################################### # 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 50916 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shift-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' . . . 50916 1 2 '3D HNCO' . . . 50916 1 3 '3D HNCA' . . . 50916 1 4 '3D HNCACB' . . . 50916 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 . . 50916 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PRO CA C 13 62.901 0.000 . 1 . . . . . 453 PRO CA . 50916 1 2 . 1 . 1 3 3 PRO CB C 13 31.893 0.000 . 1 . . . . . 453 PRO CB . 50916 1 3 . 1 . 1 4 4 GLU H H 1 8.292 0.000 . 1 . . . . . 454 GLU H . 50916 1 4 . 1 . 1 4 4 GLU CA C 13 54.274 0.000 . 1 . . . . . 454 GLU CA . 50916 1 5 . 1 . 1 4 4 GLU CB C 13 29.376 0.000 . 1 . . . . . 454 GLU CB . 50916 1 6 . 1 . 1 4 4 GLU N N 15 123.759 0.000 . 1 . . . . . 454 GLU N . 50916 1 7 . 1 . 1 5 5 PRO C C 13 176.989 0.000 . 1 . . . . . 455 PRO C . 50916 1 8 . 1 . 1 5 5 PRO CA C 13 63.155 0.000 . 1 . . . . . 455 PRO CA . 50916 1 9 . 1 . 1 5 5 PRO CB C 13 31.986 0.000 . 1 . . . . . 455 PRO CB . 50916 1 10 . 1 . 1 6 6 THR H H 1 8.009 0.000 . 1 . . . . . 456 THR H . 50916 1 11 . 1 . 1 6 6 THR C C 13 173.931 0.000 . 1 . . . . . 456 THR C . 50916 1 12 . 1 . 1 6 6 THR CA C 13 61.683 0.000 . 1 . . . . . 456 THR CA . 50916 1 13 . 1 . 1 6 6 THR CB C 13 69.851 0.000 . 1 . . . . . 456 THR CB . 50916 1 14 . 1 . 1 6 6 THR N N 15 115.747 0.000 . 1 . . . . . 456 THR N . 50916 1 15 . 1 . 1 7 7 ALA H H 1 8.084 0.000 . 1 . . . . . 457 ALA H . 50916 1 16 . 1 . 1 7 7 ALA CA C 13 50.434 0.000 . 1 . . . . . 457 ALA CA . 50916 1 17 . 1 . 1 7 7 ALA CB C 13 17.933 0.000 . 1 . . . . . 457 ALA CB . 50916 1 18 . 1 . 1 7 7 ALA N N 15 129.188 0.000 . 1 . . . . . 457 ALA N . 50916 1 19 . 1 . 1 9 9 PRO C C 13 177.225 0.000 . 1 . . . . . 459 PRO C . 50916 1 20 . 1 . 1 9 9 PRO CA C 13 62.994 0.000 . 1 . . . . . 459 PRO CA . 50916 1 21 . 1 . 1 9 9 PRO CB C 13 31.874 0.000 . 1 . . . . . 459 PRO CB . 50916 1 22 . 1 . 1 10 10 GLU H H 1 8.382 0.000 . 1 . . . . . 460 GLU H . 50916 1 23 . 1 . 1 10 10 GLU C C 13 176.889 0.000 . 1 . . . . . 460 GLU C . 50916 1 24 . 1 . 1 10 10 GLU CA C 13 56.958 0.000 . 1 . . . . . 460 GLU CA . 50916 1 25 . 1 . 1 10 10 GLU CB C 13 29.943 0.000 . 1 . . . . . 460 GLU CB . 50916 1 26 . 1 . 1 10 10 GLU N N 15 122.048 0.000 . 1 . . . . . 460 GLU N . 50916 1 27 . 1 . 1 11 11 GLU H H 1 8.258 0.000 . 