################################### # 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 52294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name apoSpBCCP80 _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' . . . 52294 1 2 '3D HNCA' . . . 52294 1 3 '3D HNCACB' . . . 52294 1 4 '3D C(CO)NH' . . . 52294 1 5 '3D CBCACONH' . . . 52294 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 . . 52294 1 2 $software_2 . . 52294 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 7 7 GLU CA C 13 55.766 0.3 . 1 . . . . . 7 GLU CA . 52294 1 2 . 1 . 1 7 7 GLU CB C 13 31.801 0.3 . 1 . . . . . 7 GLU CB . 52294 1 3 . 1 . 1 8 8 GLY H H 1 8.318 0.300 . 1 . . . . . 8 GLY H . 52294 1 4 . 1 . 1 8 8 GLY CA C 13 43.678 0.3 . 1 . . . . . 8 GLY CA . 52294 1 5 . 1 . 1 8 8 GLY N N 15 103.852 0.3 . 1 . . . . . 8 GLY N . 52294 1 6 . 1 . 1 9 9 ASN H H 1 8.397 0.300 . 1 . . . . . 9 ASN H . 52294 1 7 . 1 . 1 9 9 ASN CA C 13 52.209 0.3 . 1 . . . . . 9 ASN CA . 52294 1 8 . 1 . 1 9 9 ASN CB C 13 40.639 0.3 . 1 . . . . . 9 ASN CB . 52294 1 9 . 1 . 1 9 9 ASN N N 15 113.366 0.3 . 1 . . . . . 9 ASN N . 52294 1 10 . 1 . 1 10 10 LEU H H 1 8.740 0.300 . 1 . . . . . 10 LEU H . 52294 1 11 . 1 . 1 10 10 LEU CA C 13 54.355 0.3 . 1 . . . . . 10 LEU CA . 52294 1 12 . 1 . 1 10 10 LEU CB C 13 43.259 0.3 . 1 . . . . . 10 LEU CB . 52294 1 13 . 1 . 1 10 10 LEU N N 15 119.337 0.3 . 1 . . . . . 10 LEU N . 52294 1 14 . 1 . 1 11 11 VAL H H 1 8.849 0.300 . 1 . . . . . 11 VAL H . 52294 1 15 . 1 . 1 11 11 VAL CA C 13 62.001 0.3 . 1 . . . . . 11 VAL CA . 52294 1 16 . 1 . 1 11 11 VAL CB C 13 31.669 0.3 . 1 . . . . . 11 VAL CB . 52294 1 17 . 1 . 1 11 11 VAL N N 15 121.580 0.3 . 1 . . . . . 11 VAL N . 52294 1 18 . 1 . 1 12 12 GLU H H 1 8.809 0.300 . 1 . . . . . 12 GLU H . 52294 1 19 . 1 . 1 12 12 GLU CA C 13 53.746 0.3 . 1 . . . . . 12 GLU CA . 52294 1 20 . 1 . 1 12 12 GLU CB C 13 31.642 0.3 . 1 . . . . . 12 GLU CB . 52294 1 21 . 1 . 1 12 12 GLU N N 15 124.249 0.3 . 1 . . . . . 12 GLU N . 52294 1 22 . 1 . 1 13 13 SER H H 1 8.724 0.300 . 1 . . . . . 13 SER H . 52294 1 23 . 1 . 1 13 13 SER CA C 13 55.810 0.3 . 1 . . . . . 13 SER CA . 52294 1 24 . 1 . 1 13 13 SER CB C 13 64.169 0.3 . 1 . . . . . 13 SER CB . 52294 1 25 . 1 . 1 13 13 SER N N 15 109.290 0.3 . 1 . . . . . 13 SER N . 52294 1 26 . 1 . 1 14 14 PRO CA C 13 62.757 0.3 . 1 . . . . . 14 PRO CA . 52294 1 27 . 1 . 1 14 14 PRO CB C 13 31.335 0.3 . 1 . . . . . 14 PRO CB . 52294 1 28 . 1 . 1 15 15 LEU H H 1 7.605 0.300 . 1 . . . . . 15 LEU H . 52294 1 29 . 1 . 1 15 15 LEU CA C 13 53.826 0.3 . 1 . . . . . 15 LEU CA . 52294 1 30 . 1 . 1 15 15 LEU CB C 13 47.892 0.3 . 1 . . . . . 15 LEU CB . 52294 1 31 . 1 . 1 15 15 LEU N N 15 115.188 0.3 . 1 . . . . . 15 LEU N . 52294 1 32 . 1 . 1 16 16 VAL H H 1 7.715 0.300 . 