . . . . 340 LEU N . 50236 1 98 . 1 . 1 23 23 GLN H H 1 8.6178 0.01 . . . . . . . 341 GLN H . 50236 1 99 . 1 . 1 23 23 GLN C C 13 178.8260 0.1 . . . . . . . 341 GLN C . 50236 1 100 . 1 . 1 23 23 GLN CA C 13 58.6891 0.1 . . . . . . . 341 GLN CA . 50236 1 101 . 1 . 1 23 23 GLN CB C 13 27.0935 0.1 . . . . . . . 341 GLN CB . 50236 1 102 . 1 . 1 23 23 GLN N N 15 119.3490 0.1 . . . . . . . 341 GLN N . 50236 1 103 . 1 . 1 24 24 MET H H 1 7.7473 0.01 . . . . . . . 342 MET H . 50236 1 104 . 1 . 1 24 24 MET C C 13 177.8330 0.1 . . . . . . . 342 MET C . 50236 1 105 . 1 . 1 24 24 MET CA C 13 57.4835 0.1 . . . . . . . 342 MET CA . 50236 1 106 . 1 . 1 24 24 MET CB C 13 28.1952 0.1 . . . . . . . 342 MET CB . 50236 1 107 . 1 . 1 24 24 MET N N 15 119.0155 0.1 . . . . . . . 342 MET N . 50236 1 108 . 1 . 1 25 25 HIS H H 1 8.3102 0.01 . . . . . . . 343 HIS H . 50236 1 109 . 1 . 1 25 25 HIS C C 13 177.4760 0.1 . . . . . . . 343 HIS C . 50236 1 110 . 1 . 1 25 25 HIS CA C 13 59.1245 0.1 . . . . . . . 343 HIS CA . 50236 1 111 . 1 . 1 25 25 HIS CB C 13 31.1562 0.1 . . . . . . . 343 HIS CB . 50236 1 112 . 1 . 1 25 25 HIS N N 15 119.2323 0.1 . . . . . . . 343 HIS N . 50236 1 113 . 1 . 1 26 26 SER H H 1 8.8327 0.01 . . . . . . . 344 SER H . 50236 1 114 . 1 . 1 26 26 SER C C 13 176.5429 0.1 . . . . . . . 344 SER C . 50236 1 115 . 1 . 1 26 26 SER CA C 13 62.0880 0.1 . . . . . . . 344 SER CA . 50236 1 116 . 1 . 1 26 26 SER CB C 13 63.5861 0.1 . . . . . . . 344 SER CB . 50236 1 117 . 1 . 1 26 26 SER N N 15 113.6954 0.1 . . . . . . . 344 SER N . 50236 1 118 . 1 . 1 27 27 ARG H H 1 7.2555 0.01 . . . . . . . 345 ARG H . 50236 1 119 . 1 . 1 27 27 ARG C C 13 178.7267 0.1 . . . . . . . 345 ARG C . 50236 1 120 . 1 . 1 27 27 ARG CA C 13 57.9085 0.1 . . . . . . . 345 ARG CA . 50236 1 121 . 1 . 1 27 27 ARG CB C 13 28.8150 0.1 . . . . . . . 345 ARG CB . 50236 1 122 . 1 . 1 27 27 ARG N N 15 119.7105 0.1 . . . . . . . 345 ARG N . 50236 1 123 . 1 . 1 28 28 LYS H H 1 7.9190 0.01 . . . . . . . 346 LYS H . 50236 1 124 . 1 . 1 28 28 LYS C C 13 178.4289 0.1 . . . . . . . 346 LYS C . 50236 1 125 . 1 . 1 28 28 LYS CA C 13 58.1089 0.1 . . . . . . . 346 LYS CA . 50236 1 126 . 1 . 1 28 28 LYS CB C 13 30.8807 0.1 . . . . . . . 346 LYS CB . 50236 1 127 . 1 . 1 28 28 LYS N N 15 119.5009 0.1 . . . . . . . 346 LYS N . 50236 1 128 . 1 . 1 29 29 HIS H H 1 7.1167 0.01 . . . . . . . 347 HIS H . 50236 1 129 . 1 . 1 29 29 HIS C C 13 176.1657 0.1 . . . . . . . 347 HIS C . 50236 1 130 . 1 . 1 29 29 HIS CA C 13 56.8351 0.1 . . . . . . . 347 HIS CA . 50236 1 131 . 1 . 1 29 29 HIS CB C 13 27.7132 0.1 . . . . . . . 347 HIS CB . 50236 1 132 . 1 . 1 29 29 HIS N N 15 114.9951 0.1 . . . . . . . 347 HIS N . 50236 1 133 . 1 . 1 30 30 THR H H 1 7.4905 0.01 . . . . . . . 348 THR H . 50236 1 134 . 1 . 1 30 30 THR C C 13 175.2723 0.1 . . . . . . . 348 THR C . 50236 1 135 . 1 . 1 30 30 THR CA C 13 61.4082 0.1 . . . . . . . 348 THR CA . 50236 1 136 . 1 . 1 30 30 THR CB C 13 69.2356 0.1 . . . . . . . 348 THR CB . 50236 1 137 . 1 . 1 30 30 THR N N 15 108.1829 0.1 . . . . . . . 348 THR N . 50236 1 138 . 1 . 1 31 31 GLY H H 1 7.7069 0.01 . . . . . . . 349 GLY H . 50236 1 139 . 1 . 1 31 31 GLY C C 13 174.2389 0.1 . . . . . . . 349 GLY C . 50236 1 140 . 1 . 1 31 31 GLY CA C 13 44.9510 0.1 . . . . . . . 349 GLY CA . 50236 1 141 . 1 . 1 31 31 GLY N N 15 108.7200 0.1 . . . . . . . 349 GLY N . 50236 1 142 . 1 . 1 32 32 GLU H H 1 7.5087 0.01 . . . . . . . 350 GLU H . 50236 1 143 . 1 . 1 32 32 GLU C C 13 175.7686 0.1 . . . . . . . 350 GLU C . 50236 1 144 . 1 . 1 32 32 GLU CA C 13 56.0653 0.1 . . . . . . . 350 GLU CA . 50236 1 145 . 1 . 1 32 32 GLU CB C 13 30.3299 0.1 . . . . . . . 350 GLU CB . 50236 1 146 . 1 . 1 32 32 GLU N N 15 120.0937 0.1 . . . . . . . 350 GLU N . 50236 1 147 . 1 . 1 33 33 LYS H H 1 8.4327 0.01 . . . . . . . 351 LYS H . 50236 1 148 . 1 . 1 33 33 LYS CA C 13 53.1502 0.1 . . . . . . . 351 LYS CA . 50236 1 149 . 1 . 1 33 33 LYS CB C 13 32.8777 0.1 . . . . . . . 351 LYS CB . 50236 1 150 . 1 . 1 33 33 LYS N N 15 123.3915 0.1 . . . . . . . 351 LYS N . 50236 1 151 . 1 . 1 34 34 PRO C C 13 176.1061 0.1 . . . . . . . 352 PRO C . 50236 1 152 . 1 . 1 34 34 PRO CA C 13 63.6264 0.1 . . . . . . . 352 PRO CA . 50236 1 153 . 1 . 1 34 34 PRO CB C 13 32.2579 0.1 . . . . . . . 352 PRO CB . 50236 1 154 . 1 . 1 35 35 TYR H H 1 7.8391 0.01 . . . . . . . 353 TYR H . 50236 1 155 . 1 . 1 35 35 TYR C C 13 174.3958 0.1 . . . . . . . 353 TYR C . 50236 1 156 . 1 . 1 35 35 TYR CA C 13 57.5086 0.1 . . . . . . . 353 TYR CA . 50236 1 157 . 1 . 1 35 35 TYR CB C 13 37.8356 0.1 . . . . . . . 353 TYR CB . 50236 1 158 . 1 . 1 35 35 TYR N N 15 117.0500 0.1 . . . . . . . 353 TYR N . 50236 1 159 . 1 . 1 36 36 GLN H H 1 8.7938 0.01 . . . . . . . 354 GLN H . 50236 1 160 . 1 . 1 36 36 GLN C C 13 174.3183 0.1 . . . . . . . 354 GLN C . 50236 1 161 . 1 . 1 36 36 GLN CA C 13 54.0637 0.1 . . . . . . . 354 GLN CA . 50236 1 162 . 1 . 1 36 36 GLN CB C 13 30.9496 0.1 . . . . . . . 354 GLN CB . 50236 1 163 . 1 . 1 36 36 GLN N N 15 124.1319 0.1 . . . . . . . 354 GLN N . 50236 1 164 . 1 . 1 37 37 CYS H H 1 8.8581 0.01 . . . . . . . 355 CYS H . 50236 1 165 . 1 . 1 37 37 CYS C C 13 175.0539 0.1 . . . . . . . 355 CYS C . 50236 1 166 . 1 . 1 37 37 CYS CA C 13 61.2675 0.1 . . . . . . . 355 CYS CA . 50236 1 167 . 1 . 1 37 37 CYS CB C 13 30.1921 0.1 . . . . . . . 355 CYS CB . 50236 1 168 . 1 . 1 37 37 CYS N N 15 128.1566 0.1 . . . . . . . 355 CYS N . 50236 1 169 . 1 . 1 38 38 ASP H H 1 8.4981 0.01 . . . . . . . 356 ASP H . 50236 1 170 . 1 . 1 38 38 ASP C C 13 176.4039 0.1 . . . . . . . 356 ASP C . 50236 1 171 . 1 . 1 38 38 ASP CA C 13 53.3612 0.1 . . . . . . . 356 ASP CA . 50236 1 172 . 1 . 1 38 38 ASP CB C 13 40.1079 0.1 . . . . . . . 356 ASP CB . 50236 1 173 . 1 . 1 38 38 ASP N N 15 127.2278 0.1 . . . . . . . 356 ASP N . 50236 1 174 . 1 . 1 39 39 PHE H H 1 8.9802 0.01 . . . . . . . 357 PHE H . 50236 1 175 . 1 . 1 39 39 PHE C C 13 176.3841 0.1 . . . . . . . 357 PHE C . 50236 1 176 . 1 . 1 39 39 PHE CA C 13 59.2991 0.1 . . . . . . . 357 PHE CA . 50236 1 177 . 1 . 1 39 39 PHE CB C 13 38.9373 0.1 . . . . . . . 357 PHE CB . 50236 1 178 . 1 . 1 39 39 PHE N N 15 125.9050 0.1 . . . . . . . 357 PHE N . 50236 1 179 . 1 . 1 40 40 LYS H H 1 7.7963 0.01 . . . . . . . 358 LYS H . 50236 1 180 . 1 . 1 40 40 LYS C C 13 176.3046 0.1 . . . . . . . 358 LYS C . 50236 1 181 . 1 . 1 40 40 LYS CA C 13 57.8745 0.1 . . . . . . . 358 LYS CA . 50236 1 182 . 1 . 1 40 40 LYS CB C 13 30.8807 0.1 . . . . . . . 358 LYS CB . 50236 1 183 . 1 . 1 40 40 LYS N N 15 126.8901 0.1 . . . . . . . 358 LYS N . 50236 1 184 . 1 . 1 41 41 ASP H H 1 8.6947 0.01 . . . . . . . 359 ASP H . 50236 1 185 . 1 . 1 41 41 ASP C C 13 174.6955 0.1 . . . . . . . 359 ASP C . 50236 1 186 . 1 . 1 41 41 ASP CA C 13 55.5412 0.1 . . . . . . . 359 ASP CA . 50236 1 187 . 1 . 1 41 41 ASP CB C 13 38.9373 0.1 . . . . . . . 359 ASP CB . 50236 1 188 . 1 . 1 41 41 ASP N N 15 119.4491 0.1 . . . . . . . 359 ASP N . 50236 1 189 . 1 . 1 42 42 CYS H H 1 8.2367 0.01 . . . . . . . 360 CYS H . 50236 1 190 . 