1 . . . . . 461 GLU H . 50916 1 28 . 1 . 1 11 11 GLU C C 13 176.626 0.000 . 1 . . . . . 461 GLU C . 50916 1 29 . 1 . 1 11 11 GLU CA C 13 56.857 0.000 . 1 . . . . . 461 GLU CA . 50916 1 30 . 1 . 1 11 11 GLU CB C 13 30.129 0.000 . 1 . . . . . 461 GLU CB . 50916 1 31 . 1 . 1 11 11 GLU N N 15 122.948 0.000 . 1 . . . . . 461 GLU N . 50916 1 32 . 1 . 1 12 12 SER H H 1 8.026 0.000 . 1 . . . . . 462 SER H . 50916 1 33 . 1 . 1 12 12 SER C C 13 174.348 0.000 . 1 . . . . . 462 SER C . 50916 1 34 . 1 . 1 12 12 SER CA C 13 58.594 0.000 . 1 . . . . . 462 SER CA . 50916 1 35 . 1 . 1 12 12 SER CB C 13 63.656 0.000 . 1 . . . . . 462 SER CB . 50916 1 36 . 1 . 1 12 12 SER N N 15 117.589 0.000 . 1 . . . . . 462 SER N . 50916 1 37 . 1 . 1 13 13 PHE H H 1 7.926 0.000 . 1 . . . . . 463 PHE H . 50916 1 38 . 1 . 1 13 13 PHE C C 13 175.611 0.000 . 1 . . . . . 463 PHE C . 50916 1 39 . 1 . 1 13 13 PHE CA C 13 57.913 0.000 . 1 . . . . . 463 PHE CA . 50916 1 40 . 1 . 1 13 13 PHE CB C 13 39.157 0.000 . 1 . . . . . 463 PHE CB . 50916 1 41 . 1 . 1 13 13 PHE N N 15 122.864 0.000 . 1 . . . . . 463 PHE N . 50916 1 42 . 1 . 1 14 14 ARG H H 1 7.844 0.000 . 1 . . . . . 464 ARG H . 50916 1 43 . 1 . 1 14 14 ARG CA C 13 55.793 0.000 . 1 . . . . . 464 ARG CA . 50916 1 44 . 1 . 1 14 14 ARG CB C 13 30.804 0.000 . 1 . . . . . 464 ARG CB . 50916 1 45 . 1 . 1 14 14 ARG N N 15 124.207 0.000 . 1 . . . . . 464 ARG N . 50916 1 46 . 1 . 1 15 15 SER H H 1 8.116 0.000 . 1 . . . . . 465 SER H . 50916 1 47 . 1 . 1 15 15 SER C C 13 175.033 0.000 . 1 . . . . . 465 SER C . 50916 1 48 . 1 . 1 15 15 SER CA C 13 58.405 0.000 . 1 . . . . . 465 SER CA . 50916 1 49 . 1 . 1 15 15 SER CB C 13 63.723 0.000 . 1 . . . . . 465 SER CB . 50916 1 50 . 1 . 1 15 15 SER N N 15 118.311 0.000 . 1 . . . . . 465 SER N . 50916 1 51 . 1 . 1 16 16 GLY H H 1 8.229 0.000 . 1 . . . . . 466 GLY H . 50916 1 52 . 1 . 1 16 16 GLY C C 13 174.099 0.000 . 1 . . . . . 466 GLY C . 50916 1 53 . 1 . 1 16 16 GLY CA C 13 45.186 0.000 . 1 . . . . . 466 GLY CA . 50916 1 54 . 1 . 1 16 16 GLY N N 15 111.977 0.000 . 1 . . . . . 466 GLY N . 50916 1 55 . 1 . 1 17 17 VAL H H 1 7.699 0.000 . 1 . . . . . 467 VAL H . 50916 1 56 . 1 . 1 17 17 VAL C C 13 176.190 0.000 . 1 . . . . . 467 VAL C . 50916 1 57 . 1 . 1 17 17 VAL CA C 13 62.209 0.000 . 1 . . . . . 467 VAL CA . 50916 1 58 . 1 . 1 17 17 VAL CB C 13 32.503 0.000 . 