################################### # 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 50093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 HSQC . . . 50093 1 2 HNCACB . . . 50093 1 3 HNcoCANH . . . 50093 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 . . 50093 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 CA C 13 46.32 . . 1 . . . . . 77 GLY CA . 50093 1 2 . 1 . 1 2 2 ASP H H 1 7.68 . . 1 . . . . . 78 ASP H . 50093 1 3 . 1 . 1 2 2 ASP CA C 13 58.26 . . 1 . . . . . 78 ASP CA . 50093 1 4 . 1 . 1 2 2 ASP CB C 13 41.35 . . 1 . . . . . 78 ASP CB . 50093 1 5 . 1 . 1 2 2 ASP N N 15 120.90 . . 1 . . . . . 78 ASP N . 50093 1 6 . 1 . 1 4 4 LEU CA C 13 57.63 . . 1 . . . . . 80 LEU CA . 50093 1 7 . 1 . 1 4 4 LEU CB C 13 41.38 . . 1 . . . . . 80 LEU CB . 50093 1 8 . 1 . 1 5 5 LYS H H 1 8.03 . . 1 . . . . . 81 LYS H . 50093 1 9 . 1 . 1 5 5 LYS CA C 13 59.46 . . 1 . . . . . 81 LYS CA . 50093 1 10 . 1 . 1 5 5 LYS CB C 13 31.96 . . 1 . . . . . 81 LYS CB . 50093 1 11 . 1 . 1 5 5 LYS N N 15 119.25 . . 1 . . . . . 81 LYS N . 50093 1 12 . 1 . 1 6 6 PHE H H 1 7.67 . . 1 . . . . . 82 PHE H . 50093 1 13 . 1 . 1 6 6 PHE CA C 13 60.62 . . 1 . . . . . 82 PHE CA . 50093 1 14 . 1 . 1 6 6 PHE CB C 13 38.84 . . 1 . . . . . 82 PHE CB . 50093 1 15 . 1 . 1 6 6 PHE N N 15 118.86 . . 1 . . . . . 82 PHE N . 50093 1 16 . 1 . 1 7 7 LEU H H 1 8.05 . . 1 . . . . . 83 LEU H . 50093 1 17 . 1 . 1 7 7 LEU CA C 13 57.62 . . 1 . . . . . 83 LEU CA . 50093 1 18 . 1 . 1 7 7 LEU CB C 13 42.01 . . 1 . . . . . 83 LEU CB . 50093 1 19 . 1 . 1 7 7 LEU N N 15 119.80 . . 1 . . . . . 83 LEU N . 50093 1 20 . 1 . 1 8 8 PHE H H 1 8.39 . . 1 . . . . . 84 PHE H . 50093 1 21 . 1 . 1 8 8 PHE CA C 13 62.56 . . 1 . . . . . 84 PHE CA . 50093 1 22 . 1 . 1 8 8 PHE CB C 13 40.12 . . 1 . . . . . 84 PHE CB . 50093 1 23 . 1 . 1 8 8 PHE N N 15 118.18 . . 1 . . . . . 84 PHE N . 50093 1 24 . 1 . 1 9 9 GLN H H 1 7.68 . . 1 . . . . . 85 GLN H . 50093 1 25 . 1 . 1 9 9 GLN CA C 13 58.32 . . 1 . . . . . 85 GLN CA . 50093 1 26 . 1 . 1 9 9 GLN CB C 13 28.41 . . 1 . . . . . 85 GLN CB . 50093 1 27 . 1 . 1 9 9 GLN N N 15 114.48 . . 1 . . . . . 85 GLN N . 50093 1 28 . 1 . 1 10 10 VAL H H 1 7.54 . . 1 . . . . . 86 VAL H . 50093 1 29 . 1 . 1 10 10 VAL CA C 13 65.11 . . 1 . . . . . 86 VAL CA . 50093 1 30 . 1 . 1 10 10 VAL CB C 13 31.46 . . 1 . . . . . 86 VAL CB . 50093 1 31 . 1 . 1 10 10 VAL N N 15 117.78 . . 1 . . . . . 86 VAL N . 50093 1 32 . 