################################### # 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 50836 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Mg2+-CaM _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' . . . 50836 1 2 '2D 1H-15N HSQC' . . . 50836 1 3 '2D 1H-15N HSQC' . . . 50836 1 4 '3D HNCA' . . . 50836 1 5 '3D HN(CO)CA' . . . 50836 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 . . 50836 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 GLN H H 1 8.13 0 . 1 . . . . . 3 GLN H . 50836 1 2 . 1 . 1 3 3 GLN CA C 13 54.92 0 . 1 . . . . . 3 GLN CA . 50836 1 3 . 1 . 1 3 3 GLN N N 15 119.57 0 . 1 . . . . . 3 GLN N . 50836 1 4 . 1 . 1 4 4 LEU H H 1 8.23 0 . 1 . . . . . 4 LEU H . 50836 1 5 . 1 . 1 4 4 LEU CA C 13 53.78 0 . 1 . . . . . 4 LEU CA . 50836 1 6 . 1 . 1 4 4 LEU N N 15 122.69 0 . 1 . . . . . 4 LEU N . 50836 1 7 . 1 . 1 5 5 THR H H 1 8.71 0 . 1 . . . . . 5 THR H . 50836 1 8 . 1 . 1 5 5 THR CA C 13 59.95 0 . 1 . . . . . 5 THR CA . 50836 1 9 . 1 . 1 5 5 THR N N 15 113.72 0 . 1 . . . . . 5 THR N . 50836 1 10 . 1 . 1 6 6 GLU H H 1 8.98 0 . 1 . . . . . 6 GLU H . 50836 1 11 . 1 . 1 6 6 GLU CA C 13 59.66 0 . 1 . . . . . 6 GLU CA . 50836 1 12 . 1 . 1 6 6 GLU N N 15 121.24 0 . 1 . . . . . 6 GLU N . 50836 1 13 . 1 . 1 7 7 GLU H H 1 8.66 0 . 1 . . . . . 7 GLU H . 50836 1 14 . 1 . 1 7 7 GLU CA C 13 59.74 0 . 1 . . . . . 7 GLU CA . 50836 1 15 . 1 . 1 7 7 GLU N N 15 120.24 0 . 1 . . . . . 7 GLU N . 50836 1 16 . 1 . 1 8 8 GLN H H 1 7.68 0 . 1 . . . . . 8 GLN H . 50836 1 17 . 1 . 1 8 8 GLN CA C 13 58.15 0 . 1 . . . . . 8 GLN CA . 50836 1 18 . 1 . 1 8 8 GLN N N 15 121.41 0 . 1 . . . . . 8 GLN N . 50836 1 19 . 1 . 1 9 9 ILE H H 1 8.22 0 . 1 . . . . . 9 ILE H . 50836 1 20 . 1 . 1 9 9 ILE CA C 13 66.33 0 . 1 . . . . . 9 ILE CA . 50836 1 21 . 1 . 1 9 9 ILE N N 15 119.43 0 . 1 . . . . . 9 ILE N . 50836 1 22 . 1 . 1 10 10 ALA H H 1 7.89 0 . 1 . . . . . 10 ALA H . 50836 1 23 . 1 . 1 10 10 ALA CA C 13 54.87 0 . 1 . . . . . 10 ALA CA . 50836 1 24 . 1 . 1 10 10 ALA N N 15 121.09 0 . 1 . . . . . 10 ALA N . 50836 1 25 . 1 . 1 11 11 GLU H H 1 7.73 0 . 1 . . . . . 11 GLU H . 50836 1 26 . 1 . 1 11 11 GLU CA C 13 58.92 0 . 1 . . . . . 11 GLU CA . 50836 1 27 . 1 . 1 11 11 GLU N N 15 121.06 0 . 1 . . . . . 11 GLU N . 50836 1 28 . 1 . 1 12 12 PHE H H 1 8.67 0 . 1 . . . . . 12 PHE H . 50836 1 29 . 1 . 1 12 12 PHE CA C 13 57.96 0 . 1 . . . . . 12 PHE CA . 50836 1 30 . 1 . 1 12 12 PHE N N 15 121.17 0 . 1 . . . . . 12 PHE N . 50836 1 31 . 1 . 1 13 13 LYS H H 1 9.26 0 . 1 . . . . . 13 LYS H . 50836 1 32 . 1 . 1 13 13 LYS CA C 13 59.37 0 . 1 . . . . . 13 LYS CA . 50836 1 33 . 1 . 1 13 13 LYS N N 15 122.71 0 . 1 . . . . . 13 LYS N . 50836 1 34 . 1 . 1 14 14 GLU H H 1 8.06 0 . 1 . . . . . 14 GLU H . 50836 1 35 . 1 . 1 14 14 GLU CA C 13 59.13 0 . 