################################### # 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 50259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FOXO4 TAD' _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 '3D CBCA(CO)NH' . . . 50259 1 2 '3D HNCO' . . . 50259 1 3 '3D HNCACB' . . . 50259 1 4 '3D HN(CA)CO' . . . 50259 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 . . 50259 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 ASP H H 1 8.101 0.00 . . . . . . . 469 ASP H . 50259 1 2 . 1 . 1 1 1 ASP C C 13 173.486 0.00 . . . . . . . 469 ASP CO . 50259 1 3 . 1 . 1 1 1 ASP CA C 13 51.962 0.08 . . . . . . . 469 ASP CA . 50259 1 4 . 1 . 1 1 1 ASP CB C 13 38.205 0.02 . . . . . . . 469 ASP CB . 50259 1 5 . 1 . 1 1 1 ASP N N 15 118.749 0.00 . . . . . . . 469 ASP N . 50259 1 6 . 1 . 1 2 2 LEU H H 1 7.887 0.00 . . . . . . . 470 LEU H . 50259 1 7 . 1 . 1 2 2 LEU C C 13 174.302 0.00 . . . . . . . 470 LEU CO . 50259 1 8 . 1 . 1 2 2 LEU CA C 13 52.617 0.14 . . . . . . . 470 LEU CA . 50259 1 9 . 1 . 1 2 2 LEU CB C 13 40.543 1.21 . . . . . . . 470 LEU CB . 50259 1 10 . 1 . 1 2 2 LEU N N 15 121.411 0.00 . . . . . . . 470 LEU N . 50259 1 11 . 1 . 1 3 3 ASP H H 1 8.190 0.00 . . . . . . . 471 ASP H . 50259 1 12 . 1 . 1 3 3 ASP C C 13 173.607 0.00 . . . . . . . 471 ASP CO . 50259 1 13 . 1 . 1 3 3 ASP CA C 13 51.727 0.12 . . . . . . . 471 ASP CA . 50259 1 14 . 1 . 1 3 3 ASP CB C 13 38.151 0.02 . . . . . . . 471 ASP CB . 50259 1 15 . 1 . 1 3 3 ASP N N 15 120.921 0.01 . . . . . . . 471 ASP N . 50259 1 16 . 1 . 1 4 4 LEU H H 1 7.979 0.00 . . . . . . . 472 LEU H . 50259 1 17 . 1 . 1 4 4 LEU C C 13 174.762 0.00 . . . . . . . 472 LEU CO . 50259 1 18 . 1 . 1 4 4 LEU CA C 13 52.972 0.10 . . . . . . . 472 LEU CA . 50259 1 19 . 1 . 1 4 4 LEU CB C 13 39.663 0.05 . . . . . . . 472 LEU CB . 50259 1 20 . 1 . 1 4 4 LEU N N 15 122.234 0.03 . . . . . . . 472 LEU N . 50259 1 21 . 1 . 1 5 5 ASP H H 1 8.236 0.00 . . . . . . . 473 ASP H . 50259 1 22 . 1 . 1 5 5 ASP C C 13 173.839 0.00 . . . . . . . 473 ASP CO . 50259 1 23 . 1 . 1 5 5 ASP CA C 13 52.227 0.11 . . . . . . . 473 ASP CA . 50259 1 24 . 1 . 1 5 5 ASP CB C 13 38.156 0.02 . . . . . . . 473 ASP CB . 50259 1 25 . 1 . 1 5 5 ASP N N 15 120.406 0.01 . . . . . . . 473 ASP N . 50259 1 26 . 1 . 1 6 6 MET H H 1 7.962 0.00 . . . . . . . 474 MET H . 50259 1 27 . 1 . 1 6 6 MET C C 13 173.333 0.00 . . . . . . . 474 MET CO . 50259 1 28 . 1 . 1 6 6 MET CA C 13 53.222 0.05 . . . . . . . 474 MET CA . 50259 1 29 . 1 . 1 6 6 MET CB C 13 29.957 0.03 . . . . . . . 474 MET CB . 50259 1 30 . 1 . 1 6 6 MET N N 15 119.699 0.00 . . . . . . . 474 MET N . 