1 . . . . . 16 VAL H . 52294 1 33 . 1 . 1 16 16 VAL CA C 13 60.341 0.3 . 1 . . . . . 16 VAL CA . 52294 1 34 . 1 . 1 16 16 VAL CB C 13 32.352 0.3 . 1 . . . . . 16 VAL CB . 52294 1 35 . 1 . 1 16 16 VAL N N 15 115.752 0.3 . 1 . . . . . 16 VAL N . 52294 1 36 . 1 . 1 17 17 GLY H H 1 8.042 0.300 . 1 . . . . . 17 GLY H . 52294 1 37 . 1 . 1 17 17 GLY CA C 13 45.412 0.3 . 1 . . . . . 17 GLY CA . 52294 1 38 . 1 . 1 17 17 GLY N N 15 108.647 0.3 . 1 . . . . . 17 GLY N . 52294 1 39 . 1 . 1 18 18 VAL H H 1 8.138 0.300 . 1 . . . . . 18 VAL H . 52294 1 40 . 1 . 1 18 18 VAL CA C 13 61.321 0.3 . 1 . . . . . 18 VAL CA . 52294 1 41 . 1 . 1 18 18 VAL CB C 13 34.100 0.3 . 1 . . . . . 18 VAL CB . 52294 1 42 . 1 . 1 18 18 VAL N N 15 117.439 0.3 . 1 . . . . . 18 VAL N . 52294 1 43 . 1 . 1 19 19 VAL H H 1 8.700 0.300 . 1 . . . . . 19 VAL H . 52294 1 44 . 1 . 1 19 19 VAL CA C 13 60.741 0.3 . 1 . . . . . 19 VAL CA . 52294 1 45 . 1 . 1 19 19 VAL CB C 13 33.500 0.3 . 1 . . . . . 19 VAL CB . 52294 1 46 . 1 . 1 19 19 VAL N N 15 123.166 0.3 . 1 . . . . . 19 VAL N . 52294 1 47 . 1 . 1 20 20 TYR H H 1 9.383 0.300 . 1 . . . . . 20 TYR H . 52294 1 48 . 1 . 1 20 20 TYR CA C 13 56.731 0.3 . 1 . . . . . 20 TYR CA . 52294 1 49 . 1 . 1 20 20 TYR CB C 13 40.964 0.3 . 1 . . . . . 20 TYR CB . 52294 1 50 . 1 . 1 20 20 TYR N N 15 119.189 0.3 . 1 . . . . . 20 TYR N . 52294 1 51 . 1 . 1 21 21 LEU H H 1 8.494 0.300 . 1 . . . . . 21 LEU H . 52294 1 52 . 1 . 1 21 21 LEU CA C 13 54.640 0.3 . 1 . . . . . 21 LEU CA . 52294 1 53 . 1 . 1 21 21 LEU CB C 13 41.281 0.3 . 1 . . . . . 21 LEU CB . 52294 1 54 . 1 . 1 21 21 LEU N N 15 114.478 0.3 . 1 . . . . . 21 LEU N . 52294 1 55 . 1 . 1 22 22 ALA H H 1 8.029 0.300 . 1 . . . . . 22 ALA H . 52294 1 56 . 1 . 1 22 22 ALA CA C 13 49.655 0.3 . 1 . . . . . 22 ALA CA . 52294 1 57 . 1 . 1 22 22 ALA CB C 13 24.269 0.3 . 1 . . . . . 22 ALA CB . 52294 1 58 . 1 . 1 22 22 ALA N N 15 116.730 0.3 . 1 . . . . . 22 ALA N . 52294 1 59 . 1 . 1 23 23 ALA H H 1 8.342 0.300 . 1 . . . . . 23 ALA H . 52294 1 60 . 1 . 1 23 23 ALA CA C 13 52.610 0.3 . 1 . . . . . 23 ALA CA . 52294 1 61 . 1 . 1 23 23 ALA CB C 13 18.518 0.3 . 1 . . . . . 23 ALA CB . 52294 1 62 . 1 . 1 23 23 ALA N N 15 114.838 0.3 . 1 . . . . . 23 ALA N . 52294 1 63 . 1 . 1 24 24 GLY H H 1 7.016 0.300 . 1 . . . . . 24 GLY H . 52294 1 64 . 1 . 1 24 24 GLY CA C 13 44.322 0.3 . 1 . . . . . 24 GLY CA . 52294 1 65 . 1 . 1 24 24 GLY N N 15 99.100 0.3 . 1 . . . . . 24 GLY N . 52294 1 66 . 1 . 1 25 25 PRO CA C 13 63.819 0.3 . 1 . . . . . 25 PRO CA . 52294 1 67 . 1 . 1 25 25 PRO CB C 13 31.501 0.3 . 1 . . . . . 25 PRO CB . 52294 1 68 . 1 . 1 26 26 ASP H H 1 8.632 0.300 . 1 . . . . . 26 ASP H . 52294 1 69 . 1 . 1 26 26 ASP CA C 13 53.140 0.3 . 1 . . . . . 26 ASP CA . 52294 1 70 . 1 . 