1 . 1 42 42 CYS C C 13 175.3914 0.1 . . . . . . . 360 CYS C . 50236 1 191 . 1 . 1 42 42 CYS CA C 13 60.9240 0.1 . . . . . . . 360 CYS CA . 50236 1 192 . 1 . 1 42 42 CYS CB C 13 30.0544 0.1 . . . . . . . 360 CYS CB . 50236 1 193 . 1 . 1 42 42 CYS N N 15 122.6839 0.1 . . . . . . . 360 CYS N . 50236 1 194 . 1 . 1 43 43 GLU H H 1 8.4711 0.01 . . . . . . . 361 GLU H . 50236 1 195 . 1 . 1 43 43 GLU C C 13 176.3046 0.1 . . . . . . . 361 GLU C . 50236 1 196 . 1 . 1 43 43 GLU CA C 13 56.1133 0.1 . . . . . . . 361 GLU CA . 50236 1 197 . 1 . 1 43 43 GLU N N 15 116.5135 0.1 . . . . . . . 361 GLU N . 50236 1 198 . 1 . 1 44 44 ARG H H 1 8.2589 0.01 . . . . . . . 362 ARG H . 50236 1 199 . 1 . 1 44 44 ARG C C 13 174.8355 0.1 . . . . . . . 362 ARG C . 50236 1 200 . 1 . 1 44 44 ARG CA C 13 56.9923 0.1 . . . . . . . 362 ARG CA . 50236 1 201 . 1 . 1 44 44 ARG CB C 13 29.7101 0.1 . . . . . . . 362 ARG CB . 50236 1 202 . 1 . 1 44 44 ARG N N 15 122.3552 0.1 . . . . . . . 362 ARG N . 50236 1 203 . 1 . 1 45 45 ARG H H 1 7.6928 0.01 . . . . . . . 363 ARG H . 50236 1 204 . 1 . 1 45 45 ARG C C 13 175.1135 0.1 . . . . . . . 363 ARG C . 50236 1 205 . 1 . 1 45 45 ARG CA C 13 53.9354 0.1 . . . . . . . 363 ARG CA . 50236 1 206 . 1 . 1 45 45 ARG CB C 13 32.8088 0.1 . . . . . . . 363 ARG CB . 50236 1 207 . 1 . 1 45 45 ARG N N 15 118.6016 0.1 . . . . . . . 363 ARG N . 50236 1 208 . 1 . 1 46 46 PHE H H 1 8.8792 0.01 . . . . . . . 364 PHE H . 50236 1 209 . 1 . 1 46 46 PHE C C 13 175.6892 0.1 . . . . . . . 364 PHE C . 50236 1 210 . 1 . 1 46 46 PHE CA C 13 56.8138 0.1 . . . . . . . 364 PHE CA . 50236 1 211 . 1 . 1 46 46 PHE CB C 13 43.5509 0.1 . . . . . . . 364 PHE CB . 50236 1 212 . 1 . 1 46 46 PHE N N 15 115.5308 0.1 . . . . . . . 364 PHE N . 50236 1 213 . 1 . 1 47 47 SER H H 1 9.3529 0.01 . . . . . . . 365 SER H . 50236 1 214 . 1 . 1 47 47 SER C C 13 173.7029 0.1 . . . . . . . 365 SER C . 50236 1 215 . 1 . 1 47 47 SER CA C 13 60.5980 0.1 . . . . . . . 365 SER CA . 50236 1 216 . 1 . 1 47 47 SER CB C 13 63.8645 0.1 . . . . . . . 365 SER CB . 50236 1 217 . 1 . 1 47 47 SER N N 15 116.5479 0.1 . . . . . . . 365 SER N . 50236 1 218 . 1 . 1 48 48 ARG H H 1 7.2208 0.01 . . . . . . . 366 ARG H . 50236 1 219 . 1 . 1 48 48 ARG C C 13 175.7885 0.1 . . . . . . . 366 ARG C . 50236 1 220 . 1 . 1 48 48 ARG CA C 13 54.3244 0.1 . . . . . . . 366 ARG CA . 50236 1 221 . 1 . 1 48 48 ARG CB C 13 35.1500 0.1 . . . . . . . 366 ARG CB . 50236 1 222 . 1 . 1 48 48 ARG N N 15 116.4376 0.1 . . . . . . . 366 ARG N . 50236 1 223 . 1 . 1 49 49 SER H H 1 8.2768 0.01 . . . . . . . 367 SER H . 50236 1 224 . 1 . 1 49 49 SER C C 13 176.7613 0.1 . . . . . . . 367 SER C . 50236 1 225 . 1 . 1 49 49 SER CA C 13 60.4065 0.1 . . . . . . . 367 SER CA . 50236 1 226 . 1 . 1 49 49 SER CB C 13 62.5562 0.1 . . . . . . . 367 SER CB . 50236 1 227 . 1 . 1 49 49 SER N N 15 117.9213 0.1 . . . . . . . 367 SER N . 50236 1 228 . 1 . 1 50 50 ASP H H 1 8.9945 0.01 . . . . . . . 368 ASP H . 50236 1 229 . 1 . 1 50 50 ASP C C 13 179.5208 0.1 . . . . . . . 368 ASP C . 50236 1 230 . 1 . 1 50 50 ASP CA C 13 56.3458 0.1 . . . . . . . 368 ASP CA . 50236 1 231 . 1 . 1 50 50 ASP CB C 13 37.8356 0.1 . . . . . . . 368 ASP CB . 50236 1 232 . 1 . 1 50 50 ASP N N 15 121.1086 0.1 . . . . . . . 368 ASP N . 50236 1 233 . 1 . 1 51 51 GLN H H 1 7.1331 0.01 . . . . . . . 369 GLN H . 50236 1 234 . 1 . 1 51 51 GLN C C 13 178.5480 0.1 . . . . . . . 369 GLN C . 50236 1 235 . 1 . 1 51 51 GLN CA C 13 57.6608 0.1 . . . . . . . 369 GLN CA . 50236 1 236 . 1 . 1 51 51 GLN CB C 13 27.7821 0.1 . . . . . . . 369 GLN CB . 50236 1 237 . 1 . 1 51 51 GLN N N 15 123.7379 0.1 . . . . . . . 369 GLN N . 50236 1 238 . 1 . 1 52 52 LEU H H 1 7.1217 0.01 . . . . . . . 370 LEU H . 50236 1 239 . 1 . 1 52 52 LEU C C 13 177.8532 0.1 . . . . . . . 370 LEU C . 50236 1 240 . 1 . 1 52 52 LEU CA C 13 57.3658 0.1 . . . . . . . 370 LEU CA . 50236 1 241 . 1 . 1 52 52 LEU CB C 13 39.3505 0.1 . . . . . . . 370 LEU CB . 50236 1 242 . 1 . 1 52 52 LEU N N 15 121.4620 0.1 . . . . . . . 370 LEU N . 50236 1 243 . 1 . 1 53 53 LYS H H 1 8.3102 0.01 . . . . . . . 371 LYS H . 50236 1 244 . 1 . 1 53 53 LYS C C 13 179.3223 0.1 . . . . . . . 371 LYS C . 50236 1 245 . 1 . 1 53 53 LYS CA C 13 59.1245 0.1 . . . . . . . 371 LYS CA . 50236 1 246 . 1 . 1 53 53 LYS CB C 13 31.1562 0.1 . . . . . . . 371 LYS CB . 50236 1 247 . 1 . 1 53 53 LYS N N 15 119.2323 0.1 . . . . . . . 371 LYS N . 50236 1 248 . 1 . 1 54 54 ARG H H 1 7.7364 0.01 . . . . . . . 372 ARG H . 50236 1 249 . 1 . 1 54 54 ARG C C 13 178.6473 0.1 . . . . . . . 372 ARG C . 50236 1 250 . 1 . 1 54 54 ARG CA C 13 58.9063 0.1 . . . . . . . 372 ARG CA . 50236 1 251 . 1 . 1 54 54 ARG CB C 13 30.2610 0.1 . . . . . . . 372 ARG CB . 50236 1 252 . 1 . 1 54 54 ARG N N 15 118.2355 0.1 . . . . . . . 372 ARG N . 50236 1 253 . 1 . 1 55 55 HIS H H 1 7.5426 0.01 . . . . . . . 373 HIS H . 50236 1 254 . 1 . 1 55 55 HIS C C 13 177.3966 0.1 . . . . . . . 373 HIS C . 50236 1 255 . 1 . 1 55 55 HIS CA C 13 58.6699 0.1 . . . . . . . 373 HIS CA . 50236 1 256 . 1 . 1 55 55 HIS CB C 13 28.4018 0.1 . . . . . . . 373 HIS CB . 50236 1 257 . 1 . 1 55 55 HIS N N 15 119.8331 0.1 . . . . . . . 373 HIS N . 50236 1 258 . 1 . 1 56 56 GLN H H 1 8.6152 0.01 . . . . . . . 374 GLN H . 50236 1 259 . 1 . 1 56 56 GLN C C 13 178.0914 0.1 . . . . . . . 374 GLN C . 50236 1 260 . 1 . 1 56 56 GLN CA C 13 59.1901 0.1 . . . . . . . 374 GLN CA . 50236 1 261 . 1 . 1 56 56 GLN CB C 13 27.9198 0.1 . . . . . . . 374 GLN CB . 50236 1 262 . 1 . 1 56 56 GLN N N 15 116.3378 0.1 . . . . . . . 374 GLN N . 50236 1 263 . 1 . 1 57 57 ARG H H 1 7.2969 0.01 . . . . . . . 375 ARG H . 50236 1 264 . 1 . 1 57 57 ARG C C 13 178.8855 0.1 . . . . . . . 375 ARG C . 50236 1 265 . 1 . 1 57 57 ARG CA C 13 58.6447 0.1 . . . . . . . 375 ARG CA . 50236 1 266 . 1 . 1 57 57 ARG CB C 13 28.3329 0.1 . . . . . . . 375 ARG CB . 50236 1 267 . 1 . 1 57 57 ARG N N 15 117.0152 0.1 . . . . . . . 375 ARG N . 50236 1 268 . 1 . 1 58 58 ARG H H 1 7.7473 0.01 . . . . . . . 376 ARG H . 50236 1 269 . 1 . 1 58 58 ARG C C 13 179.8385 0.1 . . . . . . . 376 ARG C . 50236 1 270 . 1 . 1 58 58 ARG CA C 13 57.4835 0.1 . . . . . . . 376 ARG CA . 50236 1 271 . 1 . 1 58 58 ARG CB C 13 28.1952 0.1 . . . . . . . 376 ARG CB . 50236 1 272 . 1 . 1 58 58 ARG N N 15 119.0155 0.1 . . . . . . . 376 ARG N . 50236 1 273 . 1 . 1 59 59 HIS H H 1 7.1247 0.01 . . . . . . . 377 HIS H . 50236 1 274 . 1 . 1 59 59 HIS C C 13 177.1385 0.1 . . . . . . . 377 HIS C . 50236 1 275 . 1 . 1 59 59 HIS CA C 13 56.0131 0.1 . . . . . . . 377 HIS CA . 50236 1 276 . 1 . 1 59 59 HIS CB C 13 27.8509 0.1 . . . . . . . 377 HIS CB . 50236 1 277 . 1 . 1 59 59 HIS N N 15 115.2169 0.1 . . . . . . . 377 HIS N . 50236 1 278 . 1 . 1 60 60 THR H H 1 7.6473 0.01 . . . . . . . 378 THR H . 50236 1 279 . 1 . 1 60 60 THR C C 13 176.4635 0.1 . . . . . . . 378 THR C . 50236 1 280 . 1 . 1 60 60 THR CA C 13 61.6587 0.1 . . . . . . . 378 THR CA . 50236 1 281 . 1 . 1 60 60 THR CB C 13 69.5110 0.1 . . . . . . . 378 THR CB . 50236 1 282 . 1 . 1 60 60 THR N N 15 106.5150 0.1 . . . . . . . 