50259 1 31 . 1 . 1 7 7 TYR H H 1 8.077 0.00 . . . . . . . 475 TYR H . 50259 1 32 . 1 . 1 7 7 TYR C C 13 173.068 0.01 . . . . . . . 475 TYR CO . 50259 1 33 . 1 . 1 7 7 TYR CA C 13 55.645 0.03 . . . . . . . 475 TYR CA . 50259 1 34 . 1 . 1 7 7 TYR CB C 13 35.662 0.01 . . . . . . . 475 TYR CB . 50259 1 35 . 1 . 1 7 7 TYR N N 15 120.941 0.00 . . . . . . . 475 TYR N . 50259 1 36 . 1 . 1 8 8 MET H H 1 7.945 0.00 . . . . . . . 476 MET H . 50259 1 37 . 1 . 1 8 8 MET C C 13 173.119 0.00 . . . . . . . 476 MET CO . 50259 1 38 . 1 . 1 8 8 MET CA C 13 52.659 0.03 . . . . . . . 476 MET CA . 50259 1 39 . 1 . 1 8 8 MET CB C 13 30.275 0.04 . . . . . . . 476 MET CB . 50259 1 40 . 1 . 1 8 8 MET N N 15 121.933 0.03 . . . . . . . 476 MET N . 50259 1 41 . 1 . 1 9 9 GLU H H 1 8.195 0.00 . . . . . . . 477 GLU H . 50259 1 42 . 1 . 1 9 9 GLU C C 13 173.312 0.00 . . . . . . . 477 GLU CO . 50259 1 43 . 1 . 1 9 9 GLU CA C 13 54.107 0.02 . . . . . . . 477 GLU CA . 50259 1 44 . 1 . 1 9 9 GLU CB C 13 27.649 0.01 . . . . . . . 477 GLU CB . 50259 1 45 . 1 . 1 9 9 GLU N N 15 121.722 0.03 . . . . . . . 477 GLU N . 50259 1 46 . 1 . 1 10 10 ASN H H 1 8.337 0.00 . . . . . . . 478 ASN H . 50259 1 47 . 1 . 1 10 10 ASN C C 13 172.271 0.00 . . . . . . . 478 ASN CO . 50259 1 48 . 1 . 1 10 10 ASN CA C 13 50.499 0.02 . . . . . . . 478 ASN CA . 50259 1 49 . 1 . 1 10 10 ASN CB C 13 36.136 0.02 . . . . . . . 478 ASN CB . 50259 1 50 . 1 . 1 10 10 ASN N N 15 119.394 0.00 . . . . . . . 478 ASN N . 50259 1 51 . 1 . 1 11 11 LEU H H 1 8.164 0.00 . . . . . . . 479 LEU H . 50259 1 52 . 1 . 1 11 11 LEU C C 13 174.799 0.00 . . . . . . . 479 LEU CO . 50259 1 53 . 1 . 1 11 11 LEU CA C 13 52.555 0.05 . . . . . . . 479 LEU CA . 50259 1 54 . 1 . 1 11 11 LEU CB C 13 39.663 0.02 . . . . . . . 479 LEU CB . 50259 1 55 . 1 . 1 11 11 LEU N N 15 122.926 0.00 . . . . . . . 479 LEU N . 50259 1 56 . 1 . 1 12 12 GLU H H 1 8.311 0.00 . . . . . . . 480 GLU H . 50259 1 57 . 1 . 1 12 12 GLU C C 13 173.633 0.00 . . . . . . . 480 GLU CO . 50259 1 58 . 1 . 1 12 12 GLU CA C 13 53.881 0.06 . . . . . . . 480 GLU CA . 50259 1 59 . 1 . 1 12 12 GLU CB C 13 27.301 0.01 . . . . . . . 480 GLU CB . 50259 1 60 . 1 . 1 12 12 GLU N N 15 121.385 0.00 . . . . . . . 480 GLU N . 50259 1 61 . 1 . 1 13 13 CYS H H 1 8.186 0.00 . . . . . . . 481 CYS H . 50259 1 62 . 1 . 1 13 13 CYS C C 13 171.360 0.00 . . . . . . . 481 CYS CO . 50259 1 63 . 1 . 1 13 13 CYS CA C 13 55.565 0.02 . . . . . . . 481 CYS CA . 50259 1 64 . 1 . 1 13 13 CYS CB C 13 25.678 0.02 . . . . . . . 481 CYS CB . 50259 1 65 . 1 . 1 13 13 CYS N N 15 119.694 0.00 . . . . . . . 481 CYS N . 