1 26 26 ASP CB C 13 39.719 0.3 . 1 . . . . . 26 ASP CB . 52294 1 71 . 1 . 1 26 26 ASP N N 15 111.821 0.3 . 1 . . . . . 26 ASP N . 52294 1 72 . 1 . 1 27 27 LYS H H 1 7.099 0.300 . 1 . . . . . 27 LYS H . 52294 1 73 . 1 . 1 27 27 LYS CA C 13 52.108 0.3 . 1 . . . . . 27 LYS CA . 52294 1 74 . 1 . 1 27 27 LYS CB C 13 32.648 0.3 . 1 . . . . . 27 LYS CB . 52294 1 75 . 1 . 1 27 27 LYS N N 15 115.253 0.3 . 1 . . . . . 27 LYS N . 52294 1 76 . 1 . 1 28 28 PRO CA C 13 61.505 0.3 . 1 . . . . . 28 PRO CA . 52294 1 77 . 1 . 1 28 28 PRO CB C 13 31.435 0.3 . 1 . . . . . 28 PRO CB . 52294 1 78 . 1 . 1 29 29 ALA H H 1 8.207 0.300 . 1 . . . . . 29 ALA H . 52294 1 79 . 1 . 1 29 29 ALA CA C 13 51.598 0.3 . 1 . . . . . 29 ALA CA . 52294 1 80 . 1 . 1 29 29 ALA CB C 13 18.560 0.3 . 1 . . . . . 29 ALA CB . 52294 1 81 . 1 . 1 29 29 ALA N N 15 118.429 0.3 . 1 . . . . . 29 ALA N . 52294 1 82 . 1 . 1 30 30 PHE H H 1 8.317 0.300 . 1 . . . . . 30 PHE H . 52294 1 83 . 1 . 1 30 30 PHE CA C 13 61.893 0.3 . 1 . . . . . 30 PHE CA . 52294 1 84 . 1 . 1 30 30 PHE CB C 13 38.747 0.3 . 1 . . . . . 30 PHE CB . 52294 1 85 . 1 . 1 30 30 PHE N N 15 114.903 0.3 . 1 . . . . . 30 PHE N . 52294 1 86 . 1 . 1 31 31 VAL H H 1 7.714 0.300 . 1 . . . . . 31 VAL H . 52294 1 87 . 1 . 1 31 31 VAL CA C 13 58.863 0.3 . 1 . . . . . 31 VAL CA . 52294 1 88 . 1 . 1 31 31 VAL CB C 13 37.186 0.3 . 1 . . . . . 31 VAL CB . 52294 1 89 . 1 . 1 31 31 VAL N N 15 102.319 0.3 . 1 . . . . . 31 VAL N . 52294 1 90 . 1 . 1 32 32 THR H H 1 8.166 0.300 . 1 . . . . . 32 THR H . 52294 1 91 . 1 . 1 32 32 THR CA C 13 60.035 0.3 . 1 . . . . . 32 THR CA . 52294 1 92 . 1 . 1 32 32 THR CB C 13 71.562 0.3 . 1 . . . . . 32 THR CB . 52294 1 93 . 1 . 1 32 32 THR N N 15 110.410 0.3 . 1 . . . . . 32 THR N . 52294 1 94 . 1 . 1 33 33 VAL H H 1 8.316 0.300 . 1 . . . . . 33 VAL H . 52294 1 95 . 1 . 1 33 33 VAL CA C 13 65.894 0.3 . 1 . . . . . 33 VAL CA . 52294 1 96 . 1 . 1 33 33 VAL CB C 13 30.659 0.3 . 1 . . . . . 33 VAL CB . 52294 1 97 . 1 . 1 33 33 VAL N N 15 119.184 0.3 . 1 . . . . . 33 VAL N . 52294 1 98 . 1 . 1 34 34 GLY H H 1 9.164 0.300 . 1 . . . . . 34 GLY H . 52294 1 99 . 1 . 1 34 34 GLY CA C 13 43.882 0.3 . 1 . . . . . 34 GLY CA . 52294 1 100 . 1 . 1 34 34 GLY N N 15 112.589 0.3 . 1 . . . . . 34 GLY N . 52294 1 101 . 1 . 1 35 35 ASP H H 1 8.125 0.300 . 1 . . . . . 35 ASP H . 52294 1 102 . 1 . 1 35 35 ASP CA C 13 54.585 0.3 . 1 . . . . . 35 ASP CA . 52294 1 103 . 1 . 1 35 35 ASP CB C 13 40.837 0.3 . 1 . . . . . 35 ASP CB . 52294 1 104 . 1 . 1 35 35 ASP N N 15 117.568 0.3 . 1 . . . . . 35 ASP N . 52294 1 105 . 1 . 1 36 36 SER H H 1 8.603 0.300 . 1 . . . . . 36 SER H . 52294 1 106 . 1 . 1 36 36 SER CA C 13 57.846 0.3 . 1 . . . . . 36 SER CA . 52294 1 107 . 1 . 1 36 36 SER CB C 13 63.699 0.3 . 