378 THR N . 50236 1 283 . 1 . 1 61 61 GLY H H 1 8.0048 0.01 . . . . . . . 379 GLY H . 50236 1 284 . 1 . 1 61 61 GLY C C 13 174.3183 0.1 . . . . . . . 379 GLY C . 50236 1 285 . 1 . 1 61 61 GLY CA C 13 45.6665 0.1 . . . . . . . 379 GLY CA . 50236 1 286 . 1 . 1 61 61 GLY N N 15 110.5575 0.1 . . . . . . . 379 GLY N . 50236 1 287 . 1 . 1 62 62 VAL H H 1 7.3135 0.01 . . . . . . . 380 VAL H . 50236 1 288 . 1 . 1 62 62 VAL C C 13 175.3517 0.1 . . . . . . . 380 VAL C . 50236 1 289 . 1 . 1 62 62 VAL CA C 13 62.7747 0.1 . . . . . . . 380 VAL CA . 50236 1 290 . 1 . 1 62 62 VAL CB C 13 31.6382 0.1 . . . . . . . 380 VAL CB . 50236 1 291 . 1 . 1 62 62 VAL N N 15 119.2990 0.1 . . . . . . . 380 VAL N . 50236 1 292 . 1 . 1 63 63 LYS H H 1 8.2112 0.01 . . . . . . . 381 LYS H . 50236 1 293 . 1 . 1 63 63 LYS CA C 13 53.2802 0.1 . . . . . . . 381 LYS CA . 50236 1 294 . 1 . 1 63 63 LYS CB C 13 33.9106 0.1 . . . . . . . 381 LYS CB . 50236 1 295 . 1 . 1 63 63 LYS N N 15 126.1020 0.1 . . . . . . . 381 LYS N . 50236 1 296 . 1 . 1 64 64 PRO C C 13 176.2252 0.1 . . . . . . . 382 PRO C . 50236 1 297 . 1 . 1 64 64 PRO CA C 13 62.5531 0.1 . . . . . . . 382 PRO CA . 50236 1 298 . 1 . 1 65 65 PHE H H 1 7.9777 0.01 . . . . . . . 383 PHE H . 50236 1 299 . 1 . 1 65 65 PHE C C 13 174.1793 0.1 . . . . . . . 383 PHE C . 50236 1 300 . 1 . 1 65 65 PHE CA C 13 56.9361 0.1 . . . . . . . 383 PHE CA . 50236 1 301 . 1 . 1 65 65 PHE CB C 13 38.8685 0.1 . . . . . . . 383 PHE CB . 50236 1 302 . 1 . 1 65 65 PHE N N 15 117.6602 0.1 . . . . . . . 383 PHE N . 50236 1 303 . 1 . 1 66 66 GLN H H 1 8.7513 0.01 . . . . . . . 384 GLN H . 50236 1 304 . 1 . 1 66 66 GLN C C 13 174.3977 0.1 . . . . . . . 384 GLN C . 50236 1 305 . 1 . 1 66 66 GLN CA C 13 53.7432 0.1 . . . . . . . 384 GLN CA . 50236 1 306 . 1 . 1 66 66 GLN CB C 13 30.8119 0.1 . . . . . . . 384 GLN CB . 50236 1 307 . 1 . 1 66 66 GLN N N 15 124.6498 0.1 . . . . . . . 384 GLN N . 50236 1 308 . 1 . 1 67 67 CYS H H 1 9.2182 0.01 . . . . . . . 385 CYS H . 50236 1 309 . 1 . 1 67 67 CYS C C 13 177.0591 0.1 . . . . . . . 385 CYS C . 50236 1 310 . 1 . 1 67 67 CYS CA C 13 59.0161 0.1 . . . . . . . 385 CYS CA . 50236 1 311 . 1 . 1 67 67 CYS CB C 13 29.9856 0.1 . . . . . . . 385 CYS CB . 50236 1 312 . 1 . 1 67 67 CYS N N 15 127.8188 0.1 . . . . . . . 385 CYS N . 50236 1 313 . 1 . 1 68 68 LYS H H 1 9.1571 0.01 . . . . . . . 386 LYS H . 50236 1 314 . 1 . 1 68 68 LYS C C 13 176.9399 0.1 . . . . . . . 386 LYS C . 50236 1 315 . 1 . 1 68 68 LYS CA C 13 57.8034 0.1 . . . . . . . 386 LYS CA . 50236 1 316 . 1 . 1 68 68 LYS CB C 13 30.9496 0.1 . . . . . . . 386 LYS CB . 50236 1 317 . 1 . 1 68 68 LYS N N 15 130.4644 0.1 . . . . . . . 386 LYS N . 50236 1 318 . 1 . 1 69 69 THR H H 1 8.8919 0.01 . . . . . . . 387 THR H . 50236 1 319 . 1 . 1 69 69 THR C C 13 174.7958 0.1 . . . . . . . 387 THR C . 50236 1 320 . 1 . 1 69 69 THR CA C 13 65.2721 0.1 . . . . . . . 387 THR CA . 50236 1 321 . 1 . 1 69 69 THR CB C 13 68.4781 0.1 . . . . . . . 387 THR CB . 50236 1 322 . 1 . 1 69 69 THR N N 15 118.7397 0.1 . . . . . . . 387 THR N . 50236 1 323 . 1 . 1 70 70 CYS H H 1 8.1748 0.01 . . . . . . . 388 CYS H . 50236 1 324 . 1 . 1 70 70 CYS C C 13 174.6955 0.1 . . . . . . . 388 CYS C . 50236 1 325 . 1 . 1 70 70 CYS CA C 13 58.0863 0.1 . . . . . . . 388 CYS CA . 50236 1 326 . 1 . 1 70 70 CYS CB C 13 31.7071 0.1 . . . . . . . 388 CYS CB . 50236 1 327 . 1 . 1 70 70 CYS N N 15 119.2490 0.1 . . . . . . . 388 CYS N . 50236 1 328 . 1 . 1 71 71 GLN H H 1 7.6595 0.01 . . . . . . . 389 GLN H . 50236 1 329 . 1 . 1 71 71 GLN C C 13 175.2723 0.1 . . . . . . . 389 GLN C . 50236 1 330 . 1 . 1 71 71 GLN CA C 13 58.2241 0.1 . . . . . . . 389 GLN CA . 50236 1 331 . 1 . 1 71 71 GLN CB C 13 25.3720 0.1 . . . . . . . 389 GLN CB . 50236 1 332 . 1 . 1 71 71 GLN N N 15 113.0396 0.1 . . . . . . . 389 GLN N . 50236 1 333 . 1 . 1 72 72 ARG H H 1 7.9224 0.01 . . . . . . . 390 ARG H . 50236 1 334 . 1 . 1 72 72 ARG C C 13 174.3381 0.1 . . . . . . . 390 ARG C . 50236 1 335 . 1 . 1 72 72 ARG CA C 13 57.9887 0.1 . . . . . . . 390 ARG CA . 50236 1 336 . 1 . 1 72 72 ARG CB C 13 30.6742 0.1 . . . . . . . 390 ARG CB . 50236 1 337 . 1 . 1 72 72 ARG N N 15 120.0503 0.1 . . . . . . . 390 ARG N . 50236 1 338 . 1 . 1 73 73 LYS H H 1 7.0705 0.01 . . . . . . . 391 LYS H . 50236 1 339 . 1 . 1 73 73 LYS C C 13 174.6359 0.1 . . . . . . . 391 LYS C . 50236 1 340 . 1 . 1 73 73 LYS CA C 13 54.0342 0.1 . . . . . . . 391 LYS CA . 50236 1 341 . 1 . 1 73 73 LYS CB C 13 35.3566 0.1 . . . . . . . 391 LYS CB . 50236 1 342 . 1 . 1 73 73 LYS N N 15 115.3307 0.1 . . . . . . . 391 LYS N . 50236 1 343 . 1 . 1 74 74 PHE H H 1 8.7414 0.01 . . . . . . . 392 PHE H . 50236 1 344 . 1 . 1 74 74 PHE C C 13 175.3517 0.1 . . . . . . . 392 PHE C . 50236 1 345 . 1 . 1 74 74 PHE CA C 13 56.3995 0.1 . . . . . . . 392 PHE CA . 50236 1 346 . 1 . 1 74 74 PHE CB C 13 43.1378 0.1 . . . . . . . 392 PHE CB . 50236 1 347 . 1 . 1 74 74 PHE N N 15 114.7182 0.1 . . . . . . . 392 PHE N . 50236 1 348 . 1 . 1 75 75 SER H H 1 10.0604 0.01 . . . . . . . 393 SER H . 50236 1 349 . 1 . 1 75 75 SER C C 13 173.4249 0.1 . . . . . . . 393 SER C . 50236 1 350 . 1 . 1 75 75 SER CA C 13 59.8947 0.1 . . . . . . . 393 SER CA . 50236 1 351 . 1 . 1 75 75 SER CB C 13 63.9334 0.1 . . . . . . . 393 SER CB . 50236 1 352 . 1 . 1 75 75 SER N N 15 117.2815 0.1 . . . . . . . 393 SER N . 50236 1 353 . 1 . 1 76 76 ARG H H 1 6.6092 0.01 . . . . . . . 394 ARG H . 50236 1 354 . 1 . 1 76 76 ARG C C 13 176.1855 0.1 . . . . . . . 394 ARG C . 50236 1 355 . 1 . 1 76 76 ARG CA C 13 53.7328 0.1 . . . . . . . 394 ARG CA . 50236 1 356 . 1 . 1 76 76 ARG CB C 13 34.7369 0.1 . . . . . . . 394 ARG CB . 50236 1 357 . 1 . 1 76 76 ARG N N 15 114.9608 0.1 . . . . . . . 394 ARG N . 50236 1 358 . 1 . 1 77 77 SER H H 1 8.1869 0.01 . . . . . . . 395 SER H . 50236 1 359 . 1 . 1 77 77 SER C C 13 176.6023 0.1 . . . . . . . 395 SER C . 50236 1 360 . 1 . 1 77 77 SER CA C 13 59.7267 0.1 . . . . . . . 395 SER CA . 50236 1 361 . 1 . 1 77 77 SER CB C 13 61.8676 0.1 . . . . . . . 395 SER CB . 50236 1 362 . 1 . 1 77 77 SER N N 15 118.3205 0.1 . . . . . . . 395 SER N . 50236 1 363 . 1 . 1 78 78 ASP H H 1 8.7033 0.01 . . . . . . . 396 ASP H . 50236 1 364 . 1 . 1 78 78 ASP C C 13 178.6671 0.1 . . . . . . . 396 ASP C . 50236 1 365 . 1 . 1 78 78 ASP CA C 13 55.6902 0.1 . . . . . . . 396 ASP CA . 50236 1 366 . 1 . 1 78 78 ASP CB C 13 37.2158 0.1 . . . . . . . 396 ASP CB . 50236 1 367 . 1 . 1 78 78 ASP N N 15 121.9018 0.1 . . . . . . . 396 ASP N . 50236 1 368 . 1 . 1 79 79 HIS H H 1 6.9424 0.01 . . . . . . . 397 HIS H . 50236 1 369 . 1 . 1 79 79 HIS C C 13 179.2230 0.1 . . . . . . . 397 HIS C . 50236 1 370 . 1 . 1 79 79 HIS CA C 13 56.1454 0.1 . . . . . . . 397 HIS CA . 50236 1 371 . 1 . 1 79 79 HIS CB C 13 30.9496 0.1 . . . . . . . 397 HIS CB . 50236 1 372 . 1 . 1 79 79 HIS N N 15 119.9813 0.1 . . . . . . . 397 HIS N . 50236 1 373 . 1 . 1 80 80 LEU H H 1 6.8056 0.01 . . . . . . . 398 LEU H . 50236 1 374 . 1 . 1 80 80 LEU C C 13 177.5951 0.1 . . . . . . . 398 LEU C . 