1 . 1 11 11 TYR H H 1 7.47 . . 1 . . . . . 87 TYR H . 50093 1 33 . 1 . 1 11 11 TYR CA C 13 59.35 . . 1 . . . . . 87 TYR CA . 50093 1 34 . 1 . 1 11 11 TYR CB C 13 38.19 . . 1 . . . . . 87 TYR CB . 50093 1 35 . 1 . 1 11 11 TYR N N 15 115.73 . . 1 . . . . . 87 TYR N . 50093 1 36 . 1 . 1 12 12 ASP CA C 13 52.75 . . 1 . . . . . 88 ASP CA . 50093 1 37 . 1 . 1 12 12 ASP CB C 13 38.24 . . 1 . . . . . 88 ASP CB . 50093 1 38 . 1 . 1 13 13 ILE H H 1 7.66 . . 1 . . . . . 89 ILE H . 50093 1 39 . 1 . 1 13 13 ILE CA C 13 64.44 . . 1 . . . . . 89 ILE CA . 50093 1 40 . 1 . 1 13 13 ILE CB C 13 38.29 . . 1 . . . . . 89 ILE CB . 50093 1 41 . 1 . 1 13 13 ILE N N 15 122.92 . . 1 . . . . . 89 ILE N . 50093 1 42 . 1 . 1 14 14 ASP H H 1 8.10 . . 1 . . . . . 90 ASP H . 50093 1 43 . 1 . 1 14 14 ASP CA C 13 52.69 . . 1 . . . . . 90 ASP CA . 50093 1 44 . 1 . 1 14 14 ASP CB C 13 40.08 . . 1 . . . . . 90 ASP CB . 50093 1 45 . 1 . 1 14 14 ASP N N 15 116.22 . . 1 . . . . . 90 ASP N . 50093 1 46 . 1 . 1 15 15 GLY H H 1 7.89 . . 1 . . . . . 91 GLY H . 50093 1 47 . 1 . 1 15 15 GLY CA C 13 46.99 . . 1 . . . . . 91 GLY CA . 50093 1 48 . 1 . 1 15 15 GLY N N 15 109.38 . . 1 . . . . . 91 GLY N . 50093 1 49 . 1 . 1 16 16 SER H H 1 8.47 . . 1 . . . . . 92 SER H . 50093 1 50 . 1 . 1 16 16 SER CA C 13 60.07 . . 1 . . . . . 92 SER CA . 50093 1 51 . 1 . 1 16 16 SER CB C 13 65.01 . . 1 . . . . . 92 SER CB . 50093 1 52 . 1 . 1 16 16 SER N N 15 116.16 . . 1 . . . . . 92 SER N . 50093 1 53 . 1 . 1 17 17 GLY H H 1 10.95 . . 1 . . . . . 93 GLY H . 50093 1 54 . 1 . 1 17 17 GLY CA C 13 45.73 . . 1 . . . . . 93 GLY CA . 50093 1 55 . 1 . 1 17 17 GLY N N 15 116.97 . . 1 . . . . . 93 GLY N . 50093 1 56 . 1 . 1 18 18 SER H H 1 7.68 . . 1 . . . . . 94 SER H . 50093 1 57 . 1 . 1 18 18 SER CA C 13 56.86 . . 1 . . . . . 94 SER CA . 50093 1 58 . 1 . 1 18 18 SER CB C 13 65.41 . . 1 . . . . . 94 SER CB . 50093 1 59 . 1 . 1 18 18 SER N N 15 111.03 . . 1 . . . . . 94 SER N . 50093 1 60 . 1 . 1 19 19 ILE H H 1 9.95 . . 1 . . . . . 95 ILE H . 50093 1 61 . 1 . 1 19 19 ILE CA C 13 58.78 . . 1 . . . . . 95 ILE CA . 50093 1 62 . 1 . 1 19 19 ILE N N 15 128.78 . . 1 . . . . . 95 ILE N . 50093 1 63 . 1 . 1 20 20 ASP H H 1 8.93 . . 1 . . . . . 96 ASP H . 50093 1 64 . 1 . 1 20 20 ASP CA C 13 52.71 . . 1 . . . . . 96 ASP CA . 50093 1 65 . 1 . 1 20 20 ASP CB C 13 40.74 . . 1 . . . . . 96 ASP CB . 50093 1 66 . 1 . 1 20 20 ASP N N 15 130.11 . . 1 . . . . . 96 ASP N . 