################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11585 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' 1 $sample_1 isotropic 11585 1 2 '3D HNCA' 1 $sample_1 isotropic 11585 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 LEU H H 1 8.322 0.01 . 1 . . . . 90 LEU H . 11585 1 2 . 1 1 1 1 LEU CA C 13 54.842 0.25 . 1 . . . . 90 LEU CA . 11585 1 3 . 1 1 1 1 LEU N N 15 124.194 0.1 . 1 . . . . 90 LEU N . 11585 1 4 . 1 1 2 2 ILE H H 1 8.582 0.01 . 1 . . . . 91 ILE H . 11585 1 5 . 1 1 2 2 ILE CA C 13 61.235 0.25 . 1 . . . . 91 ILE CA . 11585 1 6 . 1 1 2 2 ILE N N 15 124.185 0.1 . 1 . . . . 91 ILE N . 11585 1 7 . 1 1 3 3 LYS H H 1 8.578 0.01 . 1 . . . . 92 LYS H . 11585 1 8 . 1 1 3 3 LYS CA C 13 56.063 0.25 . 1 . . . . 92 LYS CA . 11585 1 9 . 1 1 3 3 LYS N N 15 126.14 0.1 . 1 . . . . 92 LYS N . 11585 1 10 . 1 1 4 4 GLY H H 1 7.964 0.01 . 1 . . . . 93 GLY H . 11585 1 11 . 1 1 4 4 GLY CA C 13 44.499 0.25 . 1 . . . . 93 GLY CA . 11585 1 12 . 1 1 4 4 GLY N N 15 109.12 0.1 . 1 . . . . 93 GLY N . 11585 1 13 . 1 1 5 5 PRO CA C 13 62.841 0.25 . 1 . . . . 94 PRO CA . 11585 1 14 . 1 1 6 6 TRP H H 1 8.587 0.01 . 1 . . . . 95 TRP H . 11585 1 15 . 1 1 6 6 TRP CA C 13 58.417 0.25 . 1 . . . . 95 TRP CA . 11585 1 16 . 1 1 6 6 TRP N N 15 123.291 0.1 . 1 . . . . 95 TRP N . 11585 1 17 . 1 1 7 7 THR H H 1 8.38 0.01 . 1 . . . . 96 THR H . 11585 1 18 . 1 1 7 7 THR N N 15 115.989 0.1 . 1 . . . . 96 THR N . 11585 1 19 . 1 1 8 8 LYS H H 1 8.867 0.01 . 1 . . . . 97 LYS H . 11585 1 20 . 1 1 8 8 LYS N N 15 121.611 0.1 . 1 . . . . 97 LYS N . 11585 1 21 . 1 1 9 9 GLU H H 1 8.671 0.01 . 1 . . . . 98 GLU H . 11585 1 22 . 1 1 9 9 GLU CA C 13 60.149 0.25 . 1 . . . . 98 GLU CA . 11585 1 23 . 1 1 9 9 GLU N N 15 118.512 0.1 . 1 . . . . 98 GLU N . 11585 1 24 . 1 1 10 10 GLU H H 1 7.855 0.01 . 1 . . . . 99 GLU H . 11585 1 25 . 1 1 10 10 GLU CA C 13 60.263 0.25 . 1 . . . . 99 GLU CA . 11585 1 26 . 1 1 10 10 GLU N N 15 122.394 0.1 . 1 . . . . 99 GLU N . 11585 1 27 . 1 1 11 11 ASP H H 1 8.531 0.01 . 1 . . . . 100 ASP H . 11585 1 28 . 1 1 11 11 ASP CA C 13 57.659 0.25 . 1 . . . . 100 ASP CA . 11585 1 29 . 1 1 11 11 ASP N N 15 120.49 0.1 . 1 . . . . 100 ASP N . 11585 1 30 . 1 1 12 12 GLN H H 1 8.257 0.01 . 1 . . . . 101 GLN H . 11585 1 31 . 1 1 12 12 GLN CA C 13 58.905 0.25 . 1 . . . . 101 GLN CA . 11585 1 32 . 1 1 12 12 GLN N N 15 116.81 0.1 . 1 . . . . 101 GLN N . 