1 . . . . . 467 VAL CB . 50916 1 59 . 1 . 1 17 17 VAL N N 15 119.729 0.000 . 1 . . . . . 467 VAL N . 50916 1 60 . 1 . 1 18 18 GLU H H 1 8.361 0.000 . 1 . . . . . 468 GLU H . 50916 1 61 . 1 . 1 18 18 GLU CA C 13 56.518 0.000 . 1 . . . . . 468 GLU CA . 50916 1 62 . 1 . 1 18 18 GLU CB C 13 30.022 0.000 . 1 . . . . . 468 GLU CB . 50916 1 63 . 1 . 1 18 18 GLU N N 15 125.710 0.000 . 1 . . . . . 468 GLU N . 50916 1 64 . 1 . 1 19 19 THR H H 1 8.081 0.000 . 1 . . . . . 469 THR H . 50916 1 65 . 1 . 1 19 19 THR C C 13 174.368 0.000 . 1 . . . . . 469 THR C . 50916 1 66 . 1 . 1 19 19 THR CA C 13 61.757 0.000 . 1 . . . . . 469 THR CA . 50916 1 67 . 1 . 1 19 19 THR CB C 13 69.703 0.000 . 1 . . . . . 469 THR CB . 50916 1 68 . 1 . 1 19 19 THR N N 15 116.993 0.000 . 1 . . . . . 469 THR N . 50916 1 69 . 1 . 1 20 20 THR H H 1 8.083 0.000 . 1 . . . . . 470 THR H . 50916 1 70 . 1 . 1 20 20 THR CA C 13 59.949 0.000 . 1 . . . . . 470 THR CA . 50916 1 71 . 1 . 1 20 20 THR CB C 13 69.784 0.000 . 1 . . . . . 470 THR CB . 50916 1 72 . 1 . 1 20 20 THR N N 15 121.250 0.000 . 1 . . . . . 470 THR N . 50916 1 73 . 1 . 1 21 21 THR H H 1 7.985 0.000 . 1 . . . . . 471 THR H . 50916 1 74 . 1 . 1 21 21 THR CA C 13 61.756 0.000 . 1 . . . . . 471 THR CA . 50916 1 75 . 1 . 1 21 21 THR CB C 13 69.842 0.000 . 1 . . . . . 471 THR CB . 50916 1 76 . 1 . 1 21 21 THR N N 15 117.736 0.000 . 1 . . . . . 471 THR N . 50916 1 77 . 1 . 1 23 23 PRO CA C 13 62.817 0.000 . 1 . . . . . 473 PRO CA . 50916 1 78 . 1 . 1 23 23 PRO CB C 13 31.893 0.000 . 1 . . . . . 473 PRO CB . 50916 1 79 . 1 . 1 24 24 GLN H H 1 8.261 0.000 . 1 . . . . . 474 GLN H . 50916 1 80 . 1 . 1 24 24 GLN C C 13 175.887 0.000 . 1 . . . . . 474 GLN C . 50916 1 81 . 1 . 1 24 24 GLN CA C 13 55.599 0.000 . 1 . . . . . 474 GLN CA . 50916 1 82 . 1 . 1 24 24 GLN CB C 13 29.443 0.000 . 1 . . . . . 474 GLN CB . 50916 1 83 . 1 . 1 24 24 GLN N N 15 121.784 0.000 . 1 . . . . . 474 GLN N . 50916 1 84 . 1 . 1 25 25 LYS H H 1 8.229 0.000 . 1 . . . . . 475 LYS H . 50916 1 85 . 1 . 1 25 25 LYS CA C 13 56.240 0.000 . 1 . . . . . 475 LYS CA . 50916 1 86 . 1 . 1 25 25 LYS CB C 13 32.914 0.000 . 1 . . . . . 475 LYS CB . 50916 1 87 . 1 . 1 25 25 LYS N N 15 124.657 0.000 . 1 . . . . . 475 LYS N . 50916 1 88 . 1 . 1 26 26 GLN H H 1 8.275 0.000 . 1 . . . . . 476 GLN H . 50916 1 89 . 1 . 1 26 26 GLN C C 13 175.524 0.000 . 1 . . . . . 