50093 1 67 . 1 . 1 26 26 THR H H 1 7.55 . . 1 . . . . . 102 THR H . 50093 1 68 . 1 . 1 26 26 THR CA C 13 66.91 . . 1 . . . . . 102 THR CA . 50093 1 69 . 1 . 1 26 26 THR CB C 13 68.74 . . 1 . . . . . 102 THR CB . 50093 1 70 . 1 . 1 26 26 THR N N 15 114.12 . . 1 . . . . . 102 THR N . 50093 1 71 . 1 . 1 27 27 VAL H H 1 7.85 . . 1 . . . . . 103 VAL H . 50093 1 72 . 1 . 1 27 27 VAL CA C 13 66.94 . . 1 . . . . . 103 VAL CA . 50093 1 73 . 1 . 1 27 27 VAL CB C 13 31.43 . . 1 . . . . . 103 VAL CB . 50093 1 74 . 1 . 1 27 27 VAL N N 15 123.72 . . 1 . . . . . 103 VAL N . 50093 1 75 . 1 . 1 28 28 LEU H H 1 8.51 . . 1 . . . . . 104 LEU H . 50093 1 76 . 1 . 1 28 28 LEU CA C 13 58.30 . . 1 . . . . . 104 LEU CA . 50093 1 77 . 1 . 1 28 28 LEU CB C 13 41.38 . . 1 . . . . . 104 LEU CB . 50093 1 78 . 1 . 1 28 28 LEU N N 15 120.48 . . 1 . . . . . 104 LEU N . 50093 1 79 . 1 . 1 29 29 GLN H H 1 8.66 . . 1 . . . . . 105 GLN H . 50093 1 80 . 1 . 1 29 29 GLN CA C 13 59.82 . . 1 . . . . . 105 GLN CA . 50093 1 81 . 1 . 1 29 29 GLN CB C 13 29.47 . . 1 . . . . . 105 GLN CB . 50093 1 82 . 1 . 1 29 29 GLN N N 15 117.86 . . 1 . . . . . 105 GLN N . 50093 1 83 . 1 . 1 30 30 SER H H 1 7.88 . . 1 . . . . . 106 SER H . 50093 1 84 . 1 . 1 30 30 SER CA C 13 61.87 . . 1 . . . . . 106 SER CA . 50093 1 85 . 1 . 1 30 30 SER CB C 13 63.24 . . 1 . . . . . 106 SER CB . 50093 1 86 . 1 . 1 30 30 SER N N 15 114.89 . . 1 . . . . . 106 SER N . 50093 1 87 . 1 . 1 31 31 CYS H H 1 8.19 . . 1 . . . . . 107 CYS H . 50093 1 88 . 1 . 1 31 31 CYS CA C 13 63.14 . . 1 . . . . . 107 CYS CA . 50093 1 89 . 1 . 1 31 31 CYS CB C 13 26.98 . . 1 . . . . . 107 CYS CB . 50093 1 90 . 1 . 1 31 31 CYS N N 15 120.59 . . 1 . . . . . 107 CYS N . 50093 1 91 . 1 . 1 32 32 LEU H H 1 8.44 . . 1 . . . . . 108 LEU H . 50093 1 92 . 1 . 1 32 32 LEU CA C 13 58.16 . . 1 . . . . . 108 LEU CA . 50093 1 93 . 1 . 1 32 32 LEU CB C 13 40.73 . . 1 . . . . . 108 LEU CB . 50093 1 94 . 1 . 1 32 32 LEU N N 15 120.94 . . 1 . . . . . 108 LEU N . 50093 1 95 . 1 . 1 33 33 ARG H H 1 7.95 . . 1 . . . . . 109 ARG H . 50093 1 96 . 1 . 1 33 33 ARG CA C 13 59.46 . . 1 . . . . . 109 ARG CA . 50093 1 97 . 1 . 1 33 33 ARG CB C 13 29.99 . . 1 . . . . . 109 ARG CB . 50093 1 98 . 1 . 1 33 33 ARG N N 15 119.92 . . 1 . . . . . 109 ARG N . 50093 1 99 . 1 . 1 34 34 GLU H H 1 8.02 . . 1 . . . . . 110 GLU H . 50093 1 100 . 1 . 1 34 34 GLU CA C 13 58.75 . . 1 . . . . . 110 GLU CA . 50093 1 101 . 1 . 