################################### # 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 52450 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 1' _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' . . . 52450 1 2 '3D HNCO' . . . 52450 1 3 '3D HNCA' . . . 52450 1 4 '3D HNCACB' . . . 52450 1 5 '3D HN(CA)CO' . . . 52450 1 6 '3D HN(CO)CA' . . . 52450 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 . . 52450 1 2 $software_2 . . 52450 1 3 $software_3 . . 52450 1 4 $software_4 . . 52450 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 GLY C C 13 170.437 0 . 1 . . . . . 422 GLY C . 52450 1 2 . 1 . 1 1 1 GLY CA C 13 43.144 0.04 . 1 . . . . . 422 GLY CA . 52450 1 3 . 1 . 1 2 2 SER H H 1 8.752 0.02 . 1 . . . . . 423 SER H . 52450 1 4 . 1 . 1 2 2 SER C C 13 175.012 0.01 . 1 . . . . . 423 SER C . 52450 1 5 . 1 . 1 2 2 SER CA C 13 58.42 0.11 . 1 . . . . . 423 SER CA . 52450 1 6 . 1 . 1 2 2 SER CB C 13 64.099 0 . 1 . . . . . 423 SER CB . 52450 1 7 . 1 . 1 2 2 SER N N 15 115.8 0.02 . 1 . . . . . 423 SER N . 52450 1 8 . 1 . 1 3 3 GLY H H 1 8.583 0.02 . 1 . . . . . 424 GLY H . 52450 1 9 . 1 . 1 3 3 GLY C C 13 173.912 0.01 . 1 . . . . . 424 GLY C . 52450 1 10 . 1 . 1 3 3 GLY CA C 13 44.901 0.14 . 1 . . . . . 424 GLY CA . 52450 1 11 . 1 . 1 3 3 GLY N N 15 110.914 0.03 . 1 . . . . . 424 GLY N . 52450 1 12 . 1 . 1 4 4 LYS H H 1 8.191 0.01 . 1 . . . . . 425 LYS H . 52450 1 13 . 1 . 1 4 4 LYS C C 13 176.421 0 . 1 . . . . . 425 LYS C . 52450 1 14 . 1 . 1 4 4 LYS CA C 13 55.637 0.01 . 1 . . . . . 425 LYS CA . 52450 1 15 . 1 . 1 4 4 LYS CB C 13 32.174 0.01 . 1 . . . . . 425 LYS CB . 52450 1 16 . 1 . 1 4 4 LYS N N 15 120.314 0.04 . 1 . . . . . 425 LYS N . 52450 1 17 . 1 . 1 5 5 THR H H 1 8.138 0.01 . 1 . . . . . 426 THR H . 52450 1 18 . 1 . 1 5 5 THR C C 13 173.595 0 . 1 . . . . . 426 THR C . 52450 1 19 . 1 . 1 5 5 THR CA C 13 59.834 0.13 . 1 . . . . . 426 THR CA . 52450 1 20 . 1 . 1 5 5 THR CB C 13 69.073 0 . 1 . . . . . 426 THR CB . 52450 1 21 . 1 . 1 5 5 THR N N 15 114.454 0.04 . 1 . . . . . 426 THR N . 52450 1 22 . 1 . 1 6 6 PRO C C 13 177.135 0 . 1 . . . . . 427 PRO C . 52450 1 23 . 1 . 1 6 6 PRO CA C 13 64.481 0.08 . 1 . . . . . 427 PRO CA . 52450 1 24 . 1 . 1 6 6 PRO CB C 13 30.498 0 . 1 . . . . . 427 PRO CB . 52450 1 25 . 1 . 1 7 7 LEU H H 1 8.135 0.02 . 1 . . . . . 