476 GLN C . 50916 1 90 . 1 . 1 26 26 GLN CA C 13 55.345 0.000 . 1 . . . . . 476 GLN CA . 50916 1 91 . 1 . 1 26 26 GLN N N 15 123.805 0.000 . 1 . . . . . 476 GLN N . 50916 1 92 . 1 . 1 27 27 GLU H H 1 8.329 0.000 . 1 . . . . . 477 GLU H . 50916 1 93 . 1 . 1 27 27 GLU CA C 13 54.305 0.000 . 1 . . . . . 477 GLU CA . 50916 1 94 . 1 . 1 27 27 GLU CB C 13 29.417 0.000 . 1 . . . . . 477 GLU CB . 50916 1 95 . 1 . 1 27 27 GLU N N 15 125.613 0.000 . 1 . . . . . 477 GLU N . 50916 1 96 . 1 . 1 28 28 PRO C C 13 176.821 0.000 . 1 . . . . . 478 PRO C . 50916 1 97 . 1 . 1 28 28 PRO CA C 13 62.963 0.000 . 1 . . . . . 478 PRO CA . 50916 1 98 . 1 . 1 28 28 PRO CB C 13 31.865 0.000 . 1 . . . . . 478 PRO CB . 50916 1 99 . 1 . 1 29 29 ILE H H 1 8.013 0.000 . 1 . . . . . 479 ILE H . 50916 1 100 . 1 . 1 29 29 ILE C C 13 175.948 0.000 . 1 . . . . . 479 ILE C . 50916 1 101 . 1 . 1 29 29 ILE CA C 13 61.113 0.000 . 1 . . . . . 479 ILE CA . 50916 1 102 . 1 . 1 29 29 ILE CB C 13 38.822 0.000 . 1 . . . . . 479 ILE CB . 50916 1 103 . 1 . 1 29 29 ILE N N 15 121.835 0.000 . 1 . . . . . 479 ILE N . 50916 1 104 . 1 . 1 30 30 ASP H H 1 8.130 0.000 . 1 . . . . . 480 ASP H . 50916 1 105 . 1 . 1 30 30 ASP C C 13 176.163 0.000 . 1 . . . . . 480 ASP C . 50916 1 106 . 1 . 1 30 30 ASP CA C 13 54.186 0.000 . 1 . . . . . 480 ASP CA . 50916 1 107 . 1 . 1 30 30 ASP CB C 13 40.900 0.000 . 1 . . . . . 480 ASP CB . 50916 1 108 . 1 . 1 30 30 ASP N N 15 125.121 0.000 . 1 . . . . . 480 ASP N . 50916 1 109 . 1 . 1 31 31 LYS H H 1 8.013 0.000 . 1 . . . . . 481 LYS H . 50916 1 110 . 1 . 1 31 31 LYS C C 13 176.606 0.000 . 1 . . . . . 481 LYS C . 50916 1 111 . 1 . 1 31 31 LYS CA C 13 56.669 0.000 . 1 . . . . . 481 LYS CA . 50916 1 112 . 1 . 1 31 31 LYS CB C 13 32.623 0.000 . 1 . . . . . 481 LYS CB . 50916 1 113 . 1 . 1 31 31 LYS N N 15 123.220 0.000 . 1 . . . . . 481 LYS N . 50916 1 114 . 1 . 1 32 32 GLU H H 1 8.104 0.000 . 1 . . . . . 482 GLU H . 50916 1 115 . 1 . 1 32 32 GLU C C 13 176.257 0.000 . 1 . . . . . 482 GLU C . 50916 1 116 . 1 . 1 32 32 GLU CA C 13 56.512 0.000 . 1 . . . . . 482 GLU CA . 50916 1 117 . 1 . 1 32 32 GLU CB C 13 29.684 0.000 . 1 . . . . . 482 GLU CB . 50916 1 118 . 1 . 1 32 32 GLU N N 15 121.764 0.000 . 1 . . . . . 482 GLU N . 50916 1 119 . 1 . 1 33 33 LEU H H 1 7.720 0.000 . 1 . . . . . 483 LEU H . 50916 1 120 . 1 . 1 33 33 LEU C C 13 176.593 0.000 . 1 . . . . . 