1 34 34 GLU CB C 13 29.54 . . 1 . . . . . 110 GLU CB . 50093 1 102 . 1 . 1 34 34 GLU N N 15 119.85 . . 1 . . . . . 110 GLU N . 50093 1 103 . 1 . 1 35 35 SER H H 1 7.56 . . 1 . . . . . 111 SER H . 50093 1 104 . 1 . 1 35 35 SER CA C 13 58.77 . . 1 . . . . . 111 SER CA . 50093 1 105 . 1 . 1 35 35 SER CB C 13 64.43 . . 1 . . . . . 111 SER CB . 50093 1 106 . 1 . 1 35 35 SER N N 15 114.10 . . 1 . . . . . 111 SER N . 50093 1 107 . 1 . 1 36 36 ALA H H 1 8.03 . . 1 . . . . . 112 ALA H . 50093 1 108 . 1 . 1 36 36 ALA CA C 13 53.21 . . 1 . . . . . 112 ALA CA . 50093 1 109 . 1 . 1 36 36 ALA CB C 13 17.01 . . 1 . . . . . 112 ALA CB . 50093 1 110 . 1 . 1 36 36 ALA N N 15 121.32 . . 1 . . . . . 112 ALA N . 50093 1 111 . 1 . 1 37 37 ILE H H 1 7.88 . . 1 . . . . . 113 ILE H . 50093 1 112 . 1 . 1 37 37 ILE CA C 13 60.74 . . 1 . . . . . 113 ILE CA . 50093 1 113 . 1 . 1 37 37 ILE CB C 13 39.47 . . 1 . . . . . 113 ILE CB . 50093 1 114 . 1 . 1 37 37 ILE N N 15 118.91 . . 1 . . . . . 113 ILE N . 50093 1 115 . 1 . 1 38 38 SER H H 1 8.32 . . 1 . . . . . 114 SER H . 50093 1 116 . 1 . 1 38 38 SER CA C 13 56.99 . . 1 . . . . . 114 SER CA . 50093 1 117 . 1 . 1 38 38 SER CB C 13 63.81 . . 1 . . . . . 114 SER CB . 50093 1 118 . 1 . 1 38 38 SER N N 15 121.26 . . 1 . . . . . 114 SER N . 50093 1 119 . 1 . 1 39 39 LEU H H 1 8.53 . . 1 . . . . . 115 LEU H . 50093 1 120 . 1 . 1 39 39 LEU CA C 13 52.02 . . 1 . . . . . 115 LEU CA . 50093 1 121 . 1 . 1 39 39 LEU CB C 13 44.23 . . 1 . . . . . 115 LEU CB . 50093 1 122 . 1 . 1 39 39 LEU N N 15 126.12 . . 1 . . . . . 115 LEU N . 50093 1 123 . 1 . 1 40 40 PRO CA C 13 62.54 . . 1 . . . . . 116 PRO CA . 50093 1 124 . 1 . 1 40 40 PRO CB C 13 32.55 . . 1 . . . . . 116 PRO CB . 50093 1 125 . 1 . 1 41 41 ASP H H 1 8.83 . . 1 . . . . . 117 ASP H . 50093 1 126 . 1 . 1 41 41 ASP CA C 13 58.38 . . 1 . . . . . 117 ASP CA . 50093 1 127 . 1 . 1 41 41 ASP CB C 13 40.42 . . 1 . . . . . 117 ASP CB . 50093 1 128 . 1 . 1 41 41 ASP N N 15 124.14 . . 1 . . . . . 117 ASP N . 50093 1 129 . 1 . 1 42 42 GLU H H 1 9.25 . . 1 . . . . . 118 GLU H . 50093 1 130 . 1 . 1 42 42 GLU CA C 13 59.67 . . 1 . . . . . 118 GLU CA . 50093 1 131 . 1 . 1 42 42 GLU CB C 13 28.83 . . 1 . . . . . 118 GLU CB . 50093 1 132 . 1 . 1 42 42 GLU N N 15 117.12 . . 1 . . . . . 118 GLU N . 50093 1 133 . 1 . 1 43 43 LYS H H 1 7.09 . . 1 . . . . . 119 LYS H . 50093 1 134 . 1 . 1 43 43 LYS CA C 13 57.56 . . 1 . . . . . 119 LYS CA . 