50236 1 375 . 1 . 1 80 80 LEU CA C 13 57.2273 0.1 . . . . . . . 398 LEU CA . 50236 1 376 . 1 . 1 80 80 LEU CB C 13 39.3505 0.1 . . . . . . . 398 LEU CB . 50236 1 377 . 1 . 1 80 80 LEU N N 15 119.3323 0.1 . . . . . . . 398 LEU N . 50236 1 378 . 1 . 1 81 81 LYS H H 1 8.1766 0.01 . . . . . . . 399 LYS H . 50236 1 379 . 1 . 1 81 81 LYS C C 13 179.4414 0.1 . . . . . . . 399 LYS C . 50236 1 380 . 1 . 1 81 81 LYS CA C 13 59.5689 0.1 . . . . . . . 399 LYS CA . 50236 1 381 . 1 . 1 81 81 LYS CB C 13 30.8119 0.1 . . . . . . . 399 LYS CB . 50236 1 382 . 1 . 1 81 81 LYS N N 15 123.1425 0.1 . . . . . . . 399 LYS N . 50236 1 383 . 1 . 1 82 82 THR H H 1 8.2086 0.01 . . . . . . . 400 THR H . 50236 1 384 . 1 . 1 82 82 THR C C 13 176.5230 0.1 . . . . . . . 400 THR C . 50236 1 385 . 1 . 1 82 82 THR CA C 13 66.2738 0.1 . . . . . . . 400 THR CA . 50236 1 386 . 1 . 1 82 82 THR CB C 13 68.4093 0.1 . . . . . . . 400 THR CB . 50236 1 387 . 1 . 1 82 82 THR N N 15 116.6355 0.1 . . . . . . . 400 THR N . 50236 1 388 . 1 . 1 83 83 HIS H H 1 7.7164 0.01 . . . . . . . 401 HIS H . 50236 1 389 . 1 . 1 83 83 HIS C C 13 178.5877 0.1 . . . . . . . 401 HIS C . 50236 1 390 . 1 . 1 83 83 HIS CA C 13 58.7500 0.1 . . . . . . . 401 HIS CA . 50236 1 391 . 1 . 1 83 83 HIS CB C 13 28.1264 0.1 . . . . . . . 401 HIS CB . 50236 1 392 . 1 . 1 83 83 HIS N N 15 120.0779 0.1 . . . . . . . 401 HIS N . 50236 1 393 . 1 . 1 84 84 THR H H 1 9.0422 0.01 . . . . . . . 402 THR H . 50236 1 394 . 1 . 1 84 84 THR C C 13 175.9274 0.1 . . . . . . . 402 THR C . 50236 1 395 . 1 . 1 84 84 THR CA C 13 66.7933 0.1 . . . . . . . 402 THR CA . 50236 1 396 . 1 . 1 84 84 THR CB C 13 68.8913 0.1 . . . . . . . 402 THR CB . 50236 1 397 . 1 . 1 84 84 THR N N 15 118.0652 0.1 . . . . . . . 402 THR N . 50236 1 398 . 1 . 1 85 85 ARG H H 1 7.2312 0.01 . . . . . . . 403 ARG H . 50236 1 399 . 1 . 1 85 85 ARG C C 13 179.6796 0.1 . . . . . . . 403 ARG C . 50236 1 400 . 1 . 1 85 85 ARG CA C 13 58.7101 0.1 . . . . . . . 403 ARG CA . 50236 1 401 . 1 . 1 85 85 ARG CB C 13 28.1264 0.1 . . . . . . . 403 ARG CB . 50236 1 402 . 1 . 1 85 85 ARG N N 15 118.3982 0.1 . . . . . . . 403 ARG N . 50236 1 403 . 1 . 1 86 86 THR H H 1 8.0518 0.01 . . . . . . . 404 THR H . 50236 1 404 . 1 . 1 86 86 THR C C 13 176.2252 0.1 . . . . . . . 404 THR C . 50236 1 405 . 1 . 1 86 86 THR CA C 13 64.3419 0.1 . . . . . . . 404 THR CA . 50236 1 406 . 1 . 1 86 86 THR CB C 13 68.6159 0.1 . . . . . . . 404 THR CB . 50236 1 407 . 1 . 1 86 86 THR N N 15 112.8041 0.1 . . . . . . . 404 THR N . 50236 1 408 . 1 . 1 87 87 HIS H H 1 7.2525 0.01 . . . . . . . 405 HIS H . 50236 1 409 . 1 . 1 87 87 HIS C C 13 177.2179 0.1 . . . . . . . 405 HIS C . 50236 1 410 . 1 . 1 87 87 HIS CA C 13 55.2435 0.1 . . . . . . . 405 HIS CA . 50236 1 411 . 1 . 1 87 87 HIS CB C 13 28.6772 0.1 . . . . . . . 405 HIS CB . 50236 1 412 . 1 . 1 87 87 HIS N N 15 117.3057 0.1 . . . . . . . 405 HIS N . 50236 1 413 . 1 . 1 88 88 THR H H 1 8.0142 0.01 . . . . . . . 406 THR H . 50236 1 414 . 1 . 1 88 88 THR C C 13 176.9796 0.1 . . . . . . . 406 THR C . 50236 1 415 . 1 . 1 88 88 THR CA C 13 62.1238 0.1 . . . . . . . 406 THR CA . 50236 1 416 . 1 . 1 88 88 THR CB C 13 70.1308 0.1 . . . . . . . 406 THR CB . 50236 1 417 . 1 . 1 88 88 THR N N 15 107.9567 0.1 . . . . . . . 406 THR N . 50236 1 418 . 1 . 1 89 89 GLY H H 1 8.0205 0.01 . . . . . . . 407 GLY H . 50236 1 419 . 1 . 1 89 89 GLY C C 13 174.3183 0.1 . . . . . . . 407 GLY C . 50236 1 420 . 1 . 1 89 89 GLY CA C 13 45.3803 0.1 . . . . . . . 407 GLY CA . 50236 1 421 . 1 . 1 89 89 GLY N N 15 109.5115 0.1 . . . . . . . 407 GLY N . 50236 1 422 . 1 . 1 90 90 GLU H H 1 7.4886 0.01 . . . . . . . 408 GLU H . 50236 1 423 . 1 . 1 90 90 GLU C C 13 176.3841 0.1 . . . . . . . 408 GLU C . 50236 1 424 . 1 . 1 90 90 GLU CA C 13 56.9859 0.1 . . . . . . . 408 GLU CA . 50236 1 425 . 1 . 1 90 90 GLU CB C 13 30.3299 0.1 . . . . . . . 408 GLU CB . 50236 1 426 . 1 . 1 90 90 GLU N N 15 120.5785 0.1 . . . . . . . 408 GLU N . 50236 1 427 . 1 . 1 91 91 LYS H H 1 8.3262 0.01 . . . . . . . 409 LYS H . 50236 1 428 . 1 . 1 91 91 LYS CA C 13 53.1859 0.1 . . . . . . . 409 LYS CA . 50236 1 429 . 1 . 1 91 91 LYS CB C 13 33.5663 0.1 . . . . . . . 409 LYS CB . 50236 1 430 . 1 . 1 91 91 LYS N N 15 123.2768 0.1 . . . . . . . 409 LYS N . 50236 1 431 . 1 . 1 92 92 PRO C C 13 176.7017 0.1 . . . . . . . 410 PRO C . 50236 1 432 . 1 . 1 92 92 PRO CA C 13 62.8035 0.1 . . . . . . . 410 PRO CA . 50236 1 433 . 1 . 1 93 93 PHE H H 1 7.9165 0.01 . . . . . . . 411 PHE H . 50236 1 434 . 1 . 1 93 93 PHE C C 13 175.1135 0.1 . . . . . . . 411 PHE C . 50236 1 435 . 1 . 1 93 93 PHE CA C 13 57.2581 0.1 . . . . . . . 411 PHE CA . 50236 1 436 . 1 . 1 93 93 PHE CB C 13 38.9373 0.1 . . . . . . . 411 PHE CB . 50236 1 437 . 1 . 1 93 93 PHE N N 15 118.0379 0.1 . . . . . . . 411 PHE N . 50236 1 438 . 1 . 1 94 94 SER H H 1 8.5905 0.01 . . . . . . . 412 SER H . 50236 1 439 . 1 . 1 94 94 SER C C 13 172.9286 0.1 . . . . . . . 412 SER C . 50236 1 440 . 1 . 1 94 94 SER CA C 13 57.1866 0.1 . . . . . . . 412 SER CA . 50236 1 441 . 1 . 1 94 94 SER CB C 13 65.0352 0.1 . . . . . . . 412 SER CB . 50236 1 442 . 1 . 1 94 94 SER N N 15 118.7696 0.1 . . . . . . . 412 SER N . 50236 1 443 . 1 . 1 95 95 CYS H H 1 8.4920 0.01 . . . . . . . 413 CYS H . 50236 1 444 . 1 . 1 95 95 CYS C C 13 178.0517 0.1 . . . . . . . 413 CYS C . 50236 1 445 . 1 . 1 95 95 CYS CA C 13 60.2963 0.1 . . . . . . . 413 CYS CA . 50236 1 446 . 1 . 1 95 95 CYS CB C 13 30.2610 0.1 . . . . . . . 413 CYS CB . 50236 1 447 . 1 . 1 95 95 CYS N N 15 125.7643 0.1 . . . . . . . 413 CYS N . 50236 1 448 . 1 . 1 96 96 ARG H H 1 7.6095 0.01 . . . . . . . 414 ARG H . 50236 1 449 . 1 . 1 96 96 ARG C C 13 177.1980 0.1 . . . . . . . 414 ARG C . 50236 1 450 . 1 . 1 96 96 ARG CA C 13 58.9066 0.1 . . . . . . . 414 ARG CA . 50236 1 451 . 1 . 1 96 96 ARG CB C 13 27.7821 0.1 . . . . . . . 414 ARG CB . 50236 1 452 . 1 . 1 96 96 ARG N N 15 118.3509 0.1 . . . . . . . 414 ARG N . 50236 1 453 . 1 . 1 97 97 TRP H H 1 9.7552 0.01 . . . . . . . 415 TRP H . 50236 1 454 . 1 . 1 97 97 TRP CA C 13 56.5993 0.1 . . . . . . . 415 TRP CA . 50236 1 455 . 1 . 1 97 97 TRP CB C 13 27.9198 0.1 . . . . . . . 415 TRP CB . 50236 1 456 . 1 . 1 97 97 TRP N N 15 129.7326 0.1 . . . . . . . 415 TRP N . 50236 1 457 . 1 . 1 98 98 PRO C C 13 177.6348 0.1 . . . . . . . 416 PRO C . 50236 1 458 . 1 . 1 99 99 SER H H 1 8.3215 0.01 . . . . . . . 417 SER H . 50236 1 459 . 1 . 1 99 99 SER C C 13 173.3455 0.1 . . . . . . . 417 SER C . 50236 1 460 . 1 . 1 99 99 SER CA C 13 59.2258 0.1 . . . . . . . 417 SER CA . 50236 1 461 . 1 . 1 99 99 SER N N 15 112.1689 0.1 . . . . . . . 417 SER N . 50236 1 462 . 1 . 1 100 100 CYS H H 1 8.1685 0.01 . . . . . . . 418 CYS H . 50236 1 463 . 1 . 1 100 100 CYS CA C 13 60.2251 0.1 . . . . . . . 418 CYS CA . 50236 1 464 . 1 . 1 100 100 CYS CB C 13 31.0873 0.1 . . . . . . . 418 CYS CB . 50236 1 465 . 1 . 1 100 100 CYS N N 15 125.3703 0.1 . . . . . . . 418 CYS N . 50236 1 466 . 1 . 1 101 101 GLN C C 13 175.7885 0.1 . . . . . . . 419 GLN C . 50236 1 467 . 1 . 