483 LEU C . 50916 1 121 . 1 . 1 33 33 LEU CA C 13 55.189 0.000 . 1 . . . . . 483 LEU CA . 50916 1 122 . 1 . 1 33 33 LEU CB C 13 42.309 0.000 . 1 . . . . . 483 LEU CB . 50916 1 123 . 1 . 1 33 33 LEU N N 15 123.109 0.000 . 1 . . . . . 483 LEU N . 50916 1 124 . 1 . 1 34 34 TYR H H 1 7.823 0.000 . 1 . . . . . 484 TYR H . 50916 1 125 . 1 . 1 34 34 TYR CA C 13 55.446 0.000 . 1 . . . . . 484 TYR CA . 50916 1 126 . 1 . 1 34 34 TYR CB C 13 37.930 0.000 . 1 . . . . . 484 TYR CB . 50916 1 127 . 1 . 1 34 34 TYR N N 15 120.965 0.000 . 1 . . . . . 484 TYR N . 50916 1 128 . 1 . 1 35 35 PRO C C 13 176.983 0.000 . 1 . . . . . 485 PRO C . 50916 1 129 . 1 . 1 35 35 PRO CA C 13 63.089 0.000 . 1 . . . . . 485 PRO CA . 50916 1 130 . 1 . 1 35 35 PRO CB C 13 31.931 0.000 . 1 . . . . . 485 PRO CB . 50916 1 131 . 1 . 1 36 36 LEU H H 1 8.214 0.000 . 1 . . . . . 486 LEU H . 50916 1 132 . 1 . 1 36 36 LEU C C 13 177.702 0.000 . 1 . . . . . 486 LEU C . 50916 1 133 . 1 . 1 36 36 LEU CA C 13 55.599 0.000 . 1 . . . . . 486 LEU CA . 50916 1 134 . 1 . 1 36 36 LEU CB C 13 41.958 0.000 . 1 . . . . . 486 LEU CB . 50916 1 135 . 1 . 1 36 36 LEU N N 15 122.805 0.000 . 1 . . . . . 486 LEU N . 50916 1 136 . 1 . 1 37 37 THR H H 1 7.783 0.000 . 1 . . . . . 487 THR H . 50916 1 137 . 1 . 1 37 37 THR CA C 13 62.088 0.000 . 1 . . . . . 487 THR CA . 50916 1 138 . 1 . 1 37 37 THR CB C 13 69.637 0.000 . 1 . . . . . 487 THR CB . 50916 1 139 . 1 . 1 37 37 THR N N 15 114.636 0.000 . 1 . . . . . 487 THR N . 50916 1 140 . 1 . 1 39 39 LEU CA C 13 55.353 0.000 . 1 . . . . . 489 LEU CA . 50916 1 141 . 1 . 1 39 39 LEU CB C 13 41.941 0.000 . 1 . . . . . 489 LEU CB . 50916 1 142 . 1 . 1 40 40 ARG H H 1 7.987 0.000 . 1 . . . . . 490 ARG H . 50916 1 143 . 1 . 1 40 40 ARG CA C 13 56.219 0.000 . 1 . . . . . 490 ARG CA . 50916 1 144 . 1 . 1 40 40 ARG CB C 13 30.431 0.000 . 1 . . . . . 490 ARG CB . 50916 1 145 . 1 . 1 40 40 ARG N N 15 122.279 0.000 . 1 . . . . . 490 ARG N . 50916 1 146 . 1 . 1 41 41 SER C C 13 174.590 0.000 . 1 . . . . . 491 SER C . 50916 1 147 . 1 . 1 41 41 SER CA C 13 58.377 0.000 . 1 . . . . . 491 SER CA . 50916 1 148 . 1 . 1 41 41 SER CB C 13 63.769 0.000 . 1 . . . . . 491 SER CB . 50916 1 149 . 1 . 1 42 42 LEU H H 1 7.977 0.000 . 1 . . . . . 492 LEU H . 50916 1 150 . 1 . 1 42 42 LEU C C 13 177.117 0.000 . 1 . . . . . 492 LEU C . 50916 1 151 . 1 . 1 42 42 LEU CA C 13 55.399 0.000 . 