50093 1 135 . 1 . 1 43 43 LYS CB C 13 32.11 . . 1 . . . . . 119 LYS CB . 50093 1 136 . 1 . 1 43 43 LYS N N 15 118.51 . . 1 . . . . . 119 LYS N . 50093 1 137 . 1 . 1 44 44 LEU H H 1 8.01 . . 1 . . . . . 120 LEU H . 50093 1 138 . 1 . 1 44 44 LEU CA C 13 58.27 . . 1 . . . . . 120 LEU CA . 50093 1 139 . 1 . 1 44 44 LEU CB C 13 40.88 . . 1 . . . . . 120 LEU CB . 50093 1 140 . 1 . 1 44 44 LEU N N 15 122.59 . . 1 . . . . . 120 LEU N . 50093 1 141 . 1 . 1 45 45 ASP H H 1 8.68 . . 1 . . . . . 121 ASP H . 50093 1 142 . 1 . 1 45 45 ASP CA C 13 58.30 . . 1 . . . . . 121 ASP CA . 50093 1 143 . 1 . 1 45 45 ASP CB C 13 40.01 . . 1 . . . . . 121 ASP CB . 50093 1 144 . 1 . 1 45 45 ASP N N 15 122.76 . . 1 . . . . . 121 ASP N . 50093 1 145 . 1 . 1 46 46 GLN H H 1 7.45 . . 1 . . . . . 122 GLN H . 50093 1 146 . 1 . 1 46 46 GLN CA C 13 59.46 . . 1 . . . . . 122 GLN CA . 50093 1 147 . 1 . 1 46 46 GLN CB C 13 28.26 . . 1 . . . . . 122 GLN CB . 50093 1 148 . 1 . 1 46 46 GLN N N 15 119.06 . . 1 . . . . . 122 GLN N . 50093 1 149 . 1 . 1 47 47 LEU H H 1 8.29 . . 1 . . . . . 123 LEU H . 50093 1 150 . 1 . 1 47 47 LEU CA C 13 58.22 . . 1 . . . . . 123 LEU CA . 50093 1 151 . 1 . 1 47 47 LEU CB C 13 42.62 . . 1 . . . . . 123 LEU CB . 50093 1 152 . 1 . 1 47 47 LEU N N 15 121.55 . . 1 . . . . . 123 LEU N . 50093 1 153 . 1 . 1 49 49 LEU H H 1 7.68 . . 1 . . . . . 125 LEU H . 50093 1 154 . 1 . 1 49 49 LEU CA C 13 58.24 . . 1 . . . . . 125 LEU CA . 50093 1 155 . 1 . 1 49 49 LEU CB C 13 41.54 . . 1 . . . . . 125 LEU CB . 50093 1 156 . 1 . 1 49 49 LEU N N 15 120.43 . . 1 . . . . . 125 LEU N . 50093 1 157 . 1 . 1 50 50 ALA H H 1 7.83 . . 1 . . . . . 126 ALA H . 50093 1 158 . 1 . 1 50 50 ALA CA C 13 55.12 . . 1 . . . . . 126 ALA CA . 50093 1 159 . 1 . 1 50 50 ALA CB C 13 18.28 . . 1 . . . . . 126 ALA CB . 50093 1 160 . 1 . 1 50 50 ALA N N 15 121.11 . . 1 . . . . . 126 ALA N . 50093 1 161 . 1 . 1 51 51 LEU H H 1 8.30 . . 1 . . . . . 127 LEU H . 50093 1 162 . 1 . 1 51 51 LEU CA C 13 58.20 . . 1 . . . . . 127 LEU CA . 50093 1 163 . 1 . 1 51 51 LEU CB C 13 41.38 . . 1 . . . . . 127 LEU CB . 50093 1 164 . 1 . 1 51 51 LEU N N 15 119.97 . . 1 . . . . . 127 LEU N . 50093 1 165 . 1 . 1 52 52 PHE H H 1 8.68 . . 1 . . . . . 128 PHE H . 50093 1 166 . 1 . 1 52 52 PHE CA C 13 62.57 . . 1 . . . . . 128 PHE CA . 50093 1 167 . 1 . 1 52 52 PHE CB C 13 39.49 . . 1 . . . . . 128 PHE CB . 50093 1 168 . 1 . 1 52 52 PHE N N 15 120.41 . . 1 . . . . . 