1 . . . . . 36 SER CB . 52294 1 108 . 1 . 1 36 36 SER N N 15 112.788 0.3 . 1 . . . . . 36 SER N . 52294 1 109 . 1 . 1 37 37 VAL H H 1 9.247 0.300 . 1 . . . . . 37 VAL H . 52294 1 110 . 1 . 1 37 37 VAL CA C 13 57.854 0.3 . 1 . . . . . 37 VAL CA . 52294 1 111 . 1 . 1 37 37 VAL CB C 13 35.200 0.3 . 1 . . . . . 37 VAL CB . 52294 1 112 . 1 . 1 37 37 VAL N N 15 113.225 0.3 . 1 . . . . . 37 VAL N . 52294 1 113 . 1 . 1 38 38 LYS H H 1 8.016 0.300 . 1 . . . . . 38 LYS H . 52294 1 114 . 1 . 1 38 38 LYS CA C 13 52.316 0.3 . 1 . . . . . 38 LYS CA . 52294 1 115 . 1 . 1 38 38 LYS CB C 13 34.733 0.3 . 1 . . . . . 38 LYS CB . 52294 1 116 . 1 . 1 38 38 LYS N N 15 117.858 0.3 . 1 . . . . . 38 LYS N . 52294 1 117 . 1 . 1 39 39 LYS H H 1 8.951 0.300 . 1 . . . . . 39 LYS H . 52294 1 118 . 1 . 1 39 39 LYS CA C 13 58.095 0.3 . 1 . . . . . 39 LYS CA . 52294 1 119 . 1 . 1 39 39 LYS CB C 13 32.065 0.3 . 1 . . . . . 39 LYS CB . 52294 1 120 . 1 . 1 39 39 LYS N N 15 117.369 0.3 . 1 . . . . . 39 LYS N . 52294 1 121 . 1 . 1 40 40 GLY H H 1 9.111 0.300 . 1 . . . . . 40 GLY H . 52294 1 122 . 1 . 1 40 40 GLY CA C 13 44.469 0.3 . 1 . . . . . 40 GLY CA . 52294 1 123 . 1 . 1 40 40 GLY N N 15 110.907 0.3 . 1 . . . . . 40 GLY N . 52294 1 124 . 1 . 1 41 41 GLN H H 1 8.439 0.300 . 1 . . . . . 41 GLN H . 52294 1 125 . 1 . 1 41 41 GLN CA C 13 55.741 0.3 . 1 . . . . . 41 GLN CA . 52294 1 126 . 1 . 1 41 41 GLN CB C 13 29.711 0.3 . 1 . . . . . 41 GLN CB . 52294 1 127 . 1 . 1 41 41 GLN N N 15 120.155 0.3 . 1 . . . . . 41 GLN N . 52294 1 128 . 1 . 1 42 42 THR H H 1 8.767 0.300 . 1 . . . . . 42 THR H . 52294 1 129 . 1 . 1 42 42 THR CA C 13 65.004 0.3 . 1 . . . . . 42 THR CA . 52294 1 130 . 1 . 1 42 42 THR CB C 13 68.751 0.3 . 1 . . . . . 42 THR CB . 52294 1 131 . 1 . 1 42 42 THR N N 15 119.337 0.3 . 1 . . . . . 42 THR N . 52294 1 132 . 1 . 1 43 43 LEU H H 1 8.808 0.300 . 1 . . . . . 43 LEU H . 52294 1 133 . 1 . 1 43 43 LEU CA C 13 55.314 0.3 . 1 . . . . . 43 LEU CA . 52294 1 134 . 1 . 1 43 43 LEU CB C 13 45.154 0.3 . 1 . . . . . 43 LEU CB . 52294 1 135 . 1 . 1 43 43 LEU N N 15 119.866 0.3 . 1 . . . . . 43 LEU N . 52294 1 136 . 1 . 1 44 44 VAL H H 1 6.813 0.300 . 1 . . . . . 44 VAL H . 52294 1 137 . 1 . 1 44 44 VAL CA C 13 58.013 0.3 . 1 . . . . . 44 VAL CA . 52294 1 138 . 1 . 1 44 44 VAL CB C 13 36.496 0.3 . 1 . . . . . 44 VAL CB . 52294 1 139 . 1 . 1 44 44 VAL N N 15 99.854 0.3 . 1 . . . . . 44 VAL N . 52294 1 140 . 1 . 1 45 45 ILE H H 1 8.644 0.300 . 1 . . . . . 45 ILE H . 52294 1 141 . 1 . 1 45 45 ILE CA C 13 59.110 0.3 . 1 . . . . . 45 ILE CA . 52294 1 142 . 1 . 1 45 45 ILE CB C 13 41.677 0.3 . 1 . . . . . 45 ILE CB . 52294 1 143 . 1 . 1 45 45 ILE N N 15 115.737 0.3 . 1 . . . . . 45 ILE N . 52294 1 144 . 1 . 1 46 46 ILE H H 1 8.947 0.300 . 1 . . . . . 