1 . . . . . 492 LEU CA . 50916 1 152 . 1 . 1 42 42 LEU CB C 13 41.950 0.000 . 1 . . . . . 492 LEU CB . 50916 1 153 . 1 . 1 42 42 LEU N N 15 124.880 0.000 . 1 . . . . . 492 LEU N . 50916 1 154 . 1 . 1 43 43 PHE H H 1 7.878 0.000 . 1 . . . . . 493 PHE H . 50916 1 155 . 1 . 1 43 43 PHE CA C 13 57.587 0.000 . 1 . . . . . 493 PHE CA . 50916 1 156 . 1 . 1 43 43 PHE CB C 13 39.422 0.000 . 1 . . . . . 493 PHE CB . 50916 1 157 . 1 . 1 43 43 PHE N N 15 120.130 0.000 . 1 . . . . . 493 PHE N . 50916 1 158 . 1 . 1 44 44 GLY H H 1 7.962 0.000 . 1 . . . . . 494 GLY H . 50916 1 159 . 1 . 1 44 44 GLY CA C 13 45.186 0.000 . 1 . . . . . 494 GLY CA . 50916 1 160 . 1 . 1 44 44 GLY N N 15 110.809 0.000 . 1 . . . . . 494 GLY N . 50916 1 161 . 1 . 1 45 45 ASN H H 1 7.996 0.000 . 1 . . . . . 495 ASN H . 50916 1 162 . 1 . 1 45 45 ASN CA C 13 52.796 0.000 . 1 . . . . . 495 ASN CA . 50916 1 163 . 1 . 1 45 45 ASN CB C 13 39.100 0.000 . 1 . . . . . 495 ASN CB . 50916 1 164 . 1 . 1 45 45 ASN N N 15 119.016 0.000 . 1 . . . . . 495 ASN N . 50916 1 165 . 1 . 1 46 46 ASP H H 1 8.144 0.000 . 1 . . . . . 496 ASP H . 50916 1 166 . 1 . 1 46 46 ASP CA C 13 52.140 0.000 . 1 . . . . . 496 ASP CA . 50916 1 167 . 1 . 1 46 46 ASP CB C 13 40.921 0.000 . 1 . . . . . 496 ASP CB . 50916 1 168 . 1 . 1 46 46 ASP N N 15 122.637 0.000 . 1 . . . . . 496 ASP N . 50916 1 169 . 1 . 1 47 47 PRO CB C 13 31.893 0.000 . 1 . . . . . 497 PRO CB . 50916 1 170 . 1 . 1 48 48 SER H H 1 8.187 0.000 . 1 . . . . . 498 SER H . 50916 1 171 . 1 . 1 48 48 SER CA C 13 58.976 0.000 . 1 . . . . . 498 SER CA . 50916 1 172 . 1 . 1 48 48 SER CB C 13 63.611 0.000 . 1 . . . . . 498 SER CB . 50916 1 173 . 1 . 1 48 48 SER N N 15 116.115 0.000 . 1 . . . . . 498 SER N . 50916 1 174 . 1 . 1 49 49 SER H H 1 7.847 0.000 . 1 . . . . . 499 SER H . 50916 1 175 . 1 . 1 49 49 SER CA C 13 58.314 0.000 . 1 . . . . . 499 SER CA . 50916 1 176 . 1 . 1 49 49 SER CB C 13 63.810 0.000 . 1 . . . . . 499 SER CB . 50916 1 177 . 1 . 1 49 49 SER N N 15 118.717 0.000 . 1 . . . . . 499 SER N . 50916 1 178 . 1 . 1 50 50 GLN H H 1 7.644 0.000 . 1 . . . . . 500 GLN H . 50916 1 179 . 1 . 1 50 50 GLN CA C 13 57.320 0.000 . 1 . . . . . 500 GLN CA . 50916 1 180 . 1 . 1 50 50 GLN CB C 13 30.171 0.000 . 1 . . . . . 500 GLN CB . 50916 1 181 . 1 . 1 50 50 GLN N N 15 127.567 0.000 . 1 . . . . . 500 GLN N . 50916 1 stop_ save_