128 PHE N . 50093 1 169 . 1 . 1 53 53 GLU H H 1 8.09 . . 1 . . . . . 129 GLU H . 50093 1 170 . 1 . 1 53 53 GLU CA C 13 59.40 . . 1 . . . . . 129 GLU CA . 50093 1 171 . 1 . 1 53 53 GLU CB C 13 29.51 . . 1 . . . . . 129 GLU CB . 50093 1 172 . 1 . 1 53 53 GLU N N 15 115.08 . . 1 . . . . . 129 GLU N . 50093 1 173 . 1 . 1 54 54 SER H H 1 7.36 . . 1 . . . . . 130 SER H . 50093 1 174 . 1 . 1 54 54 SER CA C 13 60.69 . . 1 . . . . . 130 SER CA . 50093 1 175 . 1 . 1 54 54 SER CB C 13 63.21 . . 1 . . . . . 130 SER CB . 50093 1 176 . 1 . 1 54 54 SER N N 15 111.02 . . 1 . . . . . 130 SER N . 50093 1 177 . 1 . 1 55 55 ALA H H 1 8.02 . . 1 . . . . . 131 ALA H . 50093 1 178 . 1 . 1 55 55 ALA CA C 13 52.62 . . 1 . . . . . 131 ALA CA . 50093 1 179 . 1 . 1 55 55 ALA CB C 13 18.95 . . 1 . . . . . 131 ALA CB . 50093 1 180 . 1 . 1 55 55 ALA N N 15 119.22 . . 1 . . . . . 131 ALA N . 50093 1 181 . 1 . 1 56 56 ASP H H 1 7.77 . . 1 . . . . . 132 ASP H . 50093 1 182 . 1 . 1 56 56 ASP CA C 13 53.10 . . 1 . . . . . 132 ASP CA . 50093 1 183 . 1 . 1 56 56 ASP CB C 13 38.32 . . 1 . . . . . 132 ASP CB . 50093 1 184 . 1 . 1 56 56 ASP N N 15 116.32 . . 1 . . . . . 132 ASP N . 50093 1 185 . 1 . 1 57 57 ALA H H 1 7.93 . . 1 . . . . . 133 ALA H . 50093 1 186 . 1 . 1 57 57 ALA CA C 13 55.19 . . 1 . . . . . 133 ALA CA . 50093 1 187 . 1 . 1 57 57 ALA CB C 13 19.43 . . 1 . . . . . 133 ALA CB . 50093 1 188 . 1 . 1 57 57 ALA N N 15 131.12 . . 1 . . . . . 133 ALA N . 50093 1 189 . 1 . 1 58 58 ASP H H 1 7.99 . . 1 . . . . . 134 ASP H . 50093 1 190 . 1 . 1 58 58 ASP CA C 13 52.74 . . 1 . . . . . 134 ASP CA . 50093 1 191 . 1 . 1 58 58 ASP CB C 13 39.49 . . 1 . . . . . 134 ASP CB . 50093 1 192 . 1 . 1 58 58 ASP N N 15 112.83 . . 1 . . . . . 134 ASP N . 50093 1 193 . 1 . 1 59 59 GLY H H 1 7.77 . . 1 . . . . . 135 GLY H . 50093 1 194 . 1 . 1 59 59 GLY CA C 13 47.21 . . 1 . . . . . 135 GLY CA . 50093 1 195 . 1 . 1 59 59 GLY N N 15 108.91 . . 1 . . . . . 135 GLY N . 50093 1 196 . 1 . 1 60 60 ASN H H 1 8.10 . . 1 . . . . . 136 ASN H . 50093 1 197 . 1 . 1 60 60 ASN CA C 13 52.69 . . 1 . . . . . 136 ASN CA . 50093 1 198 . 1 . 1 60 60 ASN CB C 13 38.19 . . 1 . . . . . 136 ASN CB . 50093 1 199 . 1 . 1 60 60 ASN N N 15 118.61 . . 1 . . . . . 136 ASN N . 50093 1 200 . 1 . 1 61 61 GLY H H 1 10.78 . . 1 . . . . . 137 GLY H . 50093 1 201 . 1 . 1 61 61 GLY CA C 13 45.86 . . 1 . . . . . 137 GLY CA . 50093 1 202 . 1 . 1 61 61 GLY N N 15 113.69 . . 