1 101 101 GLN CA C 13 55.9616 0.1 . . . . . . . 419 GLN CA . 50236 1 468 . 1 . 1 101 101 GLN CB C 13 29.5724 0.1 . . . . . . . 419 GLN CB . 50236 1 469 . 1 . 1 102 102 LYS H H 1 8.1606 0.01 . . . . . . . 420 LYS H . 50236 1 470 . 1 . 1 102 102 LYS C C 13 174.8355 0.1 . . . . . . . 420 LYS C . 50236 1 471 . 1 . 1 102 102 LYS CA C 13 57.4172 0.1 . . . . . . . 420 LYS CA . 50236 1 472 . 1 . 1 102 102 LYS CB C 13 32.1891 0.1 . . . . . . . 420 LYS CB . 50236 1 473 . 1 . 1 102 102 LYS N N 15 122.0016 0.1 . . . . . . . 420 LYS N . 50236 1 474 . 1 . 1 103 103 LYS H H 1 7.3201 0.01 . . . . . . . 421 LYS H . 50236 1 475 . 1 . 1 103 103 LYS C C 13 175.1135 0.1 . . . . . . . 421 LYS C . 50236 1 476 . 1 . 1 103 103 LYS CA C 13 53.9027 0.1 . . . . . . . 421 LYS CA . 50236 1 477 . 1 . 1 103 103 LYS CB C 13 34.7369 0.1 . . . . . . . 421 LYS CB . 50236 1 478 . 1 . 1 103 103 LYS N N 15 118.5435 0.1 . . . . . . . 421 LYS N . 50236 1 479 . 1 . 1 104 104 PHE H H 1 8.8731 0.01 . . . . . . . 422 PHE H . 50236 1 480 . 1 . 1 104 104 PHE C C 13 174.8355 0.1 . . . . . . . 422 PHE C . 50236 1 481 . 1 . 1 104 104 PHE CA C 13 56.7468 0.1 . . . . . . . 422 PHE CA . 50236 1 482 . 1 . 1 104 104 PHE CB C 13 43.4821 0.1 . . . . . . . 422 PHE CB . 50236 1 483 . 1 . 1 104 104 PHE N N 15 115.8643 0.1 . . . . . . . 422 PHE N . 50236 1 484 . 1 . 1 105 105 ALA H H 1 9.3097 0.01 . . . . . . . 423 ALA H . 50236 1 485 . 1 . 1 105 105 ALA C C 13 176.8605 0.1 . . . . . . . 423 ALA C . 50236 1 486 . 1 . 1 105 105 ALA CA C 13 53.6008 0.1 . . . . . . . 423 ALA CA . 50236 1 487 . 1 . 1 105 105 ALA CB C 13 20.2763 0.1 . . . . . . . 423 ALA CB . 50236 1 488 . 1 . 1 105 105 ALA N N 15 122.9499 0.1 . . . . . . . 423 ALA N . 50236 1 489 . 1 . 1 106 106 ARG H H 1 7.6025 0.01 . . . . . . . 424 ARG H . 50236 1 490 . 1 . 1 106 106 ARG C C 13 176.4833 0.1 . . . . . . . 424 ARG C . 50236 1 491 . 1 . 1 106 106 ARG CA C 13 53.6805 0.1 . . . . . . . 424 ARG CA . 50236 1 492 . 1 . 1 106 106 ARG CB C 13 35.4255 0.1 . . . . . . . 424 ARG CB . 50236 1 493 . 1 . 1 106 106 ARG N N 15 113.8348 0.1 . . . . . . . 424 ARG N . 50236 1 494 . 1 . 1 107 107 SER H H 1 8.3279 0.01 . . . . . . . 425 SER H . 50236 1 495 . 1 . 1 107 107 SER C C 13 176.6421 0.1 . . . . . . . 425 SER C . 50236 1 496 . 1 . 1 107 107 SER CA C 13 59.6552 0.1 . . . . . . . 425 SER CA . 50236 1 497 . 1 . 1 107 107 SER CB C 13 62.0742 0.1 . . . . . . . 425 SER CB . 50236 1 498 . 1 . 1 107 107 SER N N 15 117.9213 0.1 . . . . . . . 425 SER N . 50236 1 499 . 1 . 1 108 108 ASP H H 1 8.1403 0.01 . . . . . . . 426 ASP H . 50236 1 500 . 1 . 1 108 108 ASP C C 13 179.1833 0.1 . . . . . . . 426 ASP C . 50236 1 501 . 1 . 1 108 108 ASP CA C 13 55.8248 0.1 . . . . . . . 426 ASP CA . 50236 1 502 . 1 . 1 108 108 ASP CB C 13 37.1470 0.1 . . . . . . . 426 ASP CB . 50236 1 503 . 1 . 1 108 108 ASP N N 15 120.3724 0.1 . . . . . . . 426 ASP N . 50236 1 504 . 1 . 1 109 109 GLU H H 1 7.3264 0.01 . . . . . . . 427 GLU H . 50236 1 505 . 1 . 1 109 109 GLU C C 13 178.7061 0.1 . . . . . . . 427 GLU C . 50236 1 506 . 1 . 1 109 109 GLU CA C 13 58.3375 0.1 . . . . . . . 427 GLU CA . 50236 1 507 . 1 . 1 109 109 GLU CB C 13 30.3987 0.1 . . . . . . . 427 GLU CB . 50236 1 508 . 1 . 1 109 109 GLU N N 15 122.7247 0.1 . . . . . . . 427 GLU N . 50236 1 509 . 1 . 1 110 110 LEU H H 1 6.8876 0.01 . . . . . . . 428 LEU H . 50236 1 510 . 1 . 1 110 110 LEU C C 13 177.3966 0.1 . . . . . . . 428 LEU C . 50236 1 511 . 1 . 1 110 110 LEU CA C 13 57.1472 0.1 . . . . . . . 428 LEU CA . 50236 1 512 . 1 . 1 110 110 LEU CB C 13 39.3505 0.1 . . . . . . . 428 LEU CB . 50236 1 513 . 1 . 1 110 110 LEU N N 15 120.4607 0.1 . . . . . . . 428 LEU N . 50236 1 514 . 1 . 1 111 111 VAL H H 1 7.9089 0.01 . . . . . . . 429 VAL H . 50236 1 515 . 1 . 1 111 111 VAL C C 13 178.8458 0.1 . . . . . . . 429 VAL C . 50236 1 516 . 1 . 1 111 111 VAL CA C 13 66.3343 0.1 . . . . . . . 429 VAL CA . 50236 1 517 . 1 . 1 111 111 VAL CB C 13 30.8807 0.1 . . . . . . . 429 VAL CB . 50236 1 518 . 1 . 1 111 111 VAL N N 15 119.8408 0.1 . . . . . . . 429 VAL N . 50236 1 519 . 1 . 1 112 112 ARG H H 1 7.4361 0.01 . . . . . . . 430 ARG H . 50236 1 520 . 1 . 1 112 112 ARG C C 13 178.0914 0.1 . . . . . . . 430 ARG C . 50236 1 521 . 1 . 1 112 112 ARG CA C 13 59.1026 0.1 . . . . . . . 430 ARG CA . 50236 1 522 . 1 . 1 112 112 ARG CB C 13 29.5724 0.1 . . . . . . . 430 ARG CB . 50236 1 523 . 1 . 1 112 112 ARG N N 15 117.1430 0.1 . . . . . . . 430 ARG N . 50236 1 524 . 1 . 1 113 113 HIS H H 1 7.2969 0.01 . . . . . . . 431 HIS H . 50236 1 525 . 1 . 1 113 113 HIS C C 13 177.8136 0.1 . . . . . . . 431 HIS C . 50236 1 526 . 1 . 1 113 113 HIS CA C 13 58.6447 0.1 . . . . . . . 431 HIS CA . 50236 1 527 . 1 . 1 113 113 HIS CB C 13 28.1264 0.1 . . . . . . . 431 HIS CB . 50236 1 528 . 1 . 1 113 113 HIS N N 15 117.0152 0.1 . . . . . . . 431 HIS N . 50236 1 529 . 1 . 1 114 114 HIS H H 1 9.0484 0.01 . . . . . . . 432 HIS H . 50236 1 530 . 1 . 1 114 114 HIS C C 13 178.0517 0.1 . . . . . . . 432 HIS C . 50236 1 531 . 1 . 1 114 114 HIS CA C 13 58.3207 0.1 . . . . . . . 432 HIS CA . 50236 1 532 . 1 . 1 114 114 HIS CB C 13 28.9257 0.1 . . . . . . . 432 HIS CB . 50236 1 533 . 1 . 1 114 114 HIS N N 15 119.4157 0.1 . . . . . . . 432 HIS N . 50236 1 534 . 1 . 1 115 115 ASN H H 1 7.7042 0.01 . . . . . . . 433 ASN H . 50236 1 535 . 1 . 1 115 115 ASN C C 13 175.4708 0.1 . . . . . . . 433 ASN C . 50236 1 536 . 1 . 1 115 115 ASN CA C 13 54.2352 0.1 . . . . . . . 433 ASN CA . 50236 1 537 . 1 . 1 115 115 ASN CB C 13 37.9044 0.1 . . . . . . . 433 ASN CB . 50236 1 538 . 1 . 1 115 115 ASN N N 15 115.3474 0.1 . . . . . . . 433 ASN N . 50236 1 539 . 1 . 1 116 116 MET H H 1 7.6555 0.01 . . . . . . . 434 MET H . 50236 1 540 . 1 . 1 116 116 MET C C 13 176.3642 0.1 . . . . . . . 434 MET C . 50236 1 541 . 1 . 1 116 116 MET CA C 13 55.0400 0.1 . . . . . . . 434 MET CA . 50236 1 542 . 1 . 1 116 116 MET CB C 13 31.7759 0.1 . . . . . . . 434 MET CB . 50236 1 543 . 1 . 1 116 116 MET N N 15 117.3929 0.1 . . . . . . . 434 MET N . 50236 1 544 . 1 . 1 117 117 HIS H H 1 6.8504 0.01 . . . . . . . 435 HIS H . 50236 1 545 . 1 . 1 117 117 HIS CA C 13 58.0882 0.1 . . . . . . . 435 HIS CA . 50236 1 546 . 1 . 1 117 117 HIS CB C 13 28.1264 0.1 . . . . . . . 435 HIS CB . 50236 1 547 . 1 . 1 117 117 HIS N N 15 124.4415 0.1 . . . . . . . 435 HIS N . 50236 1 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50236 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'WT1(-KTS)-RNA complex, RNA component' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 14 '3D HCCH-COSY' . . . 50236 2 15 '3D HMQC-NOESY' . . . 50236 2 16 '2D 1H-13C HSQC' . . . 50236 2 17 '2D 1H-13C HMQC' . . . 50236 2 18 '2D 13C[F1,F2]filtered NOESY' . . . 50236 2 19 '2D 1H-15N HSQC' . . . 50236 2 20 '3D 1H-15N NOESY' . . . 50236 2 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 2 $software_2 . . 50236 2 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 . 2 . 2 1 1 G H1' H 1 5.834 0.01 . 1 . . . . . 1 G H1' . 50236 2 2 . 2 . 2 1 1 G H2' H 1 4.929 0.01 . 1 . . . . . 1 G H2' . 