428 LEU H . 52450 1 26 . 1 . 1 7 7 LEU C C 13 178.163 0 . 1 . . . . . 428 LEU C . 52450 1 27 . 1 . 1 7 7 LEU CA C 13 56.618 0.16 . 1 . . . . . 428 LEU CA . 52450 1 28 . 1 . 1 7 7 LEU CB C 13 40.354 0 . 1 . . . . . 428 LEU CB . 52450 1 29 . 1 . 1 7 7 LEU N N 15 117.737 0.04 . 1 . . . . . 428 LEU N . 52450 1 30 . 1 . 1 8 8 GLY H H 1 8.158 0.02 . 1 . . . . . 429 GLY H . 52450 1 31 . 1 . 1 8 8 GLY C C 13 176.092 0 . 1 . . . . . 429 GLY C . 52450 1 32 . 1 . 1 8 8 GLY CA C 13 46.096 0.13 . 1 . . . . . 429 GLY CA . 52450 1 33 . 1 . 1 8 8 GLY N N 15 107.114 0.03 . 1 . . . . . 429 GLY N . 52450 1 34 . 1 . 1 9 9 LEU H H 1 7.993 0.01 . 1 . . . . . 430 LEU H . 52450 1 35 . 1 . 1 9 9 LEU C C 13 178.514 0 . 1 . . . . . 430 LEU C . 52450 1 36 . 1 . 1 9 9 LEU CA C 13 57.121 0.04 . 1 . . . . . 430 LEU CA . 52450 1 37 . 1 . 1 9 9 LEU CB C 13 40.873 0 . 1 . . . . . 430 LEU CB . 52450 1 38 . 1 . 1 9 9 LEU N N 15 121.193 0.02 . 1 . . . . . 430 LEU N . 52450 1 39 . 1 . 1 10 10 VAL H H 1 7.865 0.02 . 1 . . . . . 431 VAL H . 52450 1 40 . 1 . 1 10 10 VAL C C 13 177.285 0 . 1 . . . . . 431 VAL C . 52450 1 41 . 1 . 1 10 10 VAL CA C 13 65.686 0.07 . 1 . . . . . 431 VAL CA . 52450 1 42 . 1 . 1 10 10 VAL CB C 13 29.395 0 . 1 . . . . . 431 VAL CB . 52450 1 43 . 1 . 1 10 10 VAL N N 15 117.525 0.04 . 1 . . . . . 431 VAL N . 52450 1 44 . 1 . 1 11 11 ASP H H 1 8.31 0.02 . 1 . . . . . 432 ASP H . 52450 1 45 . 1 . 1 11 11 ASP C C 13 176.558 0 . 1 . . . . . 432 ASP C . 52450 1 46 . 1 . 1 11 11 ASP CA C 13 55.528 0.06 . 1 . . . . . 432 ASP CA . 52450 1 47 . 1 . 1 11 11 ASP CB C 13 37.134 0.07 . 1 . . . . . 432 ASP CB . 52450 1 48 . 1 . 1 11 11 ASP N N 15 117.888 0.05 . 1 . . . . . 432 ASP N . 52450 1 49 . 1 . 1 12 12 LEU H H 1 7.867 0.01 . 1 . . . . . 433 LEU H . 52450 1 50 . 1 . 1 12 12 LEU C C 13 178.941 0 . 1 . . . . . 433 LEU C . 52450 1 51 . 1 . 1 12 12 LEU CA C 13 57.281 0.08 . 1 . . . . . 433 LEU CA . 52450 1 52 . 1 . 1 12 12 LEU CB C 13 40.91 0 . 1 . . . . . 433 LEU CB . 52450 1 53 . 1 . 1 12 12 LEU N N 15 119.16 0.04 . 1 . . . . . 433 LEU N . 52450 1 54 . 1 . 1 13 13 PHE H H 1 8.112 0.02 . 1 . . . . . 434 PHE H . 52450 1 55 . 1 . 1 13 13 PHE CA C 13 60.139 0.14 . 1 . . . . . 434 PHE CA . 52450 1 56 . 1 . 1 13 13 PHE CB C 13 39.064 0 . 1 . . . . . 434 PHE CB . 52450 1 57 . 1 . 1 13 13 PHE N N 15 118.461 0.08 . 