46 ILE H . 52294 1 145 . 1 . 1 46 46 ILE CA C 13 59.116 0.3 . 1 . . . . . 46 ILE CA . 52294 1 146 . 1 . 1 46 46 ILE CB C 13 40.407 0.3 . 1 . . . . . 46 ILE CB . 52294 1 147 . 1 . 1 46 46 ILE N N 15 118.982 0.3 . 1 . . . . . 46 ILE N . 52294 1 148 . 1 . 1 47 47 GLU H H 1 10.053 0.300 . 1 . . . . . 47 GLU H . 52294 1 149 . 1 . 1 47 47 GLU CA C 13 54.955 0.3 . 1 . . . . . 47 GLU CA . 52294 1 150 . 1 . 1 47 47 GLU CB C 13 31.475 0.3 . 1 . . . . . 47 GLU CB . 52294 1 151 . 1 . 1 47 47 GLU N N 15 129.388 0.3 . 1 . . . . . 47 GLU N . 52294 1 152 . 1 . 1 48 48 ALA H H 1 8.713 0.300 . 1 . . . . . 48 ALA H . 52294 1 153 . 1 . 1 48 48 ALA CA C 13 51.547 0.3 . 1 . . . . . 48 ALA CA . 52294 1 154 . 1 . 1 48 48 ALA CB C 13 21.853 0.3 . 1 . . . . . 48 ALA CB . 52294 1 155 . 1 . 1 48 48 ALA N N 15 126.777 0.3 . 1 . . . . . 48 ALA N . 52294 1 156 . 1 . 1 49 49 MET H H 1 9.579 0.300 . 1 . . . . . 49 MET H . 52294 1 157 . 1 . 1 49 49 MET CA C 13 55.841 0.3 . 1 . . . . . 49 MET CA . 52294 1 158 . 1 . 1 49 49 MET CB C 13 29.108 0.3 . 1 . . . . . 49 MET CB . 52294 1 159 . 1 . 1 49 49 MET N N 15 119.617 0.3 . 1 . . . . . 49 MET N . 52294 1 160 . 1 . 1 50 50 LYS H H 1 8.891 0.300 . 1 . . . . . 50 LYS H . 52294 1 161 . 1 . 1 50 50 LYS CA C 13 57.304 0.3 . 1 . . . . . 50 LYS CA . 52294 1 162 . 1 . 1 50 50 LYS CB C 13 29.108 0.3 . 1 . . . . . 50 LYS CB . 52294 1 163 . 1 . 1 50 50 LYS N N 15 103.805 0.3 . 1 . . . . . 50 LYS N . 52294 1 164 . 1 . 1 51 51 VAL H H 1 7.871 0.300 . 1 . . . . . 51 VAL H . 52294 1 165 . 1 . 1 51 51 VAL CA C 13 61.313 0.3 . 1 . . . . . 51 VAL CA . 52294 1 166 . 1 . 1 51 51 VAL CB C 13 33.694 0.3 . 1 . . . . . 51 VAL CB . 52294 1 167 . 1 . 1 51 51 VAL N N 15 117.302 0.3 . 1 . . . . . 51 VAL N . 52294 1 168 . 1 . 1 52 52 MET H H 1 8.617 0.300 . 1 . . . . . 52 MET H . 52294 1 169 . 1 . 1 52 52 MET CA C 13 53.732 0.3 . 1 . . . . . 52 MET CA . 52294 1 170 . 1 . 1 52 52 MET CB C 13 30.960 0.3 . 1 . . . . . 52 MET CB . 52294 1 171 . 1 . 1 52 52 MET N N 15 119.886 0.3 . 1 . . . . . 52 MET N . 52294 1 172 . 1 . 1 53 53 ASN H H 1 8.275 0.300 . 1 . . . . . 53 ASN H . 52294 1 173 . 1 . 1 53 53 ASN CA C 13 52.645 0.3 . 1 . . . . . 53 ASN CA . 52294 1 174 . 1 . 1 53 53 ASN CB C 13 40.410 0.3 . 1 . . . . . 53 ASN CB . 52294 1 175 . 1 . 1 53 53 ASN N N 15 118.483 0.3 . 1 . . . . . 53 ASN N . 52294 1 176 . 1 . 1 54 54 GLU H H 1 9.124 0.300 . 1 . . . . . 54 GLU H . 52294 1 177 . 1 . 1 54 54 GLU CA C 13 56.614 0.3 . 1 . . . . . 54 GLU CA . 52294 1 178 . 1 . 1 54 54 GLU CB C 13 29.137 0.3 . 1 . . . . . 54 GLU CB . 52294 1 179 . 1 . 1 54 54 GLU N N 15 120.379 0.3 . 1 . . . . . 54 GLU N . 52294 1 180 . 1 . 1 55 55 ILE H H 1 8.453 0.300 . 1 . . . . . 55 ILE H . 52294 1 181 . 1 . 1 55 55 ILE CA C 13 54.725 0.3 . 1 . . . . . 55 ILE CA . 