50236 2 3 . 2 . 2 1 1 G H8 H 1 8.008 0.01 . 1 . . . . . 1 G H8 . 50236 2 4 . 2 . 2 1 1 G C1' C 13 92.913 0.1 . 1 . . . . . 1 G C1' . 50236 2 5 . 2 . 2 1 1 G C2' C 13 76.182 0.1 . 1 . . . . . 1 G C2' . 50236 2 6 . 2 . 2 1 1 G C8 C 13 136.771 0.1 . 1 . . . . . 1 G C8 . 50236 2 7 . 2 . 2 2 2 G H1' H 1 5.891 0.01 . 1 . . . . . 2 G H1' . 50236 2 8 . 2 . 2 2 2 G H2' H 1 4.633 0.01 . 1 . . . . . 2 G H2' . 50236 2 9 . 2 . 2 2 2 G H3' H 1 4.242 0.01 . 1 . . . . . 2 G H3' . 50236 2 10 . 2 . 2 2 2 G H8 H 1 7.504 0.01 . 1 . . . . . 2 G H8 . 50236 2 11 . 2 . 2 2 2 G C1' C 13 93.555 0.1 . 1 . . . . . 2 G C1' . 50236 2 12 . 2 . 2 2 2 G C2' C 13 71.949 0.1 . 1 . . . . . 2 G C2' . 50236 2 13 . 2 . 2 2 2 G C3' C 13 73.725 0.1 . 1 . . . . . 2 G C3' . 50236 2 14 . 2 . 2 2 2 G C8 C 13 136.504 0.1 . 1 . . . . . 2 G C8 . 50236 2 15 . 2 . 2 3 3 G H1' H 1 5.756 0.01 . 1 . . . . . 3 G H1' . 50236 2 16 . 2 . 2 3 3 G H2' H 1 3.828 0.01 . 1 . . . . . 3 G H2' . 50236 2 17 . 2 . 2 3 3 G H4' H 1 4.381 0.01 . 1 . . . . . 3 G H4' . 50236 2 18 . 2 . 2 3 3 G H8 H 1 7.301 0.01 . 1 . . . . . 3 G H8 . 50236 2 19 . 2 . 2 3 3 G C1' C 13 91.927 0.1 . 1 . . . . . 3 G C1' . 50236 2 20 . 2 . 2 3 3 G C2' C 13 76.710 0.1 . 1 . . . . . 3 G C2' . 50236 2 21 . 2 . 2 3 3 G C4' C 13 82.003 0.1 . 1 . . . . . 3 G C4' . 50236 2 22 . 2 . 2 3 3 G C8 C 13 135.893 0.1 . 1 . . . . . 3 G C8 . 50236 2 23 . 2 . 2 4 4 C H2' H 1 4.457 0.01 . 1 . . . . . 4 C H2' . 50236 2 24 . 2 . 2 4 4 C H4' H 1 4.480 0.01 . 1 . . . . . 4 C H4' . 50236 2 25 . 2 . 2 4 4 C H5 H 1 5.274 0.01 . 1 . . . . . 4 C H5 . 50236 2 26 . 2 . 2 4 4 C C4' C 13 82.400 0.1 . 1 . . . . . 4 C C4' . 50236 2 27 . 2 . 2 4 4 C C5 C 13 97.384 0.1 . 1 . . . . . 4 C C5 . 50236 2 28 . 2 . 2 5 5 C H1' H 1 5.511 0.01 . 1 . . . . . 5 C H1' . 50236 2 29 . 2 . 2 5 5 C H5 H 1 5.358 0.01 . 1 . . . . . 5 C H5 . 50236 2 30 . 2 . 2 5 5 C H6 H 1 7.874 0.01 . 1 . . . . . 5 C H6 . 50236 2 31 . 2 . 2 5 5 C C1' C 13 93.800 0.1 . 1 . . . . . 5 C C1' . 50236 2 32 . 2 . 2 5 5 C C5 C 13 97.739 0.1 . 1 . . . . . 5 C C5 . 50236 2 33 . 2 . 2 5 5 C C6 C 13 143.081 0.1 . 1 . . . . . 5 C C6 . 50236 2 34 . 2 . 2 6 6 A H1' H 1 5.923 0.01 . 1 . . . . . 6 A H1' . 50236 2 35 . 2 . 2 6 6 A H2 H 1 7.386 0.01 . 1 . . . . . 6 A H2 . 50236 2 36 . 2 . 2 6 6 A H2' H 1 4.713 0.01 . 1 . . . . . 6 A H2' . 50236 2 37 . 2 . 2 6 6 A H3' H 1 4.536 0.01 . 1 . . . . . 6 A H3' . 50236 2 38 . 2 . 2 6 6 A H4' H 1 4.487 0.01 . 1 . . . . . 6 A H4' . 50236 2 39 . 2 . 2 6 6 A H8 H 1 8.148 0.01 . 1 . . . . . 6 A H8 . 50236 2 40 . 2 . 2 6 6 A C1' C 13 92.313 0.1 . 1 . . . . . 6 A C1' . 50236 2 41 . 2 . 2 6 6 A C2 C 13 153.266 0.1 . 1 . . . . . 6 A C2 . 50236 2 42 . 2 . 2 6 6 A C2' C 13 75.612 0.1 . 1 . . . . . 6 A C2' . 50236 2 43 . 2 . 2 6 6 A C3' C 13 73.715 0.1 . 1 . . . . . 6 A C3' . 50236 2 44 . 2 . 2 6 6 A C4' C 13 82.359 0.1 . 1 . . . . . 6 A C4' . 50236 2 45 . 2 . 2 6 6 A C8 C 13 140.024 0.1 . 1 . . . . . 6 A C8 . 50236 2 46 . 2 . 2 7 7 C H1' H 1 5.265 0.01 . 1 . . . . . 7 C H1' . 50236 2 47 . 2 . 2 7 7 C H2' H 1 4.180 0.01 . 1 . . . . . 7 C H2' . 50236 2 48 . 2 . 2 7 7 C H3' H 1 4.280 0.01 . 9 . . . . . 7 C H3' . 50236 2 49 . 2 . 2 7 7 C H4' H 1 4.480 0.01 . 1 . . . . . 7 C H4' . 50236 2 50 . 2 . 2 7 7 C H5 H 1 5.183 0.01 . 1 . . . . . 7 C H5 . 50236 2 51 . 2 . 2 7 7 C H6 H 1 7.456 0.01 . 1 . . . . . 7 C H6 . 50236 2 52 . 2 . 2 7 7 C C1' C 13 94.689 0.1 . 1 . . . . . 7 C C1' . 50236 2 53 . 2 . 2 7 7 C C2' C 13 75.600 0.1 . 1 . . . . . 7 C C2' . 50236 2 54 . 2 . 2 7 7 C C3' C 13 75.000 0.1 . 1 . . . . . 7 C C3' . 50236 2 55 . 2 . 2 7 7 C C4' C 13 82.400 0.1 . 1 . . . . . 7 C C4' . 50236 2 56 . 2 . 2 7 7 C C5 C 13 97.706 0.1 . 1 . . . . . 7 C C5 . 50236 2 57 . 2 . 2 7 7 C C6 C 13 141.106 0.1 . 1 . . . . . 7 C C6 . 50236 2 58 . 2 . 2 8 8 C H1' H 1 5.544 0.01 . 1 . . . . . 8 C H1' . 50236 2 59 . 2 . 2 8 8 C H2' H 1 4.556 0.01 . 1 . . . . . 8 C H2' . 50236 2 60 . 2 . 2 8 8 C H3' H 1 4.470 0.01 . 1 . . . . . 8 C H3' . 50236 2 61 . 2 . 2 8 8 C H4' H 1 4.370 0.01 . 1 . . . . . 8 C H4' . 50236 2 62 . 2 . 2 8 8 C H6 H 1 8.023 0.01 . 1 . . . . . 8 C H6 . 50236 2 63 . 2 . 2 8 8 C C1' C 13 93.700 0.1 . 1 . . . . . 8 C C1' . 50236 2 64 . 2 . 2 8 8 C C2' C 13 75.400 0.1 . 1 . . . . . 8 C C2' . 50236 2 65 . 2 . 2 8 8 C C3' C 13 72.900 0.1 . 1 . . . . . 8 C C3' . 50236 2 66 . 2 . 2 8 8 C C4' C 13 82.100 0.1 . 1 . . . . . 8 C C4' . 50236 2 67 . 2 . 2 8 8 C C6 C 13 141.780 0.1 . 1 . . . . . 8 C C6 . 50236 2 68 . 2 . 2 9 9 A H1' H 1 5.972 0.01 . 1 . . . . . 9 A H1' . 50236 2 69 . 2 . 2 9 9 A H2 H 1 6.647 0.01 . 1 . . . . . 9 A H2 . 50236 2 70 . 2 . 2 9 9 A H2' H 1 4.836 0.01 . 1 . . . . . 9 A H2' . 50236 2 71 . 2 . 2 9 9 A H3' H 1 4.626 0.01 . 1 . . . . . 9 A H3' . 50236 2 72 . 2 . 2 9 9 A H4' H 1 4.554 0.01 . 1 . . . . . 9 A H4' . 50236 2 73 . 2 . 2 9 9 A H8 H 1 7.922 0.01 . 1 . . . . . 9 A H8 . 50236 2 74 . 2 . 2 9 9 A C1' C 13 91.774 0.1 . 1 . . . . . 9 A C1' . 50236 2 75 . 2 . 2 9 9 A C2 C 13 151.814 0.1 . 1 . . . . . 9 A C2 . 50236 2 76 . 2 . 2 9 9 A C2' C 13 75.672 0.1 . 1 . . . . . 9 A C2' . 50236 2 77 . 2 . 2 9 9 A C3' C 13 74.592 0.1 . 1 . . . . . 9 A C3' . 50236 2 78 . 2 . 2 9 9 A C4' C 13 82.869 0.1 . 1 . . . . . 9 A C4' . 50236 2 79 . 2 . 2 9 9 A C8 C 13 140.067 0.1 . 1 . . . . . 9 A C8 . 50236 2 80 . 2 . 2 10 10 A H1' H 1 5.991 0.01 . 1 . . . . . 10 A H1' . 50236 2 81 . 2 . 2 10 10 A H2 H 1 7.769 0.01 . 1 . . . . . 10 A H2 . 50236 2 82 . 2 . 2 10 10 A H2' H 1 4.651 0.01 . 1 . . . . . 10 A H2' . 50236 2 83 . 2 . 2 10 10 A H3' H 1 3.944 0.01 . 1 . . . . . 10 A H3' . 50236 2 84 . 2 . 2 10 10 A H4' H 1 4.556 0.01 . 1 . . . . . 10 A H4' . 50236 2 85 . 2 . 2 10 10 A H8 H 1 7.277 0.01 . 1 . . . . . 10 A H8 . 50236 2 86 . 2 . 2 10 10 A C1' C 13 93.276 0.1 . 1 . . . . . 10 A C1' . 50236 2 87 . 2 . 2 10 10 A C2 C 13 153.417 0.1 . 1 . . . . . 10 A C2 . 50236 2 88 . 2 . 2 10 10 A C2' C 13 75.508 0.1 . 1 . . . . . 10 A C2' . 50236 2 89 . 2 . 2 10 10 A C3' C 13 73.490 0.1 . 1 . . . . . 10 A C3' . 50236 2 90 . 2 . 2 10 10 A C4' C 13 82.515 0.1 . 1 . . . . . 10 A C4' . 50236 2 91 . 2 . 2 10 10 A C8 C 13 138.870 0.1 . 1 . . . . . 10 A C8 . 50236 2 92 . 2 . 2 11 11 C H1' H 1 4.900 0.01 . 1 . . . . . 11 C H1' . 50236 2 93 . 2 . 2 11 11 C H2' H 1 4.315 0.01 . 1 . . . . . 11 C H2' . 50236 2 94 . 2 . 2 11 11 C H3' H 1 4.281 0.01 . 1 . . . . . 11 C H3' . 50236 2 95 . 2 . 2 11 11 C H4' H 1 4.403 0.01 . 1 . . . . . 11 C H4' . 50236 2 96 . 2 . 2 11 11 C H5 H 1 5.044 0.01 . 1 . . . . . 11 C H5 . 50236 2 97 . 2 . 2 11 11 C H6 H 1 6.830 0.01 . 1 . . . . . 11 C H6 . 50236 2 98 . 2 . 2 11 11 C C1' C 13 93.988 0.1 . 1 . . . . . 11 C C1' . 50236 2 99 . 2 . 2 11 11 C C5 C 13 97.574 0.1 . 1 . . . . . 11 C C5 . 50236 2 100 . 2 . 2 11 11 C C6 C 13 139.150 0.1 . 1 . . . . . 11 C C6 . 50236 2 101 . 2 . 2 12 12 G H1' H 1 5.822 0.01 . 1 . . . . . 12 G H1' . 50236 2 102 . 2 . 2 12 12 G H2' H 1 4.373 0.01 . 1 . . . . . 12 G H2' . 50236 2 103 . 2 . 2 12 12 G H3' H 1 4.587 0.01 . 1 . . . . . 12 G H3' . 50236 2 104 . 2 . 2 12 12 G H8 H 1 7.490 0.01 . 1 . . . . . 12 G H8 . 50236 2 105 . 2 . 