1 . . . . . 434 PHE N . 52450 1 58 . 1 . 1 15 15 PHE H H 1 8.177 0.03 . 1 . . . . . 436 PHE H . 52450 1 59 . 1 . 1 15 15 PHE C C 13 177.201 0 . 1 . . . . . 436 PHE C . 52450 1 60 . 1 . 1 15 15 PHE CA C 13 60.236 0 . 1 . . . . . 436 PHE CA . 52450 1 61 . 1 . 1 15 15 PHE CB C 13 37.226 0 . 1 . . . . . 436 PHE CB . 52450 1 62 . 1 . 1 15 15 PHE N N 15 118.654 0.09 . 1 . . . . . 436 PHE N . 52450 1 63 . 1 . 1 16 16 SER H H 1 8.228 0.01 . 1 . . . . . 437 SER H . 52450 1 64 . 1 . 1 16 16 SER C C 13 176.149 0 . 1 . . . . . 437 SER C . 52450 1 65 . 1 . 1 16 16 SER CA C 13 60.781 0.12 . 1 . . . . . 437 SER CA . 52450 1 66 . 1 . 1 16 16 SER CB C 13 63.412 0 . 1 . . . . . 437 SER CB . 52450 1 67 . 1 . 1 16 16 SER N N 15 114.082 0.07 . 1 . . . . . 437 SER N . 52450 1 68 . 1 . 1 17 17 THR H H 1 7.99 0.02 . 1 . . . . . 438 THR H . 52450 1 69 . 1 . 1 17 17 THR C C 13 175.958 0 . 1 . . . . . 438 THR C . 52450 1 70 . 1 . 1 17 17 THR CA C 13 64.643 0.12 . 1 . . . . . 438 THR CA . 52450 1 71 . 1 . 1 17 17 THR CB C 13 68.709 0 . 1 . . . . . 438 THR CB . 52450 1 72 . 1 . 1 17 17 THR N N 15 115.178 0.07 . 1 . . . . . 438 THR N . 52450 1 73 . 1 . 1 18 18 SER H H 1 8.026 0.02 . 1 . . . . . 439 SER H . 52450 1 74 . 1 . 1 18 18 SER C C 13 175.208 0 . 1 . . . . . 439 SER C . 52450 1 75 . 1 . 1 18 18 SER CA C 13 61.649 0.1 . 1 . . . . . 439 SER CA . 52450 1 76 . 1 . 1 18 18 SER CB C 13 63.082 0 . 1 . . . . . 439 SER CB . 52450 1 77 . 1 . 1 18 18 SER N N 15 116.992 0.03 . 1 . . . . . 439 SER N . 52450 1 78 . 1 . 1 19 19 PHE H H 1 8.011 0.02 . 1 . . . . . 440 PHE H . 52450 1 79 . 1 . 1 19 19 PHE C C 13 177.795 0 . 1 . . . . . 440 PHE C . 52450 1 80 . 1 . 1 19 19 PHE CA C 13 60.319 0.04 . 1 . . . . . 440 PHE CA . 52450 1 81 . 1 . 1 19 19 PHE CB C 13 37.499 0 . 1 . . . . . 440 PHE CB . 52450 1 82 . 1 . 1 19 19 PHE N N 15 120.817 0.09 . 1 . . . . . 440 PHE N . 52450 1 83 . 1 . 1 20 20 TYR H H 1 7.982 0.02 . 1 . . . . . 441 TYR H . 52450 1 84 . 1 . 1 20 20 TYR C C 13 177.597 0 . 1 . . . . . 441 TYR C . 52450 1 85 . 1 . 1 20 20 TYR CA C 13 60.51 0.02 . 1 . . . . . 441 TYR CA . 52450 1 86 . 1 . 1 20 20 TYR CB C 13 37.332 0.12 . 1 . . . . . 441 TYR CB . 52450 1 87 . 1 . 1 20 20 TYR N N 15 120.515 0.06 . 1 . . . . . 441 TYR N . 52450 1 88 . 1 . 1 21 21 LEU H H 1 7.929 0.03 . 1 . . . . . 442 LEU H . 52450 1 89 . 1 . 