1 . . . . . 14 GLU CA . 50836 1 36 . 1 . 1 14 14 GLU N N 15 121.26 0 . 1 . . . . . 14 GLU N . 50836 1 37 . 1 . 1 15 15 ALA H H 1 7.69 0 . 1 . . . . . 15 ALA H . 50836 1 38 . 1 . 1 15 15 ALA CA C 13 54.77 0 . 1 . . . . . 15 ALA CA . 50836 1 39 . 1 . 1 15 15 ALA N N 15 121.96 0 . 1 . . . . . 15 ALA N . 50836 1 40 . 1 . 1 16 16 PHE H H 1 8.54 0 . 1 . . . . . 16 PHE H . 50836 1 41 . 1 . 1 16 16 PHE CA C 13 61.78 0 . 1 . . . . . 16 PHE CA . 50836 1 42 . 1 . 1 16 16 PHE N N 15 118.46 0 . 1 . . . . . 16 PHE N . 50836 1 43 . 1 . 1 17 17 SER H H 1 8.49 0 . 1 . . . . . 17 SER H . 50836 1 44 . 1 . 1 17 17 SER CA C 13 61.54 0 . 1 . . . . . 17 SER CA . 50836 1 45 . 1 . 1 17 17 SER N N 15 112.62 0 . 1 . . . . . 17 SER N . 50836 1 46 . 1 . 1 18 18 LEU H H 1 7.49 0 . 1 . . . . . 18 LEU H . 50836 1 47 . 1 . 1 18 18 LEU CA C 13 56.79 0 . 1 . . . . . 18 LEU CA . 50836 1 48 . 1 . 1 18 18 LEU N N 15 122.08 0 . 1 . . . . . 18 LEU N . 50836 1 49 . 1 . 1 19 19 PHE H H 1 7.09 0 . 1 . . . . . 19 PHE H . 50836 1 50 . 1 . 1 19 19 PHE CA C 13 58.76 0 . 1 . . . . . 19 PHE CA . 50836 1 51 . 1 . 1 19 19 PHE N N 15 114.75 0 . 1 . . . . . 19 PHE N . 50836 1 52 . 1 . 1 20 20 ASP H H 1 7.57 0 . 1 . . . . . 20 ASP H . 50836 1 53 . 1 . 1 20 20 ASP CA C 13 51.66 0 . 1 . . . . . 20 ASP CA . 50836 1 54 . 1 . 1 20 20 ASP N N 15 123.21 0 . 1 . . . . . 20 ASP N . 50836 1 55 . 1 . 1 21 21 LYS H H 1 7.73 0 . 1 . . . . . 21 LYS H . 50836 1 56 . 1 . 1 21 21 LYS CA C 13 58.55 0 . 1 . . . . . 21 LYS CA . 50836 1 57 . 1 . 1 21 21 LYS N N 15 123.73 0 . 1 . . . . . 21 LYS N . 50836 1 58 . 1 . 1 22 22 ASP H H 1 8.04 0 . 1 . . . . . 22 ASP H . 50836 1 59 . 1 . 1 22 22 ASP CA C 13 52.14 0 . 1 . . . . . 22 ASP CA . 50836 1 60 . 1 . 1 22 22 ASP N N 15 115.09 0 . 1 . . . . . 22 ASP N . 50836 1 61 . 1 . 1 23 23 GLY H H 1 7.68 0 . 1 . . . . . 23 GLY H . 50836 1 62 . 1 . 1 23 23 GLY CA C 13 46.77 0 . 1 . . . . . 23 GLY CA . 50836 1 63 . 1 . 1 23 23 GLY N N 15 109.51 0 . 1 . . . . . 23 GLY N . 50836 1 64 . 1 . 1 25 25 GLY H H 1 10.60 0 . 1 . . . . . 25 GLY H . 50836 1 65 . 1 . 1 25 25 GLY CA C 13 45.10 0 . 1 . . . . . 25 GLY CA . 50836 1 66 . 1 . 1 25 25 GLY N N 15 115.07 0 . 1 . . . . . 25 GLY N . 50836 1 67 . 1 . 1 28 28 THR H H 1 8.27 0 . 1 . . . . . 28 THR H . 50836 1 68 . 1 . 1 28 28 THR CA C 13 60.03 0 . 1 . . . . . 28 THR CA . 50836 1 69 . 1 . 1 28 28 THR N N 15 111.31 0 . 1 . . . . . 28 THR N . 50836 1 70 . 1 . 1 29 29 THR H H 1 8.20 0 . 1 . . . . . 29 THR H . 50836 1 71 . 1 . 1 29 29 THR CA C 13 64.80 0 . 1 . . . . . 29 THR CA . 50836 1 72 . 1 . 1 29 29 THR N N 15 112.67 0 . 1 . . . . . 29 THR N . 50836 1 73 . 1 . 1 30 30 LYS H H 1 7.62 0 . 1 . . . . . 30 LYS H . 50836 1 74 . 1 . 1 30 30 LYS CA C 13 57.98 0 . 1 . . . . . 30 LYS CA . 50836 1 75 . 1 . 1 30 30 LYS N N 15 120.27 0 . 