50259 1 66 . 1 . 1 14 14 ASP H H 1 8.382 0.00 . . . . . . . 482 ASP H . 50259 1 67 . 1 . 1 14 14 ASP C C 13 173.692 0.00 . . . . . . . 482 ASP CO . 50259 1 68 . 1 . 1 14 14 ASP CA C 13 51.769 0.04 . . . . . . . 482 ASP CA . 50259 1 69 . 1 . 1 14 14 ASP CB C 13 38.278 0.02 . . . . . . . 482 ASP CB . 50259 1 70 . 1 . 1 14 14 ASP N N 15 123.189 0.00 . . . . . . . 482 ASP N . 50259 1 71 . 1 . 1 15 15 MET H H 1 8.243 0.00 . . . . . . . 483 MET H . 50259 1 72 . 1 . 1 15 15 MET C C 13 173.513 0.00 . . . . . . . 483 MET CO . 50259 1 73 . 1 . 1 15 15 MET CA C 13 52.982 0.02 . . . . . . . 483 MET CA . 50259 1 74 . 1 . 1 15 15 MET CB C 13 30.012 0.04 . . . . . . . 483 MET CB . 50259 1 75 . 1 . 1 15 15 MET N N 15 120.905 0.01 . . . . . . . 483 MET N . 50259 1 76 . 1 . 1 16 16 ASP H H 1 8.270 0.00 . . . . . . . 484 ASP H . 50259 1 77 . 1 . 1 16 16 ASP C C 13 173.307 0.00 . . . . . . . 484 ASP CO . 50259 1 78 . 1 . 1 16 16 ASP CA C 13 52.120 0.14 . . . . . . . 484 ASP CA . 50259 1 79 . 1 . 1 16 16 ASP CB C 13 38.365 0.02 . . . . . . . 484 ASP CB . 50259 1 80 . 1 . 1 16 16 ASP N N 15 120.655 0.02 . . . . . . . 484 ASP N . 50259 1 81 . 1 . 1 17 17 ASN H H 1 8.145 0.00 . . . . . . . 485 ASN H . 50259 1 82 . 1 . 1 17 17 ASN C C 13 172.072 0.00 . . . . . . . 485 ASN CO . 50259 1 83 . 1 . 1 17 17 ASN CA C 13 50.563 0.03 . . . . . . . 485 ASN CA . 50259 1 84 . 1 . 1 17 17 ASN CB C 13 36.278 0.06 . . . . . . . 485 ASN CB . 50259 1 85 . 1 . 1 17 17 ASN N N 15 118.536 0.01 . . . . . . . 485 ASN N . 50259 1 86 . 1 . 1 18 18 ILE H H 1 7.936 0.00 . . . . . . . 486 ILE H . 50259 1 87 . 1 . 1 18 18 ILE C C 13 173.533 0.01 . . . . . . . 486 ILE CO . 50259 1 88 . 1 . 1 18 18 ILE CA C 13 58.524 0.04 . . . . . . . 486 ILE CA . 50259 1 89 . 1 . 1 18 18 ILE CB C 13 35.784 0.09 . . . . . . . 486 ILE CB . 50259 1 90 . 1 . 1 18 18 ILE N N 15 121.268 0.00 . . . . . . . 486 ILE N . 50259 1 91 . 1 . 1 19 19 ILE H H 1 8.203 0.00 . . . . . . . 487 ILE H . 50259 1 92 . 1 . 1 19 19 ILE C C 13 173.516 0.00 . . . . . . . 487 ILE CO . 50259 1 93 . 1 . 1 19 19 ILE CA C 13 58.267 0.04 . . . . . . . 487 ILE CA . 50259 1 94 . 1 . 1 19 19 ILE CB C 13 35.719 0.09 . . . . . . . 487 ILE CB . 50259 1 95 . 1 . 1 19 19 ILE N N 15 125.712 0.01 . . . . . . . 487 ILE N . 50259 1 96 . 1 . 1 20 20 SER H H 1 8.298 0.00 . . . . . . . 488 SER H . 50259 1 97 . 1 . 1 20 20 SER C C 13 171.448 0.01 . . . . . . . 488 SER CO . 50259 1 98 . 1 . 1 20 20 SER CA C 13 55.613 0.03 . . . . . . . 488 SER CA . 50259 1 99 . 1 . 1 20 20 SER CB C 13 61.331 0.03 . . . . . . . 488 SER CB . 50259 1 100 . 1 . 1 20 20 SER N N 15 120.483 0.01 . . . . . . . 