52294 1 182 . 1 . 1 55 55 ILE CB C 13 35.310 0.3 . 1 . . . . . 55 ILE CB . 52294 1 183 . 1 . 1 55 55 ILE N N 15 121.939 0.3 . 1 . . . . . 55 ILE N . 52294 1 184 . 1 . 1 56 56 PRO CA C 13 60.382 0.3 . 1 . . . . . 56 PRO CA . 52294 1 185 . 1 . 1 56 56 PRO CB C 13 32.581 0.3 . 1 . . . . . 56 PRO CB . 52294 1 186 . 1 . 1 57 57 ALA H H 1 8.795 0.300 . 1 . . . . . 57 ALA H . 52294 1 187 . 1 . 1 57 57 ALA CA C 13 49.473 0.3 . 1 . . . . . 57 ALA CA . 52294 1 188 . 1 . 1 57 57 ALA CB C 13 16.851 0.3 . 1 . . . . . 57 ALA CB . 52294 1 189 . 1 . 1 57 57 ALA N N 15 117.573 0.3 . 1 . . . . . 57 ALA N . 52294 1 190 . 1 . 1 58 58 PRO CA C 13 63.235 0.3 . 1 . . . . . 58 PRO CA . 52294 1 191 . 1 . 1 58 58 PRO CB C 13 31.640 0.3 . 1 . . . . . 58 PRO CB . 52294 1 192 . 1 . 1 59 59 LYS H H 1 7.113 0.300 . 1 . . . . . 59 LYS H . 52294 1 193 . 1 . 1 59 59 LYS CA C 13 53.553 0.3 . 1 . . . . . 59 LYS CA . 52294 1 194 . 1 . 1 59 59 LYS CB C 13 34.244 0.3 . 1 . . . . . 59 LYS CB . 52294 1 195 . 1 . 1 59 59 LYS N N 15 109.139 0.3 . 1 . . . . . 59 LYS N . 52294 1 196 . 1 . 1 60 60 ASP H H 1 8.194 0.300 . 1 . . . . . 60 ASP H . 52294 1 197 . 1 . 1 60 60 ASP CA C 13 53.089 0.3 . 1 . . . . . 60 ASP CA . 52294 1 198 . 1 . 1 60 60 ASP CB C 13 40.424 0.3 . 1 . . . . . 60 ASP CB . 52294 1 199 . 1 . 1 60 60 ASP N N 15 113.998 0.3 . 1 . . . . . 60 ASP N . 52294 1 200 . 1 . 1 61 61 GLY H H 1 8.193 0.300 . 1 . . . . . 61 GLY H . 52294 1 201 . 1 . 1 61 61 GLY CA C 13 45.856 0.3 . 1 . . . . . 61 GLY CA . 52294 1 202 . 1 . 1 61 61 GLY N N 15 104.699 0.3 . 1 . . . . . 61 GLY N . 52294 1 203 . 1 . 1 62 62 VAL H H 1 8.892 0.300 . 1 . . . . . 62 VAL H . 52294 1 204 . 1 . 1 62 62 VAL CA C 13 59.887 0.3 . 1 . . . . . 62 VAL CA . 52294 1 205 . 1 . 1 62 62 VAL CB C 13 34.901 0.3 . 1 . . . . . 62 VAL CB . 52294 1 206 . 1 . 1 62 62 VAL N N 15 117.077 0.3 . 1 . . . . . 62 VAL N . 52294 1 207 . 1 . 1 63 63 VAL H H 1 8.740 0.300 . 1 . . . . . 63 VAL H . 52294 1 208 . 1 . 1 63 63 VAL CA C 13 62.631 0.3 . 1 . . . . . 63 VAL CA . 52294 1 209 . 1 . 1 63 63 VAL CB C 13 31.334 0.3 . 1 . . . . . 63 VAL CB . 52294 1 210 . 1 . 1 63 63 VAL N N 15 122.287 0.3 . 1 . . . . . 63 VAL N . 52294 1 211 . 1 . 1 64 64 THR H H 1 8.891 0.300 . 1 . . . . . 64 THR H . 52294 1 212 . 1 . 1 64 64 THR CA C 13 61.359 0.3 . 1 . . . . . 64 THR CA . 52294 1 213 . 1 . 1 64 64 THR CB C 13 69.443 0.3 . 1 . . . . . 64 THR CB . 52294 1 214 . 1 . 1 64 64 THR N N 15 116.050 0.3 . 1 . . . . . 64 THR N . 52294 1 215 . 1 . 1 65 65 GLU H H 1 7.359 0.300 . 1 . . . . . 65 GLU H . 52294 1 216 . 1 . 1 65 65 GLU CA C 13 56.271 0.3 . 1 . . . . . 65 GLU CA . 52294 1 217 . 1 . 1 65 65 GLU CB C 13 34.002 0.3 . 1 . . . . . 65 GLU CB . 52294 1 218 . 1 . 1 65 65 GLU N N 15 115.596 0.3 . 1 . . . . . 65 GLU N . 