1 . . . . . 137 GLY N . 50093 1 203 . 1 . 1 62 62 ALA H H 1 7.67 . . 1 . . . . . 138 ALA H . 50093 1 204 . 1 . 1 62 62 ALA CA C 13 51.31 . . 1 . . . . . 138 ALA CA . 50093 1 205 . 1 . 1 62 62 ALA CB C 13 22.48 . . 1 . . . . . 138 ALA CB . 50093 1 206 . 1 . 1 62 62 ALA N N 15 122.03 . . 1 . . . . . 138 ALA N . 50093 1 207 . 1 . 1 63 63 ILE H H 1 9.34 . . 1 . . . . . 139 ILE H . 50093 1 208 . 1 . 1 63 63 ILE CA C 13 59.62 . . 1 . . . . . 139 ILE CA . 50093 1 209 . 1 . 1 63 63 ILE CB C 13 38.75 . . 1 . . . . . 139 ILE CB . 50093 1 210 . 1 . 1 63 63 ILE N N 15 125.89 . . 1 . . . . . 139 ILE N . 50093 1 211 . 1 . 1 64 64 THR H H 1 9.16 . . 1 . . . . . 140 THR H . 50093 1 212 . 1 . 1 64 64 THR CA C 13 61.11 . . 1 . . . . . 140 THR CA . 50093 1 213 . 1 . 1 64 64 THR CB C 13 71.11 . . 1 . . . . . 140 THR CB . 50093 1 214 . 1 . 1 64 64 THR N N 15 120.12 . . 1 . . . . . 140 THR N . 50093 1 215 . 1 . 1 65 65 PHE H H 1 9.00 . . 1 . . . . . 141 PHE H . 50093 1 216 . 1 . 1 65 65 PHE CA C 13 62.45 . . 1 . . . . . 141 PHE CA . 50093 1 217 . 1 . 1 65 65 PHE CB C 13 38.26 . . 1 . . . . . 141 PHE CB . 50093 1 218 . 1 . 1 65 65 PHE N N 15 122.10 . . 1 . . . . . 141 PHE N . 50093 1 219 . 1 . 1 66 66 GLU H H 1 8.80 . . 1 . . . . . 142 GLU H . 50093 1 220 . 1 . 1 66 66 GLU CA C 13 61.05 . . 1 . . . . . 142 GLU CA . 50093 1 221 . 1 . 1 66 66 GLU CB C 13 28.35 . . 1 . . . . . 142 GLU CB . 50093 1 222 . 1 . 1 66 66 GLU N N 15 117.09 . . 1 . . . . . 142 GLU N . 50093 1 223 . 1 . 1 67 67 GLU H H 1 7.36 . . 1 . . . . . 143 GLU H . 50093 1 224 . 1 . 1 67 67 GLU CA C 13 58.69 . . 1 . . . . . 143 GLU CA . 50093 1 225 . 1 . 1 67 67 GLU CB C 13 29.74 . . 1 . . . . . 143 GLU CB . 50093 1 226 . 1 . 1 67 67 GLU N N 15 117.73 . . 1 . . . . . 143 GLU N . 50093 1 227 . 1 . 1 68 68 LEU H H 1 8.25 . . 1 . . . . . 144 LEU H . 50093 1 228 . 1 . 1 68 68 LEU CA C 13 58.14 . . 1 . . . . . 144 LEU CA . 50093 1 229 . 1 . 1 68 68 LEU CB C 13 41.28 . . 1 . . . . . 144 LEU CB . 50093 1 230 . 1 . 1 68 68 LEU N N 15 121.65 . . 1 . . . . . 144 LEU N . 50093 1 231 . 1 . 1 73 73 GLN CA C 13 58.19 . . 1 . . . . . 149 GLN CA . 50093 1 232 . 1 . 1 73 73 GLN CB C 13 28.29 . . 1 . . . . . 149 GLN CB . 50093 1 233 . 1 . 1 74 74 ARG H H 1 7.55 . . 1 . . . . . 150 ARG H . 50093 1 234 . 1 . 1 74 74 ARG CA C 13 57.55 . . 1 . . . . . 150 ARG CA . 50093 1 235 . 1 . 1 74 74 ARG CB C 13 31.27 . . 1 . . . . . 150 ARG CB . 50093 1 236 . 1 . 1 74 74 ARG N N 15 117.35 . . 