1 21 21 LEU C C 13 178.61 0 . 1 . . . . . 442 LEU C . 52450 1 90 . 1 . 1 21 21 LEU CA C 13 57.471 0.04 . 1 . . . . . 442 LEU CA . 52450 1 91 . 1 . 1 21 21 LEU CB C 13 40.627 0 . 1 . . . . . 442 LEU CB . 52450 1 92 . 1 . 1 21 21 LEU N N 15 118.23 0.06 . 1 . . . . . 442 LEU N . 52450 1 93 . 1 . 1 22 22 ILE H H 1 8.108 0.03 . 1 . . . . . 443 ILE H . 52450 1 94 . 1 . 1 22 22 ILE C C 13 177.347 0 . 1 . . . . . 443 ILE C . 52450 1 95 . 1 . 1 22 22 ILE CA C 13 64.541 0.12 . 1 . . . . . 443 ILE CA . 52450 1 96 . 1 . 1 22 22 ILE N N 15 117.438 0.04 . 1 . . . . . 443 ILE N . 52450 1 97 . 1 . 1 23 23 SER H H 1 7.829 0.01 . 1 . . . . . 444 SER H . 52450 1 98 . 1 . 1 23 23 SER C C 13 177.137 0 . 1 . . . . . 444 SER C . 52450 1 99 . 1 . 1 23 23 SER CA C 13 61.828 0.04 . 1 . . . . . 444 SER CA . 52450 1 100 . 1 . 1 23 23 SER CB C 13 62.787 0 . 1 . . . . . 444 SER CB . 52450 1 101 . 1 . 1 23 23 SER N N 15 114.367 0.04 . 1 . . . . . 444 SER N . 52450 1 102 . 1 . 1 24 24 ILE H H 1 7.737 0.02 . 1 . . . . . 445 ILE H . 52450 1 103 . 1 . 1 24 24 ILE C C 13 178.171 0 . 1 . . . . . 445 ILE C . 52450 1 104 . 1 . 1 24 24 ILE CA C 13 64.418 0.06 . 1 . . . . . 445 ILE CA . 52450 1 105 . 1 . 1 24 24 ILE CB C 13 36.549 0 . 1 . . . . . 445 ILE CB . 52450 1 106 . 1 . 1 24 24 ILE N N 15 121.204 0.05 . 1 . . . . . 445 ILE N . 52450 1 107 . 1 . 1 25 25 PHE H H 1 8.08 0.02 . 1 . . . . . 446 PHE H . 52450 1 108 . 1 . 1 25 25 PHE C C 13 177.016 0 . 1 . . . . . 446 PHE C . 52450 1 109 . 1 . 1 25 25 PHE CA C 13 61.346 0.1 . 1 . . . . . 446 PHE CA . 52450 1 110 . 1 . 1 25 25 PHE CB C 13 38.428 0 . 1 . . . . . 446 PHE CB . 52450 1 111 . 1 . 1 25 25 PHE N N 15 119.91 0.03 . 1 . . . . . 446 PHE N . 52450 1 112 . 1 . 1 26 26 LEU H H 1 8.472 0.02 . 1 . . . . . 447 LEU H . 52450 1 113 . 1 . 1 26 26 LEU C C 13 178.545 0 . 1 . . . . . 447 LEU C . 52450 1 114 . 1 . 1 26 26 LEU CA C 13 56.974 0.11 . 1 . . . . . 447 LEU CA . 52450 1 115 . 1 . 1 26 26 LEU CB C 13 40.312 0 . 1 . . . . . 447 LEU CB . 52450 1 116 . 1 . 1 26 26 LEU N N 15 116.275 0.05 . 1 . . . . . 447 LEU N . 52450 1 117 . 1 . 1 27 27 HIS H H 1 7.759 0.02 . 1 . . . . . 448 HIS H . 52450 1 118 . 1 . 1 27 27 HIS C C 13 175.817 0 . 1 . . . . . 448 HIS C . 52450 1 119 . 1 . 1 27 27 HIS CA C 13 57.245 0.09 . 1 . . . . . 448 HIS CA . 52450 1 120 . 1 . 1 27 27 HIS CB C 13 27.683 0 . 