52294 1 219 . 1 . 1 66 66 ILE H H 1 8.973 0.300 . 1 . . . . . 66 ILE H . 52294 1 220 . 1 . 1 66 66 ILE CA C 13 62.122 0.3 . 1 . . . . . 66 ILE CA . 52294 1 221 . 1 . 1 66 66 ILE CB C 13 39.313 0.3 . 1 . . . . . 66 ILE CB . 52294 1 222 . 1 . 1 66 66 ILE N N 15 121.869 0.3 . 1 . . . . . 66 ILE N . 52294 1 223 . 1 . 1 67 67 LEU H H 1 8.166 0.300 . 1 . . . . . 67 LEU H . 52294 1 224 . 1 . 1 67 67 LEU CA C 13 56.736 0.3 . 1 . . . . . 67 LEU CA . 52294 1 225 . 1 . 1 67 67 LEU CB C 13 42.091 0.3 . 1 . . . . . 67 LEU CB . 52294 1 226 . 1 . 1 67 67 LEU N N 15 121.869 0.3 . 1 . . . . . 67 LEU N . 52294 1 227 . 1 . 1 68 68 VAL H H 1 6.894 0.300 . 1 . . . . . 68 VAL H . 52294 1 228 . 1 . 1 68 68 VAL CA C 13 57.865 0.3 . 1 . . . . . 68 VAL CA . 52294 1 229 . 1 . 1 68 68 VAL CB C 13 35.210 0.3 . 1 . . . . . 68 VAL CB . 52294 1 230 . 1 . 1 68 68 VAL N N 15 104.994 0.3 . 1 . . . . . 68 VAL N . 52294 1 231 . 1 . 1 69 69 SER H H 1 8.577 0.300 . 1 . . . . . 69 SER H . 52294 1 232 . 1 . 1 69 69 SER CA C 13 56.324 0.3 . 1 . . . . . 69 SER CA . 52294 1 233 . 1 . 1 69 69 SER CB C 13 65.466 0.3 . 1 . . . . . 69 SER CB . 52294 1 234 . 1 . 1 69 69 SER N N 15 111.265 0.3 . 1 . . . . . 69 SER N . 52294 1 235 . 1 . 1 70 70 ASN H H 1 8.617 0.300 . 1 . . . . . 70 ASN H . 52294 1 236 . 1 . 1 70 70 ASN CA C 13 55.981 0.3 . 1 . . . . . 70 ASN CA . 52294 1 237 . 1 . 1 70 70 ASN CB C 13 39.558 0.3 . 1 . . . . . 70 ASN CB . 52294 1 238 . 1 . 1 70 70 ASN N N 15 114.087 0.3 . 1 . . . . . 70 ASN N . 52294 1 239 . 1 . 1 71 71 GLU H H 1 8.945 0.300 . 1 . . . . . 71 GLU H . 52294 1 240 . 1 . 1 71 71 GLU CA C 13 58.109 0.3 . 1 . . . . . 71 GLU CA . 52294 1 241 . 1 . 1 71 71 GLU CB C 13 26.789 0.3 . 1 . . . . . 71 GLU CB . 52294 1 242 . 1 . 1 71 71 GLU N N 15 115.887 0.3 . 1 . . . . . 71 GLU N . 52294 1 243 . 1 . 1 72 72 GLU H H 1 7.359 0.300 . 1 . . . . . 72 GLU H . 52294 1 244 . 1 . 1 72 72 GLU CA C 13 56.375 0.3 . 1 . . . . . 72 GLU CA . 52294 1 245 . 1 . 1 72 72 GLU CB C 13 31.370 0.3 . 1 . . . . . 72 GLU CB . 52294 1 246 . 1 . 1 72 72 GLU N N 15 117.511 0.3 . 1 . . . . . 72 GLU N . 52294 1 247 . 1 . 1 73 73 MET H H 1 8.508 0.300 . 1 . . . . . 73 MET H . 52294 1 248 . 1 . 1 73 73 MET CA C 13 55.011 0.3 . 1 . . . . . 73 MET CA . 52294 1 249 . 1 . 1 73 73 MET CB C 13 31.476 0.3 . 1 . . . . . 73 MET CB . 52294 1 250 . 1 . 1 73 73 MET N N 15 121.291 0.3 . 1 . . . . . 73 MET N . 52294 1 251 . 1 . 1 74 74 VAL H H 1 9.288 0.300 . 1 . . . . . 74 VAL H . 52294 1 252 . 1 . 1 74 74 VAL CA C 13 58.739 0.3 . 1 . . . . . 74 VAL CA . 52294 1 253 . 1 . 1 74 74 VAL CB C 13 34.901 0.3 . 1 . . . . . 74 VAL CB . 52294 1 254 . 1 . 1 74 74 VAL N N 15 115.737 0.3 . 1 . . . . . 74 VAL N . 52294 1 255 . 1 . 1 75 75 GLU H H 1 7.413 0.300 . 1 . . . . . 75 GLU H . 52294 1 256 . 