1 . . . . . 30 LYS N . 50836 1 76 . 1 . 1 31 31 GLU H H 1 7.46 0 . 1 . . . . . 31 GLU H . 50836 1 77 . 1 . 1 31 31 GLU CA C 13 56.39 0 . 1 . . . . . 31 GLU CA . 50836 1 78 . 1 . 1 31 31 GLU N N 15 118.90 0 . 1 . . . . . 31 GLU N . 50836 1 79 . 1 . 1 33 33 GLY H H 1 8.61 0 . 1 . . . . . 33 GLY H . 50836 1 80 . 1 . 1 33 33 GLY CA C 13 47.61 0 . 1 . . . . . 33 GLY CA . 50836 1 81 . 1 . 1 33 33 GLY N N 15 106.63 0 . 1 . . . . . 33 GLY N . 50836 1 82 . 1 . 1 34 34 THR H H 1 7.45 0 . 1 . . . . . 34 THR H . 50836 1 83 . 1 . 1 34 34 THR CA C 13 65.58 0 . 1 . . . . . 34 THR CA . 50836 1 84 . 1 . 1 34 34 THR N N 15 118.23 0 . 1 . . . . . 34 THR N . 50836 1 85 . 1 . 1 35 35 VAL H H 1 7.85 0 . 1 . . . . . 35 VAL H . 50836 1 86 . 1 . 1 35 35 VAL CA C 13 65.76 0 . 1 . . . . . 35 VAL CA . 50836 1 87 . 1 . 1 35 35 VAL N N 15 123.74 0 . 1 . . . . . 35 VAL N . 50836 1 88 . 1 . 1 36 36 MET H H 1 8.33 0 . 1 . . . . . 36 MET H . 50836 1 89 . 1 . 1 36 36 MET CA C 13 59.53 0 . 1 . . . . . 36 MET CA . 50836 1 90 . 1 . 1 36 36 MET N N 15 119.24 0 . 1 . . . . . 36 MET N . 50836 1 91 . 1 . 1 37 37 ARG H H 1 8.32 0 . 1 . . . . . 37 ARG H . 50836 1 92 . 1 . 1 37 37 ARG CA C 13 58.79 0 . 1 . . . . . 37 ARG CA . 50836 1 93 . 1 . 1 37 37 ARG N N 15 120.35 0 . 1 . . . . . 37 ARG N . 50836 1 94 . 1 . 1 38 38 SER H H 1 8.02 0 . 1 . . . . . 38 SER H . 50836 1 95 . 1 . 1 38 38 SER CA C 13 61.40 0 . 1 . . . . . 38 SER CA . 50836 1 96 . 1 . 1 38 38 SER N N 15 120.05 0 . 1 . . . . . 38 SER N . 50836 1 97 . 1 . 1 39 39 LEU H H 1 7.29 0 . 1 . . . . . 39 LEU H . 50836 1 98 . 1 . 1 39 39 LEU CA C 13 54.07 0 . 1 . . . . . 39 LEU CA . 50836 1 99 . 1 . 1 39 39 LEU N N 15 121.92 0 . 1 . . . . . 39 LEU N . 50836 1 100 . 1 . 1 40 40 GLY H H 1 7.90 0 . 1 . . . . . 40 GLY H . 50836 1 101 . 1 . 1 40 40 GLY CA C 13 45.15 0 . 1 . . . . . 40 GLY CA . 50836 1 102 . 1 . 1 40 40 GLY N N 15 108.24 0 . 1 . . . . . 40 GLY N . 50836 1 103 . 1 . 1 41 41 GLN H H 1 7.73 0 . 1 . . . . . 41 GLN H . 50836 1 104 . 1 . 1 41 41 GLN CA C 13 53.62 0 . 1 . . . . . 41 GLN CA . 50836 1 105 . 1 . 1 41 41 GLN N N 15 118.89 0 . 1 . . . . . 41 GLN N . 50836 1 106 . 1 . 1 42 42 ASN H H 1 8.60 0 . 1 . . . . . 42 ASN H . 50836 1 107 . 1 . 1 42 42 ASN CA C 13 50.53 0 . 1 . . . . . 42 ASN CA . 50836 1 108 . 1 . 1 42 42 ASN N N 15 117.69 0 . 1 . . . . . 42 ASN N . 50836 1 109 . 1 . 1 44 44 THR H H 1 8.69 0 . 1 . . . . . 44 THR H . 50836 1 110 . 1 . 1 44 44 THR CA C 13 60.29 0 . 1 . . . . . 44 THR CA . 50836 1 111 . 1 . 1 44 44 THR N N 15 114.09 0 . 1 . . . . . 44 THR N . 50836 1 112 . 1 . 1 45 45 GLU H H 1 8.82 0 . 1 . . . . . 45 GLU H . 50836 1 113 . 1 . 1 45 45 GLU CA C 13 59.58 0 . 1 . . . . . 45 GLU CA . 50836 1 114 . 1 . 1 45 45 GLU N N 15 121.60 0 . 1 . . . . . 45 GLU N . 50836 1 115 . 1 . 