1 . . . . . 448 HIS CB . 52450 1 121 . 1 . 1 27 27 HIS N N 15 114.018 0.02 . 1 . . . . . 448 HIS N . 52450 1 122 . 1 . 1 28 28 LEU H H 1 7.912 0.02 . 1 . . . . . 449 LEU H . 52450 1 123 . 1 . 1 28 28 LEU C C 13 177.417 0 . 1 . . . . . 449 LEU C . 52450 1 124 . 1 . 1 28 28 LEU CA C 13 56.079 0.22 . 1 . . . . . 449 LEU CA . 52450 1 125 . 1 . 1 28 28 LEU CB C 13 40.626 0 . 1 . . . . . 449 LEU CB . 52450 1 126 . 1 . 1 28 28 LEU N N 15 118.91 0.08 . 1 . . . . . 449 LEU N . 52450 1 127 . 1 . 1 29 29 VAL H H 1 7.572 0.02 . 1 . . . . . 450 VAL H . 52450 1 128 . 1 . 1 29 29 VAL C C 13 174.734 0 . 1 . . . . . 450 VAL C . 52450 1 129 . 1 . 1 29 29 VAL CA C 13 62.557 0.15 . 1 . . . . . 450 VAL CA . 52450 1 130 . 1 . 1 29 29 VAL CB C 13 30.017 0 . 1 . . . . . 450 VAL CB . 52450 1 131 . 1 . 1 29 29 VAL N N 15 114.343 0.04 . 1 . . . . . 450 VAL N . 52450 1 132 . 1 . 1 30 30 LYS H H 1 7.505 0.01 . 1 . . . . . 451 LYS H . 52450 1 133 . 1 . 1 30 30 LYS C C 13 176.144 0 . 1 . . . . . 451 LYS C . 52450 1 134 . 1 . 1 30 30 LYS CA C 13 55.087 0.09 . 1 . . . . . 451 LYS CA . 52450 1 135 . 1 . 1 30 30 LYS CB C 13 31.702 0.12 . 1 . . . . . 451 LYS CB . 52450 1 136 . 1 . 1 30 30 LYS N N 15 120.869 0.08 . 1 . . . . . 451 LYS N . 52450 1 137 . 1 . 1 31 31 ILE H H 1 7.972 0.01 . 1 . . . . . 452 ILE H . 52450 1 138 . 1 . 1 31 31 ILE CA C 13 60.002 0.19 . 1 . . . . . 452 ILE CA . 52450 1 139 . 1 . 1 31 31 ILE CB C 13 35.442 0 . 1 . . . . . 452 ILE CB . 52450 1 140 . 1 . 1 31 31 ILE N N 15 121.784 0.06 . 1 . . . . . 452 ILE N . 52450 1 141 . 1 . 1 32 32 PRO C C 13 176.288 0.03 . 1 . . . . . 453 PRO C . 52450 1 142 . 1 . 1 32 32 PRO CA C 13 63.077 0.01 . 1 . . . . . 453 PRO CA . 52450 1 143 . 1 . 1 33 33 THR H H 1 7.881 0.02 . 1 . . . . . 454 THR H . 52450 1 144 . 1 . 1 33 33 THR C C 13 174.542 0 . 1 . . . . . 454 THR C . 52450 1 145 . 1 . 1 33 33 THR CA C 13 61.675 0.09 . 1 . . . . . 454 THR CA . 52450 1 146 . 1 . 1 33 33 THR CB C 13 69.481 0.12 . 1 . . . . . 454 THR CB . 52450 1 147 . 1 . 1 33 33 THR N N 15 111.41 0.04 . 1 . . . . . 454 THR N . 52450 1 148 . 1 . 1 34 34 HIS H H 1 8.282 0.01 . 1 . . . . . 455 HIS H . 52450 1 149 . 1 . 1 34 34 HIS C C 13 174.127 0.01 . 1 . . . . . 455 HIS C . 52450 1 150 . 1 . 1 34 34 HIS CA C 13 54.943 0.11 . 1 . . . . . 455 HIS CA . 52450 1 151 . 1 . 