2 12 12 G C1' C 13 92.863 0.1 . 1 . . . . . 12 G C1' . 50236 2 106 . 2 . 2 12 12 G C2' C 13 73.085 0.1 . 1 . . . . . 12 G C2' . 50236 2 107 . 2 . 2 12 12 G C3' C 13 72.324 0.1 . 1 . . . . . 12 G C3' . 50236 2 108 . 2 . 2 12 12 G C8 C 13 136.546 0.1 . 1 . . . . . 12 G C8 . 50236 2 109 . 2 . 2 13 13 A H1' H 1 5.689 0.01 . 1 . . . . . 13 A H1' . 50236 2 110 . 2 . 2 13 13 A H2 H 1 7.561 0.01 . 1 . . . . . 13 A H2 . 50236 2 111 . 2 . 2 13 13 A H2' H 1 4.054 0.01 . 1 . . . . . 13 A H2' . 50236 2 112 . 2 . 2 13 13 A H3' H 1 4.591 0.01 . 1 . . . . . 13 A H3' . 50236 2 113 . 2 . 2 13 13 A H4' H 1 4.369 0.01 . 1 . . . . . 13 A H4' . 50236 2 114 . 2 . 2 13 13 A H8 H 1 7.741 0.01 . 1 . . . . . 13 A H8 . 50236 2 115 . 2 . 2 13 13 A C1' C 13 93.067 0.1 . 1 . . . . . 13 A C1' . 50236 2 116 . 2 . 2 13 13 A C2 C 13 154.927 0.1 . 1 . . . . . 13 A C2 . 50236 2 117 . 2 . 2 13 13 A C2' C 13 76.577 0.1 . 1 . . . . . 13 A C2' . 50236 2 118 . 2 . 2 13 13 A C3' C 13 72.306 0.1 . 1 . . . . . 13 A C3' . 50236 2 119 . 2 . 2 13 13 A C4' C 13 83.050 0.1 . 1 . . . . . 13 A C4' . 50236 2 120 . 2 . 2 13 13 A C8 C 13 139.184 0.1 . 1 . . . . . 13 A C8 . 50236 2 121 . 2 . 2 14 14 C H1' H 1 5.646 0.01 . 1 . . . . . 14 C H1' . 50236 2 122 . 2 . 2 14 14 C H2' H 1 4.060 0.01 . 1 . . . . . 14 C H2' . 50236 2 123 . 2 . 2 14 14 C H3' H 1 4.530 0.01 . 1 . . . . . 14 C H3' . 50236 2 124 . 2 . 2 14 14 C H4' H 1 4.168 0.01 . 1 . . . . . 14 C H4' . 50236 2 125 . 2 . 2 14 14 C H5 H 1 5.440 0.01 . 1 . . . . . 14 C H5 . 50236 2 126 . 2 . 2 14 14 C H5' H 1 4.542 0.01 . 2 . . . . . 14 C H5' . 50236 2 127 . 2 . 2 14 14 C H5'' H 1 4.029 0.01 . 2 . . . . . 14 C H5'' . 50236 2 128 . 2 . 2 14 14 C H6 H 1 7.369 0.01 . 1 . . . . . 14 C H6 . 50236 2 129 . 2 . 2 14 14 C C1' C 13 89.845 0.1 . 1 . . . . . 14 C C1' . 50236 2 130 . 2 . 2 14 14 C C2' C 13 76.180 0.1 . 1 . . . . . 14 C C2' . 50236 2 131 . 2 . 2 14 14 C C3' C 13 78.203 0.1 . 1 . . . . . 14 C C3' . 50236 2 132 . 2 . 2 14 14 C C4' C 13 84.915 0.1 . 1 . . . . . 14 C C4' . 50236 2 133 . 2 . 2 14 14 C C5 C 13 98.934 0.1 . 1 . . . . . 14 C C5 . 50236 2 134 . 2 . 2 14 14 C C5' C 13 64.178 0.1 . 1 . . . . . 14 C C5' . 50236 2 135 . 2 . 2 14 14 C C6 C 13 142.214 0.1 . 1 . . . . . 14 C C6 . 50236 2 136 . 2 . 2 15 15 A H1' H 1 6.068 0.01 . 1 . . . . . 15 A H1' . 50236 2 137 . 2 . 2 15 15 A H2 H 1 8.226 0.01 . 1 . . . . . 15 A H2 . 50236 2 138 . 2 . 2 15 15 A H2' H 1 4.763 0.01 . 1 . . . . . 15 A H2' . 50236 2 139 . 2 . 2 15 15 A H3' H 1 4.647 0.01 . 1 . . . . . 15 A H3' . 50236 2 140 . 2 . 2 15 15 A H4' H 1 4.602 0.01 . 1 . . . . . 15 A H4' . 50236 2 141 . 2 . 2 15 15 A H5' H 1 4.050 0.01 . 2 . . . . . 15 A H5' . 50236 2 142 . 2 . 2 15 15 A H5'' H 1 3.965 0.01 . 2 . . . . . 15 A H5'' . 50236 2 143 . 2 . 2 15 15 A H8 H 1 8.376 0.01 . 1 . . . . . 15 A H8 . 50236 2 144 . 2 . 2 15 15 A C1' C 13 88.829 0.1 . 1 . . . . . 15 A C1' . 50236 2 145 . 2 . 2 15 15 A C2 C 13 155.641 0.1 . 1 . . . . . 15 A C2 . 50236 2 146 . 2 . 2 15 15 A C2' C 13 76.226 0.1 . 1 . . . . . 15 A C2' . 50236 2 147 . 2 . 2 15 15 A C3' C 13 77.937 0.1 . 1 . . . . . 15 A C3' . 50236 2 148 . 2 . 2 15 15 A C4' C 13 85.095 0.1 . 1 . . . . . 15 A C4' . 50236 2 149 . 2 . 2 15 15 A C5' C 13 67.681 0.1 . 1 . . . . . 15 A C5' . 50236 2 150 . 2 . 2 15 15 A C8 C 13 142.367 0.1 . 1 . . . . . 15 A C8 . 50236 2 151 . 2 . 2 16 16 U H1' H 1 5.436 0.01 . 1 . . . . . 16 U H1' . 50236 2 152 . 2 . 2 16 16 U H2' H 1 4.317 0.01 . 1 . . . . . 16 U H2' . 50236 2 153 . 2 . 2 16 16 U H3' H 1 4.657 0.01 . 1 . . . . . 16 U H3' . 50236 2 154 . 2 . 2 16 16 U H4' H 1 4.278 0.01 . 1 . . . . . 16 U H4' . 50236 2 155 . 2 . 2 16 16 U H5 H 1 5.699 0.01 . 1 . . . . . 16 U H5 . 50236 2 156 . 2 . 2 16 16 U H5' H 1 4.284 0.01 . 2 . . . . . 16 U H5' . 50236 2 157 . 2 . 2 16 16 U H5'' H 1 4.119 0.01 . 2 . . . . . 16 U H5'' . 50236 2 158 . 2 . 2 16 16 U H6 H 1 7.626 0.01 . 1 . . . . . 16 U H6 . 50236 2 159 . 2 . 2 16 16 U C1' C 13 95.438 0.1 . 1 . . . . . 16 U C1' . 50236 2 160 . 2 . 2 16 16 U C2' C 13 75.391 0.1 . 1 . . . . . 16 U C2' . 50236 2 161 . 2 . 2 16 16 U C3' C 13 74.806 0.1 . 1 . . . . . 16 U C3' . 50236 2 162 . 2 . 2 16 16 U C4' C 13 84.272 0.1 . 1 . . . . . 16 U C4' . 50236 2 163 . 2 . 2 16 16 U C5 C 13 104.545 0.1 . 1 . . . . . 16 U C5 . 50236 2 164 . 2 . 2 16 16 U C5' C 13 67.252 0.1 . 1 . . . . . 16 U C5' . 50236 2 165 . 2 . 2 16 16 U C6 C 13 144.827 0.1 . 1 . . . . . 16 U C6 . 50236 2 166 . 2 . 2 17 17 U H1' H 1 5.406 0.01 . 1 . . . . . 17 U H1' . 50236 2 167 . 2 . 2 17 17 U H2' H 1 4.630 0.01 . 1 . . . . . 17 U H2' . 50236 2 168 . 2 . 2 17 17 U H3' H 1 4.960 0.01 . 1 . . . . . 17 U H3' . 50236 2 169 . 2 . 2 17 17 U H4' H 1 4.217 0.01 . 1 . . . . . 17 U H4' . 50236 2 170 . 2 . 2 17 17 U H5 H 1 5.978 0.01 . 1 . . . . . 17 U H5 . 50236 2 171 . 2 . 2 17 17 U H5' H 1 4.155 0.01 . 2 . . . . . 17 U H5' . 50236 2 172 . 2 . 2 17 17 U H5'' H 1 4.049 0.01 . 2 . . . . . 17 U H5'' . 50236 2 173 . 2 . 2 17 17 U H6 H 1 7.938 0.01 . 1 . . . . . 17 U H6 . 50236 2 174 . 2 . 2 17 17 U C1' C 13 88.365 0.1 . 1 . . . . . 17 U C1' . 50236 2 175 . 2 . 2 17 17 U C2' C 13 72.831 0.1 . 1 . . . . . 17 U C2' . 50236 2 176 . 2 . 2 17 17 U C3' C 13 78.992 0.1 . 1 . . . . . 17 U C3' . 50236 2 177 . 2 . 2 17 17 U C4' C 13 85.474 0.1 . 1 . . . . . 17 U C4' . 50236 2 178 . 2 . 2 17 17 U C5 C 13 106.186 0.1 . 1 . . . . . 17 U C5 . 50236 2 179 . 2 . 2 17 17 U C5' C 13 68.204 0.1 . 1 . . . . . 17 U C5' . 50236 2 180 . 2 . 2 17 17 U C6 C 13 143.578 0.1 . 1 . . . . . 17 U C6 . 50236 2 181 . 2 . 2 18 18 G H1' H 1 5.669 0.01 . 1 . . . . . 18 G H1' . 50236 2 182 . 2 . 2 18 18 G H2' H 1 4.478 0.01 . 1 . . . . . 18 G H2' . 50236 2 183 . 2 . 2 18 18 G H3' H 1 4.292 0.01 . 1 . . . . . 18 G H3' . 50236 2 184 . 2 . 2 18 18 G H4' H 1 4.660 0.01 . 1 . . . . . 18 G H4' . 50236 2 185 . 2 . 2 18 18 G H5' H 1 4.332 0.01 . 2 . . . . . 18 G H5' . 50236 2 186 . 2 . 2 18 18 G H5'' H 1 3.973 0.01 . 2 . . . . . 18 G H5'' . 50236 2 187 . 2 . 2 18 18 G H8 H 1 8.124 0.01 . 1 . . . . . 18 G H8 . 50236 2 188 . 2 . 2 18 18 G C1' C 13 86.971 0.1 . 1 . . . . . 18 G C1' . 50236 2 189 . 2 . 2 18 18 G C2' C 13 78.755 0.1 . 1 . . . . . 18 G C2' . 50236 2 190 . 2 . 2 18 18 G C3' C 13 78.016 0.1 . 1 . . . . . 18 G C3' . 50236 2 191 . 2 . 2 18 18 G C4' C 13 87.553 0.1 . 1 . . . . . 18 G C4' . 50236 2 192 . 2 . 2 18 18 G C5' C 13 68.993 0.1 . 1 . . . . . 18 G C5' . 50236 2 193 . 2 . 2 18 18 G C8 C 13 138.268 0.1 . 1 . . . . . 18 G C8 . 50236 2 194 . 2 . 2 19 19 A H1' H 1 6.295 0.01 . 1 . . . . . 19 A H1' . 50236 2 195 . 2 . 2 19 19 A H2 H 1 8.324 0.01 . 1 . . . . . 19 A H2 . 50236 2 196 . 2 . 2 19 19 A H2' H 1 4.868 0.01 . 1 . . . . . 19 A H2' . 50236 2 197 . 2 . 2 19 19 A H3' H 1 5.568 0.01 . 1 . . . . . 19 A H3' . 50236 2 198 . 2 . 2 19 19 A H4' H 1 4.618 0.01 . 1 . . . . . 19 A H4' . 50236 2 199 . 2 . 2 19 19 A H8 H 1 8.364 0.01 . 1 . . . . . 19 A H8 . 50236 2 200 . 2 . 2 19 19 A C1' C 13 89.664 0.1 . 1 . . . . . 19 A C1' . 50236 2 201 . 2 . 2 19 19 A C2 C 13 156.136 0.1 . 1 . . . . . 19 A C2 . 50236 2 202 . 2 . 2 19 19 A C2' C 13 76.667 0.1 . 