1 46 46 ALA H H 1 8.28 0 . 1 . . . . . 46 ALA H . 50836 1 116 . 1 . 1 46 46 ALA CA C 13 54.51 0 . 1 . . . . . 46 ALA CA . 50836 1 117 . 1 . 1 46 46 ALA N N 15 121.87 0 . 1 . . . . . 46 ALA N . 50836 1 118 . 1 . 1 47 47 GLU H H 1 7.69 0 . 1 . . . . . 47 GLU H . 50836 1 119 . 1 . 1 47 47 GLU CA C 13 58.45 0 . 1 . . . . . 47 GLU CA . 50836 1 120 . 1 . 1 47 47 GLU N N 15 120.02 0 . 1 . . . . . 47 GLU N . 50836 1 121 . 1 . 1 48 48 LEU H H 1 8.33 0 . 1 . . . . . 48 LEU H . 50836 1 122 . 1 . 1 48 48 LEU CA C 13 57.50 0 . 1 . . . . . 48 LEU CA . 50836 1 123 . 1 . 1 48 48 LEU N N 15 121.14 0 . 1 . . . . . 48 LEU N . 50836 1 124 . 1 . 1 49 49 GLN H H 1 8.05 0 . 1 . . . . . 49 GLN H . 50836 1 125 . 1 . 1 49 49 GLN CA C 13 59.60 0 . 1 . . . . . 49 GLN CA . 50836 1 126 . 1 . 1 49 49 GLN N N 15 118.63 0 . 1 . . . . . 49 GLN N . 50836 1 127 . 1 . 1 50 50 ASP H H 1 7.79 0 . 1 . . . . . 50 ASP H . 50836 1 128 . 1 . 1 50 50 ASP N N 15 120.04 0 . 1 . . . . . 50 ASP N . 50836 1 129 . 1 . 1 51 51 MET H H 1 7.93 0 . 1 . . . . . 51 MET H . 50836 1 130 . 1 . 1 51 51 MET CA C 13 59.27 0 . 1 . . . . . 51 MET CA . 50836 1 131 . 1 . 1 51 51 MET N N 15 120.13 0 . 1 . . . . . 51 MET N . 50836 1 132 . 1 . 1 52 52 ILE H H 1 8.34 0 . 1 . . . . . 52 ILE H . 50836 1 133 . 1 . 1 52 52 ILE CA C 13 64.93 0 . 1 . . . . . 52 ILE CA . 50836 1 134 . 1 . 1 52 52 ILE N N 15 120.32 0 . 1 . . . . . 52 ILE N . 50836 1 135 . 1 . 1 53 53 ASN H H 1 8.30 0 . 1 . . . . . 53 ASN H . 50836 1 136 . 1 . 1 53 53 ASN CA C 13 54.96 0 . 1 . . . . . 53 ASN CA . 50836 1 137 . 1 . 1 53 53 ASN N N 15 118.44 0 . 1 . . . . . 53 ASN N . 50836 1 138 . 1 . 1 54 54 GLU H H 1 7.47 0 . 1 . . . . . 54 GLU H . 50836 1 139 . 1 . 1 54 54 GLU CA C 13 58.19 0 . 1 . . . . . 54 GLU CA . 50836 1 140 . 1 . 1 54 54 GLU N N 15 117.90 0 . 1 . . . . . 54 GLU N . 50836 1 141 . 1 . 1 55 55 VAL H H 1 7.55 0 . 1 . . . . . 55 VAL H . 50836 1 142 . 1 . 1 55 55 VAL CA C 13 61.93 0 . 1 . . . . . 55 VAL CA . 50836 1 143 . 1 . 1 55 55 VAL N N 15 113.56 0 . 1 . . . . . 55 VAL N . 50836 1 144 . 1 . 1 56 56 ASP H H 1 8.40 0 . 1 . . . . . 56 ASP H . 50836 1 145 . 1 . 1 56 56 ASP CA C 13 52.66 0 . 1 . . . . . 56 ASP CA . 50836 1 146 . 1 . 1 56 56 ASP N N 15 123.62 0 . 1 . . . . . 56 ASP N . 50836 1 147 . 1 . 1 58 58 ASP H H 1 8.25 0 . 1 . . . . . 58 ASP H . 50836 1 148 . 1 . 1 58 58 ASP CA C 13 53.16 0 . 1 . . . . . 58 ASP CA . 50836 1 149 . 1 . 1 58 58 ASP N N 15 114.70 0 . 1 . . . . . 58 ASP N . 50836 1 150 . 1 . 1 59 59 GLY H H 1 7.81 0 . 1 . . . . . 59 GLY H . 50836 1 151 . 1 . 1 59 59 GLY CA C 13 46.15 0 . 1 . . . . . 59 GLY CA . 50836 1 152 . 1 . 1 59 59 GLY N N 15 109.60 0 . 1 . . . . . 59 GLY N . 50836 1 153 . 1 . 1 61 61 GLY H H 1 10.37 0 . 1 . . . . . 61 GLY H . 50836 1 154 . 1 . 1 61 61 GLY CA C 13 45.59 0 . 1 . . . . . 