1 34 34 HIS CB C 13 28.127 0.01 . 1 . . . . . 455 HIS CB . 52450 1 152 . 1 . 1 34 34 HIS N N 15 118.597 0.06 . 1 . . . . . 455 HIS N . 52450 1 153 . 1 . 1 35 35 ARG H H 1 8.231 0.01 . 1 . . . . . 456 ARG H . 52450 1 154 . 1 . 1 35 35 ARG C C 13 175.641 0 . 1 . . . . . 456 ARG C . 52450 1 155 . 1 . 1 35 35 ARG CA C 13 55.665 0.04 . 1 . . . . . 456 ARG CA . 52450 1 156 . 1 . 1 35 35 ARG CB C 13 29.987 0.04 . 1 . . . . . 456 ARG CB . 52450 1 157 . 1 . 1 35 35 ARG N N 15 120.084 0.03 . 1 . . . . . 456 ARG N . 52450 1 158 . 1 . 1 36 36 HIS H H 1 8.519 0.01 . 1 . . . . . 457 HIS H . 52450 1 159 . 1 . 1 36 36 HIS C C 13 174.097 0.01 . 1 . . . . . 457 HIS C . 52450 1 160 . 1 . 1 36 36 HIS CA C 13 54.797 0.13 . 1 . . . . . 457 HIS CA . 52450 1 161 . 1 . 1 36 36 HIS CB C 13 28.117 0.02 . 1 . . . . . 457 HIS CB . 52450 1 162 . 1 . 1 36 36 HIS N N 15 118.944 0.05 . 1 . . . . . 457 HIS N . 52450 1 163 . 1 . 1 37 37 ILE H H 1 8.302 0.02 . 1 . . . . . 458 ILE H . 52450 1 164 . 1 . 1 37 37 ILE C C 13 175.563 0.02 . 1 . . . . . 458 ILE C . 52450 1 165 . 1 . 1 37 37 ILE CA C 13 61.412 0.09 . 1 . . . . . 458 ILE CA . 52450 1 166 . 1 . 1 37 37 ILE CB C 13 37.529 0 . 1 . . . . . 458 ILE CB . 52450 1 167 . 1 . 1 37 37 ILE N N 15 122.225 0.07 . 1 . . . . . 458 ILE N . 52450 1 168 . 1 . 1 38 38 VAL H H 1 7.961 0.02 . 1 . . . . . 459 VAL H . 52450 1 169 . 1 . 1 38 38 VAL C C 13 175.929 0 . 1 . . . . . 459 VAL C . 52450 1 170 . 1 . 1 38 38 VAL CA C 13 61.61 0.07 . 1 . . . . . 459 VAL CA . 52450 1 171 . 1 . 1 38 38 VAL CB C 13 31.88 0 . 1 . . . . . 459 VAL CB . 52450 1 172 . 1 . 1 38 38 VAL N N 15 120.955 0.02 . 1 . . . . . 459 VAL N . 52450 1 173 . 1 . 1 39 39 GLY H H 1 8.306 0.02 . 1 . . . . . 460 GLY H . 52450 1 174 . 1 . 1 39 39 GLY C C 13 173.177 0 . 1 . . . . . 460 GLY C . 52450 1 175 . 1 . 1 39 39 GLY CA C 13 44.691 0.09 . 1 . . . . . 460 GLY CA . 52450 1 176 . 1 . 1 39 39 GLY N N 15 111.58 0.06 . 1 . . . . . 460 GLY N . 52450 1 177 . 1 . 1 40 40 LYS H H 1 7.893 0.02 . 1 . . . . . 461 LYS H . 52450 1 178 . 1 . 1 40 40 LYS C C 13 180.193 0 . 1 . . . . . 461 LYS C . 52450 1 179 . 1 . 1 40 40 LYS CA C 13 56.075 0.15 . 1 . . . . . 461 LYS CA . 52450 1 180 . 1 . 1 40 40 LYS CB C 13 32.263 0 . 1 . . . . . 461 LYS CB . 52450 1 181 . 1 . 1 40 40 LYS N N 15 123.541 0.07 . 1 . . . . . 461 LYS N . 52450 1 stop_ save_