11585 1 33 . 1 1 13 13 ARG H H 1 8.092 0.01 . 1 . . . . 102 ARG H . 11585 1 34 . 1 1 13 13 ARG CA C 13 59.726 0.25 . 1 . . . . 102 ARG CA . 11585 1 35 . 1 1 13 13 ARG N N 15 120.581 0.1 . 1 . . . . 102 ARG N . 11585 1 36 . 1 1 14 14 LEU H H 1 8.881 0.01 . 1 . . . . 103 LEU H . 11585 1 37 . 1 1 14 14 LEU CA C 13 59.095 0.25 . 1 . . . . 103 LEU CA . 11585 1 38 . 1 1 14 14 LEU N N 15 121.47 0.1 . 1 . . . . 103 LEU N . 11585 1 39 . 1 1 15 15 ILE H H 1 8.55 0.01 . 1 . . . . 104 ILE H . 11585 1 40 . 1 1 15 15 ILE CA C 13 66.601 0.25 . 1 . . . . 104 ILE CA . 11585 1 41 . 1 1 15 15 ILE N N 15 119.394 0.1 . 1 . . . . 104 ILE N . 11585 1 42 . 1 1 17 17 LEU H H 1 8.507 0.01 . 1 . . . . 106 LEU H . 11585 1 43 . 1 1 17 17 LEU CA C 13 58.069 0.25 . 1 . . . . 106 LEU CA . 11585 1 44 . 1 1 17 17 LEU N N 15 122.064 0.1 . 1 . . . . 106 LEU N . 11585 1 45 . 1 1 18 18 VAL H H 1 8.642 0.01 . 1 . . . . 107 VAL H . 11585 1 46 . 1 1 18 18 VAL N N 15 121.675 0.1 . 1 . . . . 107 VAL N . 11585 1 47 . 1 1 19 19 GLN H H 1 7.895 0.01 . 1 . . . . 108 GLN H . 11585 1 48 . 1 1 19 19 GLN CA C 13 59.108 0.25 . 1 . . . . 108 GLN CA . 11585 1 49 . 1 1 19 19 GLN N N 15 120.494 0.1 . 1 . . . . 108 GLN N . 11585 1 50 . 1 1 20 20 LYS H H 1 7.383 0.01 . 1 . . . . 109 LYS H . 11585 1 51 . 1 1 20 20 LYS CA C 13 58.915 0.25 . 1 . . . . 109 LYS CA . 11585 1 52 . 1 1 20 20 LYS N N 15 117.94 0.1 . 1 . . . . 109 LYS N . 11585 1 53 . 1 1 21 21 TYR H H 1 8.503 0.01 . 1 . . . . 110 TYR H . 11585 1 54 . 1 1 21 21 TYR CA C 13 59.734 0.25 . 1 . . . . 110 TYR CA . 11585 1 55 . 1 1 21 21 TYR N N 15 115.087 0.1 . 1 . . . . 110 TYR N . 11585 1 56 . 1 1 22 22 GLY H H 1 8.112 0.01 . 1 . . . . 111 GLY H . 11585 1 57 . 1 1 22 22 GLY CA C 13 44.374 0.25 . 1 . . . . 111 GLY CA . 11585 1 58 . 1 1 22 22 GLY N N 15 110.568 0.1 . 1 . . . . 111 GLY N . 11585 1 59 . 1 1 26 26 TRP H H 1 7.166 0.01 . 1 . . . . 115 TRP H . 11585 1 60 . 1 1 26 26 TRP CA C 13 59.778 0.25 . 1 . . . . 115 TRP CA . 11585 1 61 . 1 1 26 26 TRP N N 15 120.748 0.1 . 1 . . . . 115 TRP N . 11585 1 62 . 1 1 28 28 VAL H H 1 7.236 0.01 . 1 . . . . 117 VAL H . 11585 1 63 . 1 1 28 28 VAL CA C 13 65.553 0.25 . 1 . . . . 117 VAL CA . 11585 1 64 . 1 1 28 28 VAL N N 15 123.748 0.1 . 1 . . . . 117 VAL N . 11585 1 65 . 1 1 29 29 ILE H H 1 7.44 0.01 . 1 . . . . 118 ILE H . 11585 1 66 . 1 1 29 29 ILE CA C 13 66.335 0.25 . 1 . . . . 118 ILE CA . 11585 1 67 . 