61 GLY CA . 50836 1 155 . 1 . 1 61 61 GLY N N 15 112.69 0 . 1 . . . . . 61 GLY N . 50836 1 156 . 1 . 1 62 62 THR H H 1 7.42 0 . 1 . . . . . 62 THR H . 50836 1 157 . 1 . 1 62 62 THR CA C 13 58.49 0 . 1 . . . . . 62 THR CA . 50836 1 158 . 1 . 1 62 62 THR N N 15 109.79 0 . 1 . . . . . 62 THR N . 50836 1 159 . 1 . 1 65 65 PHE H H 1 8.62 0 . 1 . . . . . 65 PHE H . 50836 1 160 . 1 . 1 65 65 PHE CA C 13 62.70 0 . 1 . . . . . 65 PHE CA . 50836 1 161 . 1 . 1 65 65 PHE N N 15 119.76 0 . 1 . . . . . 65 PHE N . 50836 1 162 . 1 . 1 67 67 GLU H H 1 7.97 0 . 1 . . . . . 67 GLU H . 50836 1 163 . 1 . 1 67 67 GLU CA C 13 58.77 0 . 1 . . . . . 67 GLU CA . 50836 1 164 . 1 . 1 67 67 GLU N N 15 118.64 0 . 1 . . . . . 67 GLU N . 50836 1 165 . 1 . 1 68 68 PHE H H 1 8.40 0 . 1 . . . . . 68 PHE H . 50836 1 166 . 1 . 1 68 68 PHE CA C 13 60.78 0 . 1 . . . . . 68 PHE CA . 50836 1 167 . 1 . 1 68 68 PHE N N 15 123.12 0 . 1 . . . . . 68 PHE N . 50836 1 168 . 1 . 1 69 69 LEU H H 1 8.41 0 . 1 . . . . . 69 LEU H . 50836 1 169 . 1 . 1 69 69 LEU CA C 13 57.32 0 . 1 . . . . . 69 LEU CA . 50836 1 170 . 1 . 1 69 69 LEU N N 15 119.77 0 . 1 . . . . . 69 LEU N . 50836 1 171 . 1 . 1 70 70 THR H H 1 7.70 0 . 1 . . . . . 70 THR H . 50836 1 172 . 1 . 1 70 70 THR CA C 13 66.26 0 . 1 . . . . . 70 THR CA . 50836 1 173 . 1 . 1 70 70 THR N N 15 116.40 0 . 1 . . . . . 70 THR N . 50836 1 174 . 1 . 1 71 71 MET H H 1 7.68 0 . 1 . . . . . 71 MET H . 50836 1 175 . 1 . 1 71 71 MET CA C 13 58.43 0 . 1 . . . . . 71 MET CA . 50836 1 176 . 1 . 1 71 71 MET N N 15 122.02 0 . 1 . . . . . 71 MET N . 50836 1 177 . 1 . 1 72 72 MET H H 1 7.97 0 . 1 . . . . . 72 MET H . 50836 1 178 . 1 . 1 72 72 MET CA C 13 55.42 0 . 1 . . . . . 72 MET CA . 50836 1 179 . 1 . 1 72 72 MET N N 15 118.54 0 . 1 . . . . . 72 MET N . 50836 1 180 . 1 . 1 73 73 ALA H H 1 8.29 0 . 1 . . . . . 73 ALA H . 50836 1 181 . 1 . 1 73 73 ALA CA C 13 54.48 0 . 1 . . . . . 73 ALA CA . 50836 1 182 . 1 . 1 73 73 ALA N N 15 122.31 0 . 1 . . . . . 73 ALA N . 50836 1 183 . 1 . 1 74 74 ARG H H 1 7.47 0 . 1 . . . . . 74 ARG H . 50836 1 184 . 1 . 1 74 74 ARG CA C 13 58.16 0 . 1 . . . . . 74 ARG CA . 50836 1 185 . 1 . 1 74 74 ARG N N 15 117.69 0 . 1 . . . . . 74 ARG N . 50836 1 186 . 1 . 1 75 75 LYS H H 1 7.71 0 . 1 . . . . . 75 LYS H . 50836 1 187 . 1 . 1 75 75 LYS CA C 13 56.41 0 . 1 . . . . . 75 LYS CA . 50836 1 188 . 1 . 1 75 75 LYS N N 15 119.36 0 . 1 . . . . . 75 LYS N . 50836 1 189 . 1 . 1 76 76 MET H H 1 7.93 0 . 1 . . . . . 76 MET H . 50836 1 190 . 1 . 1 76 76 MET CA C 13 56.21 0 . 1 . . . . . 76 MET CA . 50836 1 191 . 1 . 1 76 76 MET N N 15 118.79 0 . 1 . . . . . 76 MET N . 50836 1 192 . 1 . 1 77 77 LYS H H 1 7.66 0 . 1 . . . . . 77 LYS H . 50836 1 193 . 1 . 1 77 77 LYS CA C 13 56.62 0 . 1 . . . . . 77 LYS CA . 50836 1 194 . 1 . 