488 SER N . 50259 1 101 . 1 . 1 21 21 ASP H H 1 8.270 0.00 . . . . . . . 489 ASP H . 50259 1 102 . 1 . 1 21 21 ASP C C 13 173.310 0.00 . . . . . . . 489 ASP CO . 50259 1 103 . 1 . 1 21 21 ASP CA C 13 51.730 0.01 . . . . . . . 489 ASP CA . 50259 1 104 . 1 . 1 21 21 ASP CB C 13 38.375 0.02 . . . . . . . 489 ASP CB . 50259 1 105 . 1 . 1 21 21 ASP N N 15 122.789 0.01 . . . . . . . 489 ASP N . 50259 1 106 . 1 . 1 22 22 LEU H H 1 8.055 0.00 . . . . . . . 490 LEU H . 50259 1 107 . 1 . 1 22 22 LEU C C 13 174.646 0.00 . . . . . . . 490 LEU CO . 50259 1 108 . 1 . 1 22 22 LEU CA C 13 52.529 0.10 . . . . . . . 490 LEU CA . 50259 1 109 . 1 . 1 22 22 LEU CB C 13 39.468 0.05 . . . . . . . 490 LEU CB . 50259 1 110 . 1 . 1 22 22 LEU N N 15 121.892 0.00 . . . . . . . 490 LEU N . 50259 1 111 . 1 . 1 23 23 MET H H 1 8.264 0.00 . . . . . . . 491 MET H . 50259 1 112 . 1 . 1 23 23 MET C C 13 173.124 0.00 . . . . . . . 491 MET CO . 50259 1 113 . 1 . 1 23 23 MET CA C 13 52.657 0.04 . . . . . . . 491 MET CA . 50259 1 114 . 1 . 1 23 23 MET CB C 13 30.205 0.03 . . . . . . . 491 MET CB . 50259 1 115 . 1 . 1 23 23 MET N N 15 121.131 0.00 . . . . . . . 491 MET N . 50259 1 116 . 1 . 1 24 24 ASP H H 1 8.252 0.00 . . . . . . . 492 ASP H . 50259 1 117 . 1 . 1 24 24 ASP C C 13 173.603 0.00 . . . . . . . 492 ASP CO . 50259 1 118 . 1 . 1 24 24 ASP CA C 13 51.651 0.08 . . . . . . . 492 ASP CA . 50259 1 119 . 1 . 1 24 24 ASP CB C 13 38.682 0.02 . . . . . . . 492 ASP CB . 50259 1 120 . 1 . 1 24 24 ASP N N 15 121.918 0.00 . . . . . . . 492 ASP N . 50259 1 121 . 1 . 1 25 25 GLU H H 1 8.417 0.00 . . . . . . . 493 GLU H . 50259 1 122 . 1 . 1 25 25 GLU C C 13 174.378 0.00 . . . . . . . 493 GLU CO . 50259 1 123 . 1 . 1 25 25 GLU CA C 13 54.198 0.01 . . . . . . . 493 GLU CA . 50259 1 124 . 1 . 1 25 25 GLU CB C 13 27.515 0.01 . . . . . . . 493 GLU CB . 50259 1 125 . 1 . 1 25 25 GLU N N 15 122.028 0.00 . . . . . . . 493 GLU N . 50259 1 126 . 1 . 1 26 26 GLY H H 1 8.384 0.00 . . . . . . . 494 GLY H . 50259 1 127 . 1 . 1 26 26 GLY C C 13 171.530 0.00 . . . . . . . 494 GLY CO . 50259 1 128 . 1 . 1 26 26 GLY CA C 13 42.644 0.00 . . . . . . . 494 GLY CA . 50259 1 129 . 1 . 1 26 26 GLY N N 15 125.482 0.00 . . . . . . . 494 GLY N . 50259 1 130 . 1 . 1 27 27 GLU H H 1 8.225 0.00 . . . . . . . 495 GLU H . 50259 1 131 . 1 . 1 27 27 GLU C C 13 174.369 0.00 . . . . . . . 495 GLU CO . 50259 1 132 . 1 . 1 27 27 GLU CA C 13 53.942 0.04 . . . . . . . 495 GLU CA . 50259 1 133 . 1 . 1 27 27 GLU CB C 13 27.701 0.02 . . . . . . . 495 GLU CB . 50259 1 134 . 1 . 1 27 27 GLU N N 15 120.488 0.00 . . . . . . . 495 GLU N . 