1 . . . . . 150 ARG N . 50093 1 237 . 1 . 1 80 80 GLU CA C 13 58.80 . . 1 . . . . . 156 GLU CA . 50093 1 238 . 1 . 1 80 80 GLU CB C 13 29.52 . . 1 . . . . . 156 GLU CB . 50093 1 239 . 1 . 1 81 81 ASN H H 1 7.88 . . 1 . . . . . 157 ASN H . 50093 1 240 . 1 . 1 81 81 ASN CA C 13 54.46 . . 1 . . . . . 157 ASN CA . 50093 1 241 . 1 . 1 81 81 ASN CB C 13 38.88 . . 1 . . . . . 157 ASN CB . 50093 1 242 . 1 . 1 81 81 ASN N N 15 116.31 . . 1 . . . . . 157 ASN N . 50093 1 243 . 1 . 1 82 82 LEU H H 1 7.77 . . 1 . . . . . 158 LEU H . 50093 1 244 . 1 . 1 82 82 LEU CA C 13 55.78 . . 1 . . . . . 158 LEU CA . 50093 1 245 . 1 . 1 82 82 LEU CB C 13 42.53 . . 1 . . . . . 158 LEU CB . 50093 1 246 . 1 . 1 82 82 LEU N N 15 119.97 . . 1 . . . . . 158 LEU N . 50093 1 247 . 1 . 1 83 83 THR H H 1 7.88 . . 1 . . . . . 159 THR H . 50093 1 248 . 1 . 1 83 83 THR CB C 13 69.56 . . 1 . . . . . 159 THR CB . 50093 1 249 . 1 . 1 83 83 THR N N 15 113.12 . . 1 . . . . . 159 THR N . 50093 1 250 . 1 . 1 84 84 ILE H H 1 7.85 . . 1 . . . . . 160 ILE H . 50093 1 251 . 1 . 1 84 84 ILE CA C 13 61.81 . . 1 . . . . . 160 ILE CA . 50093 1 252 . 1 . 1 84 84 ILE CB C 13 38.80 . . 1 . . . . . 160 ILE CB . 50093 1 253 . 1 . 1 84 84 ILE N N 15 122.05 . . 1 . . . . . 160 ILE N . 50093 1 254 . 1 . 1 85 85 SER H H 1 8.17 . . 1 . . . . . 161 SER H . 50093 1 255 . 1 . 1 85 85 SER CA C 13 58.65 . . 1 . . . . . 161 SER CA . 50093 1 256 . 1 . 1 85 85 SER CB C 13 63.82 . . 1 . . . . . 161 SER CB . 50093 1 257 . 1 . 1 85 85 SER N N 15 118.76 . . 1 . . . . . 161 SER N . 50093 1 258 . 1 . 1 86 86 ALA H H 1 8.13 . . 1 . . . . . 162 ALA H . 50093 1 259 . 1 . 1 86 86 ALA CA C 13 52.62 . . 1 . . . . . 162 ALA CA . 50093 1 260 . 1 . 1 86 86 ALA CB C 13 19.43 . . 1 . . . . . 162 ALA CB . 50093 1 261 . 1 . 1 86 86 ALA N N 15 125.52 . . 1 . . . . . 162 ALA N . 50093 1 262 . 1 . 1 87 87 ALA H H 1 7.99 . . 1 . . . . . 163 ALA H . 50093 1 263 . 1 . 1 87 87 ALA CA C 13 52.51 . . 1 . . . . . 163 ALA CA . 50093 1 264 . 1 . 1 87 87 ALA CB C 13 19.40 . . 1 . . . . . 163 ALA CB . 50093 1 265 . 1 . 1 87 87 ALA N N 15 123.10 . . 1 . . . . . 163 ALA N . 50093 1 266 . 1 . 1 88 88 ALA H H 1 7.71 . . 1 . . . . . 164 ALA H . 50093 1 267 . 1 . 1 88 88 ALA CA C 13 53.84 . . 1 . . . . . 164 ALA CA . 50093 1 268 . 1 . 1 88 88 ALA CB C 13 20.13 . . 1 . . . . . 164 ALA CB . 50093 1 269 . 1 . 1 88 88 ALA N N 15 128.82 . . 1 . . . . . 164 ALA N . 50093 1 stop_ save_