1 77 77 LYS N N 15 121.34 0 . 1 . . . . . 77 LYS N . 50836 1 195 . 1 . 1 78 78 ASP H H 1 8.23 0 . 1 . . . . . 78 ASP H . 50836 1 196 . 1 . 1 78 78 ASP CA C 13 54.46 0 . 1 . . . . . 78 ASP CA . 50836 1 197 . 1 . 1 78 78 ASP N N 15 122.77 0 . 1 . . . . . 78 ASP N . 50836 1 198 . 1 . 1 79 79 THR H H 1 8.08 0 . 1 . . . . . 79 THR H . 50836 1 199 . 1 . 1 79 79 THR CA C 13 62.42 0 . 1 . . . . . 79 THR CA . 50836 1 200 . 1 . 1 79 79 THR N N 15 116.04 0 . 1 . . . . . 79 THR N . 50836 1 201 . 1 . 1 80 80 ASP H H 1 8.39 0 . 1 . . . . . 80 ASP H . 50836 1 202 . 1 . 1 80 80 ASP CA C 13 54.57 0 . 1 . . . . . 80 ASP CA . 50836 1 203 . 1 . 1 80 80 ASP N N 15 124.14 0 . 1 . . . . . 80 ASP N . 50836 1 204 . 1 . 1 81 81 SER H H 1 8.39 0 . 1 . . . . . 81 SER H . 50836 1 205 . 1 . 1 81 81 SER CA C 13 59.60 0 . 1 . . . . . 81 SER CA . 50836 1 206 . 1 . 1 81 81 SER N N 15 118.06 0 . 1 . . . . . 81 SER N . 50836 1 207 . 1 . 1 82 82 GLU H H 1 8.38 0 . 1 . . . . . 82 GLU H . 50836 1 208 . 1 . 1 82 82 GLU CA C 13 58.93 0 . 1 . . . . . 82 GLU CA . 50836 1 209 . 1 . 1 82 82 GLU N N 15 122.96 0 . 1 . . . . . 82 GLU N . 50836 1 210 . 1 . 1 83 83 GLU H H 1 8.15 0 . 1 . . . . . 83 GLU H . 50836 1 211 . 1 . 1 83 83 GLU CA C 13 58.78 0 . 1 . . . . . 83 GLU CA . 50836 1 212 . 1 . 1 83 83 GLU N N 15 119.36 0 . 1 . . . . . 83 GLU N . 50836 1 213 . 1 . 1 84 84 GLU H H 1 8.00 0 . 1 . . . . . 84 GLU H . 50836 1 214 . 1 . 1 84 84 GLU CA C 13 58.94 0 . 1 . . . . . 84 GLU CA . 50836 1 215 . 1 . 1 84 84 GLU N N 15 120.03 0 . 1 . . . . . 84 GLU N . 50836 1 216 . 1 . 1 85 85 ILE H H 1 7.90 0 . 1 . . . . . 85 ILE H . 50836 1 217 . 1 . 1 85 85 ILE CA C 13 64.41 0 . 1 . . . . . 85 ILE CA . 50836 1 218 . 1 . 1 85 85 ILE N N 15 121.38 0 . 1 . . . . . 85 ILE N . 50836 1 219 . 1 . 1 92 92 PHE H H 1 7.24 0 . 1 . . . . . 92 PHE H . 50836 1 220 . 1 . 1 92 92 PHE CA C 13 59.55 0 . 1 . . . . . 92 PHE CA . 50836 1 221 . 1 . 1 92 92 PHE N N 15 116.25 0 . 1 . . . . . 92 PHE N . 50836 1 222 . 1 . 1 93 93 ASP H H 1 7.78 0 . 1 . . . . . 93 ASP H . 50836 1 223 . 1 . 1 93 93 ASP CA C 13 51.60 0 . 1 . . . . . 93 ASP CA . 50836 1 224 . 1 . 1 93 93 ASP N N 15 122.48 0 . 1 . . . . . 93 ASP N . 50836 1 225 . 1 . 1 94 94 LYS H H 1 7.83 0 . 1 . . . . . 94 LYS H . 50836 1 226 . 1 . 1 94 94 LYS CA C 13 57.30 0 . 1 . . . . . 94 LYS CA . 50836 1 227 . 1 . 1 94 94 LYS N N 15 126.22 0 . 1 . . . . . 94 LYS N . 50836 1 228 . 1 . 1 101 101 SER H H 1 8.76 0 . 1 . . . . . 101 SER H . 50836 1 229 . 1 . 1 101 101 SER CA C 13 57.25 0 . 1 . . . . . 101 SER CA . 50836 1 230 . 1 . 1 101 101 SER N N 15 118.39 0 . 1 . . . . . 101 SER N . 50836 1 231 . 1 . 1 103 103 ALA H H 1 8.18 0 . 1 . . . . . 103 ALA H . 50836 1 232 . 1 . 1 103 103 ALA CA C 13 54.52 0 . 1 . . . . . 103 ALA CA . 50836 1 233 . 1 . 1 103 103 ALA N N 15 119.66 0 . 