50259 1 135 . 1 . 1 28 28 GLY H H 1 8.420 0.00 . . . . . . . 496 GLY H . 50259 1 136 . 1 . 1 28 28 GLY C C 13 171.480 0.00 . . . . . . . 496 GLY CO . 50259 1 137 . 1 . 1 28 28 GLY CA C 13 42.733 0.00 . . . . . . . 496 GLY CA . 50259 1 138 . 1 . 1 28 28 GLY N N 15 125.765 0.00 . . . . . . . 496 GLY N . 50259 1 139 . 1 . 1 29 29 LEU H H 1 7.960 0.00 . . . . . . . 497 LEU H . 50259 1 140 . 1 . 1 29 29 LEU C C 13 174.217 0.00 . . . . . . . 497 LEU CO . 50259 1 141 . 1 . 1 29 29 LEU CA C 13 52.274 0.05 . . . . . . . 497 LEU CA . 50259 1 142 . 1 . 1 29 29 LEU CB C 13 39.692 0.05 . . . . . . . 497 LEU CB . 50259 1 143 . 1 . 1 29 29 LEU N N 15 121.212 0.01 . . . . . . . 497 LEU N . 50259 1 144 . 1 . 1 30 30 ASP H H 1 8.194 0.00 . . . . . . . 498 ASP H . 50259 1 145 . 1 . 1 30 30 ASP C C 13 173.051 0.00 . . . . . . . 498 ASP CO . 50259 1 146 . 1 . 1 30 30 ASP CA C 13 51.345 0.03 . . . . . . . 498 ASP CA . 50259 1 147 . 1 . 1 30 30 ASP CB C 13 38.432 0.03 . . . . . . . 498 ASP CB . 50259 1 148 . 1 . 1 30 30 ASP N N 15 120.525 0.01 . . . . . . . 498 ASP N . 50259 1 149 . 1 . 1 31 31 PHE H H 1 7.973 0.00 . . . . . . . 499 PHE H . 50259 1 150 . 1 . 1 31 31 PHE C C 13 172.405 0.00 . . . . . . . 499 PHE CO . 50259 1 151 . 1 . 1 31 31 PHE CA C 13 54.897 0.02 . . . . . . . 499 PHE CA . 50259 1 152 . 1 . 1 31 31 PHE CB C 13 36.831 0.05 . . . . . . . 499 PHE CB . 50259 1 153 . 1 . 1 31 31 PHE N N 15 120.652 0.01 . . . . . . . 499 PHE N . 50259 1 154 . 1 . 1 32 32 ASN H H 1 8.167 0.00 . . . . . . . 500 ASN H . 50259 1 155 . 1 . 1 32 32 ASN C C 13 171.477 0.00 . . . . . . . 500 ASN CO . 50259 1 156 . 1 . 1 32 32 ASN CA C 13 50.240 0.06 . . . . . . . 500 ASN CA . 50259 1 157 . 1 . 1 32 32 ASN CB C 13 36.431 0.07 . . . . . . . 500 ASN CB . 50259 1 158 . 1 . 1 32 32 ASN N N 15 120.528 0.00 . . . . . . . 500 ASN N . 50259 1 159 . 1 . 1 33 33 PHE H H 1 7.972 0.00 . . . . . . . 501 PHE H . 50259 1 160 . 1 . 1 33 33 PHE C C 13 172.358 0.00 . . . . . . . 501 PHE CO . 50259 1 161 . 1 . 1 33 33 PHE CA C 13 54.852 0.01 . . . . . . . 501 PHE CA . 50259 1 162 . 1 . 1 33 33 PHE CB C 13 36.924 0.09 . . . . . . . 501 PHE CB . 50259 1 163 . 1 . 1 33 33 PHE N N 15 121.169 0.02 . . . . . . . 501 PHE N . 50259 1 164 . 1 . 1 34 34 GLU H H 1 8.160 0.00 . . . . . . . 502 GLU H . 50259 1 165 . 1 . 1 34 34 GLU C C 13 171.088 0.00 . . . . . . . 502 GLU CO . 50259 1 166 . 1 . 1 34 34 GLU CA C 13 51.052 0.00 . . . . . . . 502 GLU CA . 50259 1 167 . 1 . 1 34 34 GLU CB C 13 27.466 0.00 . . . . . . . 502 GLU CB . 50259 1 168 . 1 . 1 34 34 GLU N N 15 124.569 0.00 . . . . . . . 502 GLU N . 50259 1 stop_ save_