1 . 1 75 75 GLU CA C 13 53.726 0.3 . 1 . . . . . 75 GLU CA . 52294 1 257 . 1 . 1 75 75 GLU CB C 13 31.339 0.3 . 1 . . . . . 75 GLU CB . 52294 1 258 . 1 . 1 75 75 GLU N N 15 115.172 0.3 . 1 . . . . . 75 GLU N . 52294 1 259 . 1 . 1 76 76 PHE H H 1 7.823 0.300 . 1 . . . . . 76 PHE H . 52294 1 260 . 1 . 1 76 76 PHE CA C 13 59.616 0.3 . 1 . . . . . 76 PHE CA . 52294 1 261 . 1 . 1 76 76 PHE CB C 13 38.830 0.3 . 1 . . . . . 76 PHE CB . 52294 1 262 . 1 . 1 76 76 PHE N N 15 115.391 0.3 . 1 . . . . . 76 PHE N . 52294 1 263 . 1 . 1 77 77 GLY H H 1 8.713 0.300 . 1 . . . . . 77 GLY H . 52294 1 264 . 1 . 1 77 77 GLY CA C 13 44.372 0.3 . 1 . . . . . 77 GLY CA . 52294 1 265 . 1 . 1 77 77 GLY N N 15 111.953 0.3 . 1 . . . . . 77 GLY N . 52294 1 266 . 1 . 1 78 78 LYS H H 1 7.356 0.300 . 1 . . . . . 78 LYS H . 52294 1 267 . 1 . 1 78 78 LYS CA C 13 55.212 0.3 . 1 . . . . . 78 LYS CA . 52294 1 268 . 1 . 1 78 78 LYS CB C 13 33.862 0.3 . 1 . . . . . 78 LYS CB . 52294 1 269 . 1 . 1 78 78 LYS N N 15 116.745 0.3 . 1 . . . . . 78 LYS N . 52294 1 270 . 1 . 1 79 79 GLY H H 1 8.906 0.300 . 1 . . . . . 79 GLY H . 52294 1 271 . 1 . 1 79 79 GLY CA C 13 46.853 0.3 . 1 . . . . . 79 GLY CA . 52294 1 272 . 1 . 1 79 79 GLY N N 15 110.244 0.3 . 1 . . . . . 79 GLY N . 52294 1 273 . 1 . 1 80 80 LEU H H 1 8.925 0.300 . 1 . . . . . 80 LEU H . 52294 1 274 . 1 . 1 80 80 LEU CA C 13 55.767 0.3 . 1 . . . . . 80 LEU CA . 52294 1 275 . 1 . 1 80 80 LEU CB C 13 44.920 0.3 . 1 . . . . . 80 LEU CB . 52294 1 276 . 1 . 1 80 80 LEU N N 15 118.009 0.3 . 1 . . . . . 80 LEU N . 52294 1 277 . 1 . 1 81 81 VAL H H 1 6.881 0.300 . 1 . . . . . 81 VAL H . 52294 1 278 . 1 . 1 81 81 VAL CA C 13 58.738 0.3 . 1 . . . . . 81 VAL CA . 52294 1 279 . 1 . 1 81 81 VAL CB C 13 37.511 0.3 . 1 . . . . . 81 VAL CB . 52294 1 280 . 1 . 1 81 81 VAL N N 15 107.866 0.3 . 1 . . . . . 81 VAL N . 52294 1 281 . 1 . 1 82 82 ARG H H 1 8.863 0.300 . 1 . . . . . 82 ARG H . 52294 1 282 . 1 . 1 82 82 ARG CA C 13 54.735 0.3 . 1 . . . . . 82 ARG CA . 52294 1 283 . 1 . 1 82 82 ARG CB C 13 34.112 0.3 . 1 . . . . . 82 ARG CB . 52294 1 284 . 1 . 1 82 82 ARG N N 15 122.517 0.3 . 1 . . . . . 82 ARG N . 52294 1 285 . 1 . 1 83 83 ILE H H 1 8.522 0.300 . 1 . . . . . 83 ILE H . 52294 1 286 . 1 . 1 83 83 ILE CA C 13 58.852 0.3 . 1 . . . . . 83 ILE CA . 52294 1 287 . 1 . 1 83 83 ILE CB C 13 41.412 0.3 . 1 . . . . . 83 ILE CB . 52294 1 288 . 1 . 1 83 83 ILE N N 15 119.756 0.3 . 1 . . . . . 83 ILE N . 52294 1 289 . 1 . 1 84 84 LYS H H 1 9.397 0.300 . 1 . . . . . 84 LYS H . 52294 1 290 . 1 . 1 84 84 LYS CA C 13 57.346 0.3 . 1 . . . . . 84 LYS CA . 52294 1 291 . 1 . 1 84 84 LYS CB C 13 35.050 0.3 . 1 . . . . . 84 LYS CB . 52294 1 292 . 1 . 1 84 84 LYS N N 15 130.376 0.3 . 1 . . . . . 84 LYS N . 52294 1 stop_ save_