1 . . . . . 103 ALA N . 50836 1 234 . 1 . 1 106 106 ARG H H 1 8.04 0 . 1 . . . . . 106 ARG H . 50836 1 235 . 1 . 1 106 106 ARG CA C 13 58.23 0 . 1 . . . . . 106 ARG CA . 50836 1 236 . 1 . 1 106 106 ARG N N 15 118.47 0 . 1 . . . . . 106 ARG N . 50836 1 237 . 1 . 1 109 109 MET H H 1 8.16 0 . 1 . . . . . 109 MET H . 50836 1 238 . 1 . 1 109 109 MET CA C 13 57.37 0 . 1 . . . . . 109 MET CA . 50836 1 239 . 1 . 1 109 109 MET N N 15 116.15 0 . 1 . . . . . 109 MET N . 50836 1 240 . 1 . 1 112 112 LEU H H 1 7.72 0 . 1 . . . . . 112 LEU H . 50836 1 241 . 1 . 1 112 112 LEU CA C 13 54.84 0 . 1 . . . . . 112 LEU CA . 50836 1 242 . 1 . 1 112 112 LEU N N 15 120.36 0 . 1 . . . . . 112 LEU N . 50836 1 243 . 1 . 1 113 113 GLY H H 1 8.10 0 . 1 . . . . . 113 GLY H . 50836 1 244 . 1 . 1 113 113 GLY CA C 13 45.51 0 . 1 . . . . . 113 GLY CA . 50836 1 245 . 1 . 1 113 113 GLY N N 15 108.84 0 . 1 . . . . . 113 GLY N . 50836 1 246 . 1 . 1 114 114 GLU H H 1 8.05 0 . 1 . . . . . 114 GLU H . 50836 1 247 . 1 . 1 114 114 GLU CA C 13 55.75 0 . 1 . . . . . 114 GLU CA . 50836 1 248 . 1 . 1 114 114 GLU N N 15 121.33 0 . 1 . . . . . 114 GLU N . 50836 1 249 . 1 . 1 115 115 LYS H H 1 8.16 0 . 1 . . . . . 115 LYS H . 50836 1 250 . 1 . 1 115 115 LYS CA C 13 57.98 0 . 1 . . . . . 115 LYS CA . 50836 1 251 . 1 . 1 115 115 LYS N N 15 121.28 0 . 1 . . . . . 115 LYS N . 50836 1 252 . 1 . 1 117 117 THR H H 1 8.99 0 . 1 . . . . . 117 THR H . 50836 1 253 . 1 . 1 117 117 THR CA C 13 60.43 0 . 1 . . . . . 117 THR CA . 50836 1 254 . 1 . 1 117 117 THR N N 15 114.72 0 . 1 . . . . . 117 THR N . 50836 1 255 . 1 . 1 118 118 ASP H H 1 8.76 0 . 1 . . . . . 118 ASP H . 50836 1 256 . 1 . 1 118 118 ASP CA C 13 57.45 0 . 1 . . . . . 118 ASP CA . 50836 1 257 . 1 . 1 118 118 ASP N N 15 121.96 0 . 1 . . . . . 118 ASP N . 50836 1 258 . 1 . 1 119 119 GLU H H 1 8.56 0 . 1 . . . . . 119 GLU H . 50836 1 259 . 1 . 1 119 119 GLU CA C 13 59.53 0 . 1 . . . . . 119 GLU CA . 50836 1 260 . 1 . 1 119 119 GLU N N 15 118.96 0 . 1 . . . . . 119 GLU N . 50836 1 261 . 1 . 1 120 120 GLU H H 1 7.72 0 . 1 . . . . . 120 GLU H . 50836 1 262 . 1 . 1 120 120 GLU CA C 13 58.78 0 . 1 . . . . . 120 GLU CA . 50836 1 263 . 1 . 1 120 120 GLU N N 15 121.46 0 . 1 . . . . . 120 GLU N . 50836 1 264 . 1 . 1 121 121 VAL H H 1 8.18 0 . 1 . . . . . 121 VAL H . 50836 1 265 . 1 . 1 121 121 VAL CA C 13 66.67 0 . 1 . . . . . 121 VAL CA . 50836 1 266 . 1 . 1 121 121 VAL N N 15 121.75 0 . 1 . . . . . 121 VAL N . 50836 1 267 . 1 . 1 122 122 ASP H H 1 8.27 0 . 1 . . . . . 122 ASP H . 50836 1 268 . 1 . 1 122 122 ASP CA C 13 57.45 0 . 1 . . . . . 122 ASP CA . 50836 1 269 . 1 . 1 122 122 ASP N N 15 120.37 0 . 1 . . . . . 122 ASP N . 50836 1 270 . 1 . 1 123 123 GLU H H 1 7.79 0 . 1 . . . . . 123 GLU H . 50836 1 271 . 1 . 