1 . . . . . 19 A C2' . 50236 2 203 . 2 . 2 19 19 A C3' C 13 76.334 0.1 . 1 . . . . . 19 A C3' . 50236 2 204 . 2 . 2 19 19 A C4' C 13 83.234 0.1 . 1 . . . . . 19 A C4' . 50236 2 205 . 2 . 2 19 19 A C8 C 13 142.145 0.1 . 1 . . . . . 19 A C8 . 50236 2 206 . 2 . 2 20 20 U H1' H 1 6.335 0.01 . 1 . . . . . 20 U H1' . 50236 2 207 . 2 . 2 20 20 U H2' H 1 4.933 0.01 . 1 . . . . . 20 U H2' . 50236 2 208 . 2 . 2 20 20 U H3' H 1 4.970 0.01 . 1 . . . . . 20 U H3' . 50236 2 209 . 2 . 2 20 20 U H4' H 1 4.699 0.01 . 1 . . . . . 20 U H4' . 50236 2 210 . 2 . 2 20 20 U H5 H 1 6.025 0.01 . 1 . . . . . 20 U H5 . 50236 2 211 . 2 . 2 20 20 U H5' H 1 4.358 0.01 . 2 . . . . . 20 U H5' . 50236 2 212 . 2 . 2 20 20 U H5'' H 1 4.358 0.01 . 2 . . . . . 20 U H5'' . 50236 2 213 . 2 . 2 20 20 U H6 H 1 8.210 0.01 . 1 . . . . . 20 U H6 . 50236 2 214 . 2 . 2 20 20 U C1' C 13 88.835 0.1 . 1 . . . . . 20 U C1' . 50236 2 215 . 2 . 2 20 20 U C2' C 13 74.508 0.1 . 1 . . . . . 20 U C2' . 50236 2 216 . 2 . 2 20 20 U C3' C 13 77.305 0.1 . 1 . . . . . 20 U C3' . 50236 2 217 . 2 . 2 20 20 U C4' C 13 85.866 0.1 . 1 . . . . . 20 U C4' . 50236 2 218 . 2 . 2 20 20 U C5 C 13 106.036 0.1 . 1 . . . . . 20 U C5 . 50236 2 219 . 2 . 2 20 20 U C5' C 13 68.061 0.1 . 1 . . . . . 20 U C5' . 50236 2 220 . 2 . 2 20 20 U C6 C 13 144.995 0.1 . 1 . . . . . 20 U C6 . 50236 2 221 . 2 . 2 21 21 A H1' H 1 6.296 0.01 . 1 . . . . . 21 A H1' . 50236 2 222 . 2 . 2 21 21 A H2 H 1 7.488 0.01 . 1 . . . . . 21 A H2 . 50236 2 223 . 2 . 2 21 21 A H2' H 1 4.602 0.01 . 1 . . . . . 21 A H2' . 50236 2 224 . 2 . 2 21 21 A H3' H 1 5.251 0.01 . 1 . . . . . 21 A H3' . 50236 2 225 . 2 . 2 21 21 A H4' H 1 4.555 0.01 . 1 . . . . . 21 A H4' . 50236 2 226 . 2 . 2 21 21 A H8 H 1 8.701 0.01 . 1 . . . . . 21 A H8 . 50236 2 227 . 2 . 2 21 21 A C1' C 13 93.373 0.1 . 1 . . . . . 21 A C1' . 50236 2 228 . 2 . 2 21 21 A C2 C 13 153.942 0.1 . 1 . . . . . 21 A C2 . 50236 2 229 . 2 . 2 21 21 A C2' C 13 76.779 0.1 . 1 . . . . . 21 A C2' . 50236 2 230 . 2 . 2 21 21 A C3' C 13 72.310 0.1 . 1 . . . . . 21 A C3' . 50236 2 231 . 2 . 2 21 21 A C4' C 13 85.171 0.1 . 1 . . . . . 21 A C4' . 50236 2 232 . 2 . 2 21 21 A C8 C 13 141.848 0.1 . 1 . . . . . 21 A C8 . 50236 2 233 . 2 . 2 22 22 U H1' H 1 5.557 0.01 . 1 . . . . . 22 U H1' . 50236 2 234 . 2 . 2 22 22 U H2' H 1 4.564 0.01 . 1 . . . . . 22 U H2' . 50236 2 235 . 2 . 2 22 22 U H4' H 1 4.513 0.01 . 1 . . . . . 22 U H4' . 50236 2 236 . 2 . 2 22 22 U H5 H 1 5.718 0.01 . 1 . . . . . 22 U H5 . 50236 2 237 . 2 . 2 22 22 U H6 H 1 7.993 0.01 . 1 . . . . . 22 U H6 . 50236 2 238 . 2 . 2 22 22 U C1' C 13 92.675 0.1 . 1 . . . . . 22 U C1' . 50236 2 239 . 2 . 2 22 22 U C2' C 13 75.466 0.1 . 1 . . . . . 22 U C2' . 50236 2 240 . 2 . 2 22 22 U C4' C 13 83.665 0.1 . 1 . . . . . 22 U C4' . 50236 2 241 . 2 . 2 22 22 U C5 C 13 104.584 0.1 . 1 . . . . . 22 U C5 . 50236 2 242 . 2 . 2 22 22 U C6 C 13 145.200 0.1 . 1 . . . . . 22 U C6 . 50236 2 243 . 2 . 2 23 23 G H1' H 1 5.936 0.01 . 1 . . . . . 23 G H1' . 50236 2 244 . 2 . 2 23 23 G H2' H 1 4.829 0.01 . 1 . . . . . 23 G H2' . 50236 2 245 . 2 . 2 23 23 G H8 H 1 7.698 0.01 . 1 . . . . . 23 G H8 . 50236 2 246 . 2 . 2 23 23 G C1' C 13 92.746 0.1 . 1 . . . . . 23 G C1' . 50236 2 247 . 2 . 2 23 23 G C2' C 13 75.454 0.1 . 1 . . . . . 23 G C2' . 50236 2 248 . 2 . 2 23 23 G C8 C 13 136.313 0.1 . 1 . . . . . 23 G C8 . 50236 2 249 . 2 . 2 24 24 G H1' H 1 5.804 0.01 . 1 . . . . . 24 G H1' . 50236 2 250 . 2 . 2 24 24 G H8 H 1 7.612 0.01 . 1 . . . . . 24 G H8 . 50236 2 251 . 2 . 2 24 24 G C1' C 13 92.771 0.1 . 1 . . . . . 24 G C1' . 50236 2 252 . 2 . 2 24 24 G C8 C 13 135.878 0.1 . 1 . . . . . 24 G C8 . 50236 2 253 . 2 . 2 25 25 U H1' H 1 5.598 0.01 . 1 . . . . . 25 U H1' . 50236 2 254 . 2 . 2 25 25 U H2' H 1 4.657 0.01 . 1 . . . . . 25 U H2' . 50236 2 255 . 2 . 2 25 25 U H3' H 1 4.511 0.01 . 1 . . . . . 25 U H3' . 50236 2 256 . 2 . 2 25 25 U H4' H 1 4.513 0.01 . 1 . . . . . 25 U H4' . 50236 2 257 . 2 . 2 25 25 U H5 H 1 5.699 0.01 . 1 . . . . . 25 U H5 . 50236 2 258 . 2 . 2 25 25 U H5' H 1 4.413 0.01 . 2 . . . . . 25 U H5' . 50236 2 259 . 2 . 2 25 25 U H5'' H 1 4.313 0.01 . 2 . . . . . 25 U H5'' . 50236 2 260 . 2 . 2 25 25 U H6 H 1 7.626 0.01 . 1 . . . . . 25 U H6 . 50236 2 261 . 2 . 2 25 25 U C1' C 13 93.389 0.1 . 1 . . . . . 25 U C1' . 50236 2 262 . 2 . 2 25 25 U C2' C 13 74.806 0.1 . 1 . . . . . 25 U C2' . 50236 2 263 . 2 . 2 25 25 U C3' C 13 72.457 0.1 . 1 . . . . . 25 U C3' . 50236 2 264 . 2 . 2 25 25 U C4' C 13 82.045 0.1 . 1 . . . . . 25 U C4' . 50236 2 265 . 2 . 2 25 25 U C5 C 13 104.545 0.1 . 1 . . . . . 25 U C5 . 50236 2 266 . 2 . 2 25 25 U C5' C 13 67.300 0.1 . 1 . . . . . 25 U C5' . 50236 2 267 . 2 . 2 25 25 U C6 C 13 144.827 0.1 . 1 . . . . . 25 U C6 . 50236 2 268 . 2 . 2 26 26 G H1' H 1 6.018 0.01 . 1 . . . . . 26 G H1' . 50236 2 269 . 2 . 2 26 26 G H8 H 1 7.733 0.01 . 1 . . . . . 26 G H8 . 50236 2 270 . 2 . 2 26 26 G C1' C 13 92.703 0.1 . 1 . . . . . 26 G C1' . 50236 2 271 . 2 . 2 26 26 G C8 C 13 135.591 0.1 . 1 . . . . . 26 G C8 . 50236 2 272 . 2 . 2 27 27 C H1' H 1 5.424 0.01 . 1 . . . . . 27 C H1' . 50236 2 273 . 2 . 2 27 27 C H2' H 1 3.531 0.01 . 1 . . . . . 27 C H2' . 50236 2 274 . 2 . 2 27 27 C H4' H 1 4.035 0.01 . 1 . . . . . 27 C H4' . 50236 2 275 . 2 . 2 27 27 C H5 H 1 5.768 0.01 . 1 . . . . . 27 C H5 . 50236 2 276 . 2 . 2 27 27 C H6 H 1 8.027 0.01 . 1 . . . . . 27 C H6 . 50236 2 277 . 2 . 2 27 27 C C1' C 13 94.600 0.1 . 1 . . . . . 27 C C1' . 50236 2 278 . 2 . 2 27 27 C C2' C 13 77.812 0.1 . 1 . . . . . 27 C C2' . 50236 2 279 . 2 . 2 27 27 C C4' C 13 83.500 0.1 . 1 . . . . . 27 C C4' . 50236 2 280 . 2 . 2 27 27 C C5 C 13 97.200 0.1 . 1 . . . . . 27 C C5 . 50236 2 281 . 2 . 2 27 27 C C6 C 13 143.196 0.1 . 1 . . . . . 27 C C6 . 50236 2 282 . 2 . 2 28 28 C H1' H 1 5.723 0.01 . 1 . . . . . 28 C H1' . 50236 2 283 . 2 . 2 28 28 C H5 H 1 5.470 0.01 . 1 . . . . . 28 C H5 . 50236 2 284 . 2 . 2 28 28 C H6 H 1 8.040 0.01 . 1 . . . . . 28 C H6 . 50236 2 285 . 2 . 2 28 28 C C1' C 13 93.300 0.1 . 1 . . . . . 28 C C1' . 50236 2 286 . 2 . 2 28 28 C C5 C 13 96.947 0.1 . 1 . . . . . 28 C C5 . 50236 2 287 . 2 . 2 28 28 C C6 C 13 142.412 0.1 . 1 . . . . . 28 C C6 . 50236 2 288 . 2 . 2 29 29 C H1' H 1 5.649 0.01 . 1 . . . . . 29 C H1' . 50236 2 289 . 2 . 2 29 29 C H2' H 1 3.536 0.01 . 1 . . . . . 29 C H2' . 50236 2 290 . 2 . 2 29 29 C H3' H 1 3.470 0.01 . 1 . . . . . 29 C H3' . 50236 2 291 . 2 . 2 29 29 C H4' H 1 4.170 0.01 . 1 . . . . . 29 C H4' . 50236 2 292 . 2 . 2 29 29 C H5 H 1 5.760 0.01 . 1 . . . . . 29 C H5 . 50236 2 293 . 2 . 2 29 29 C H6 H 1 7.595 0.01 . 1 . . . . . 29 C H6 . 50236 2 294 . 2 . 2 29 29 C C1' C 13 93.400 0.1 . 1 . . . . . 29 C C1' . 50236 2 295 . 2 . 2 29 29 C C2' C 13 77.800 0.1 . 1 . . . . . 29 C C2' . 50236 2 296 . 2 . 2 29 29 C C3' C 13 69.300 0.1 . 1 . . . . . 29 C C3' . 50236 2 297 . 2 . 2 29 29 C C4' C 13 84.900 0.1 . 1 . . . . . 29 C C4' . 50236 2 298 . 2 . 2 29 29 C C5 C 13 97.232 0.1 . 1 . . . . . 29 C C5 . 50236 2 299 . 2 . 2 29 29 C C6 C 13 140.825 0.1 . 1 . . . . . 29 C C6 . 50236 2 stop_ save_