1 123 123 GLU CA C 13 58.85 0 . 1 . . . . . 123 GLU CA . 50836 1 272 . 1 . 1 123 123 GLU N N 15 120.09 0 . 1 . . . . . 123 GLU N . 50836 1 273 . 1 . 1 124 124 MET H H 1 7.88 0 . 1 . . . . . 124 MET H . 50836 1 274 . 1 . 1 124 124 MET CA C 13 58.96 0 . 1 . . . . . 124 MET CA . 50836 1 275 . 1 . 1 124 124 MET N N 15 119.87 0 . 1 . . . . . 124 MET N . 50836 1 276 . 1 . 1 125 125 ILE H H 1 8.35 0 . 1 . . . . . 125 ILE H . 50836 1 277 . 1 . 1 125 125 ILE CA C 13 65.17 0 . 1 . . . . . 125 ILE CA . 50836 1 278 . 1 . 1 125 125 ILE N N 15 119.84 0 . 1 . . . . . 125 ILE N . 50836 1 279 . 1 . 1 126 126 ARG H H 1 7.87 0 . 1 . . . . . 126 ARG H . 50836 1 280 . 1 . 1 126 126 ARG CA C 13 58.97 0 . 1 . . . . . 126 ARG CA . 50836 1 281 . 1 . 1 126 126 ARG N N 15 120.07 0 . 1 . . . . . 126 ARG N . 50836 1 282 . 1 . 1 127 127 GLU H H 1 7.77 0 . 1 . . . . . 127 GLU H . 50836 1 283 . 1 . 1 127 127 GLU CA C 13 57.37 0 . 1 . . . . . 127 GLU CA . 50836 1 284 . 1 . 1 127 127 GLU N N 15 117.49 0 . 1 . . . . . 127 GLU N . 50836 1 285 . 1 . 1 133 133 ASP H H 1 8.26 0 . 1 . . . . . 133 ASP H . 50836 1 286 . 1 . 1 133 133 ASP CA C 13 52.98 0 . 1 . . . . . 133 ASP CA . 50836 1 287 . 1 . 1 133 133 ASP N N 15 119.59 0 . 1 . . . . . 133 ASP N . 50836 1 288 . 1 . 1 137 137 ASN H H 1 8.72 0 . 1 . . . . . 137 ASN H . 50836 1 289 . 1 . 1 137 137 ASN CA C 13 51.13 0 . 1 . . . . . 137 ASN CA . 50836 1 290 . 1 . 1 137 137 ASN N N 15 126.15 0 . 1 . . . . . 137 ASN N . 50836 1 291 . 1 . 1 140 140 GLU H H 1 7.72 0 . 1 . . . . . 140 GLU H . 50836 1 292 . 1 . 1 140 140 GLU CA C 13 58.81 0 . 1 . . . . . 140 GLU CA . 50836 1 293 . 1 . 1 140 140 GLU N N 15 117.89 0 . 1 . . . . . 140 GLU N . 50836 1 294 . 1 . 1 144 144 MET H H 1 7.67 0 . 1 . . . . . 144 MET H . 50836 1 295 . 1 . 1 144 144 MET CA C 13 56.44 0 . 1 . . . . . 144 MET CA . 50836 1 296 . 1 . 1 144 144 MET N N 15 119.34 0 . 1 . . . . . 144 MET N . 50836 1 297 . 1 . 1 145 145 MET H H 1 7.86 0 . 1 . . . . . 145 MET H . 50836 1 298 . 1 . 1 145 145 MET CA C 13 56.39 0 . 1 . . . . . 145 MET CA . 50836 1 299 . 1 . 1 145 145 MET N N 15 117.04 0 . 1 . . . . . 145 MET N . 50836 1 300 . 1 . 1 146 146 THR H H 1 7.66 0 . 1 . . . . . 146 THR H . 50836 1 301 . 1 . 1 146 146 THR CA C 13 62.16 0 . 1 . . . . . 146 THR CA . 50836 1 302 . 1 . 1 146 146 THR N N 15 111.39 0 . 1 . . . . . 146 THR N . 50836 1 303 . 1 . 1 147 147 ALA H H 1 7.54 0 . 1 . . . . . 147 ALA H . 50836 1 304 . 1 . 1 147 147 ALA CA C 13 52.28 0 . 1 . . . . . 147 ALA CA . 50836 1 305 . 1 . 1 147 147 ALA N N 15 126.65 0 . 1 . . . . . 147 ALA N . 50836 1 306 . 1 . 1 148 148 LYS H H 1 7.62 0 . 1 . . . . . 148 LYS H . 50836 1 307 . 1 . 1 148 148 LYS CA C 13 57.11 0 . 1 . . . . . 148 LYS CA . 50836 1 308 . 1 . 1 148 148 LYS N N 15 126.31 0 . 1 . . . . . 148 LYS N . 50836 1 stop_ save_