1 1 29 29 ILE N N 15 120.016 0.1 . 1 . . . . 118 ILE N . 11585 1 68 . 1 1 30 30 ALA H H 1 8.352 0.01 . 1 . . . . 119 ALA H . 11585 1 69 . 1 1 30 30 ALA CA C 13 55.077 0.25 . 1 . . . . 119 ALA CA . 11585 1 70 . 1 1 30 30 ALA N N 15 119.072 0.1 . 1 . . . . 119 ALA N . 11585 1 71 . 1 1 31 31 LYS H H 1 7.224 0.01 . 1 . . . . 120 LYS H . 11585 1 72 . 1 1 31 31 LYS CA C 13 58.362 0.25 . 1 . . . . 120 LYS CA . 11585 1 73 . 1 1 31 31 LYS N N 15 116.024 0.1 . 1 . . . . 120 LYS N . 11585 1 74 . 1 1 32 32 HIS H H 1 7.578 0.01 . 1 . . . . 121 HIS H . 11585 1 75 . 1 1 32 32 HIS CA C 13 57.182 0.25 . 1 . . . . 121 HIS CA . 11585 1 76 . 1 1 32 32 HIS N N 15 115.531 0.1 . 1 . . . . 121 HIS N . 11585 1 77 . 1 1 33 33 LEU H H 1 7.711 0.01 . 1 . . . . 122 LEU H . 11585 1 78 . 1 1 33 33 LEU CA C 13 53.879 0.25 . 1 . . . . 122 LEU CA . 11585 1 79 . 1 1 33 33 LEU N N 15 125.443 0.1 . 1 . . . . 122 LEU N . 11585 1 80 . 1 1 34 34 LYS H H 1 7.681 0.01 . 1 . . . . 123 LYS H . 11585 1 81 . 1 1 34 34 LYS CA C 13 58.001 0.25 . 1 . . . . 123 LYS CA . 11585 1 82 . 1 1 34 34 LYS N N 15 118.414 0.1 . 1 . . . . 123 LYS N . 11585 1 83 . 1 1 35 35 GLY H H 1 8.683 0.01 . 1 . . . . 124 GLY H . 11585 1 84 . 1 1 35 35 GLY CA C 13 45.498 0.25 . 1 . . . . 124 GLY CA . 11585 1 85 . 1 1 35 35 GLY N N 15 110.713 0.1 . 1 . . . . 124 GLY N . 11585 1 86 . 1 1 36 36 ARG H H 1 7.64 0.01 . 1 . . . . 125 ARG H . 11585 1 87 . 1 1 36 36 ARG CA C 13 52.454 0.25 . 1 . . . . 125 ARG CA . 11585 1 88 . 1 1 36 36 ARG N N 15 117.084 0.1 . 1 . . . . 125 ARG N . 11585 1 89 . 1 1 37 37 ILE H H 1 8.376 0.01 . 1 . . . . 126 ILE H . 11585 1 90 . 1 1 37 37 ILE CA C 13 60.08 0.25 . 1 . . . . 126 ILE CA . 11585 1 91 . 1 1 37 37 ILE N N 15 116.411 0.1 . 1 . . . . 126 ILE N . 11585 1 92 . 1 1 38 38 GLY H H 1 9.204 0.01 . 1 . . . . 127 GLY H . 11585 1 93 . 1 1 38 38 GLY N N 15 112.275 0.1 . 1 . . . . 127 GLY N . 11585 1 94 . 1 1 40 40 GLN H H 1 7.133 0.01 . 1 . . . . 129 GLN H . 11585 1 95 . 1 1 40 40 GLN CA C 13 58.167 0.25 . 1 . . . . 129 GLN CA . 11585 1 96 . 1 1 40 40 GLN N N 15 115.964 0.1 . 1 . . . . 129 GLN N . 11585 1 97 . 1 1 41 41 ILE H H 1 8.04 0.01 . 1 . . . . 130 ILE H . 11585 1 98 . 1 1 41 41 ILE N N 15 122.229 0.1 . 1 . . . . 130 ILE N . 11585 1 99 . 1 1 42 42 ARG H H 1 7.879 0.01 . 1 . . . . 131 ARG H . 11585 1 100 . 1 1 42 42 ARG CA C 13 58.934 0.25 . 1 . . . . 131 ARG CA . 11585 1 101 . 1 1 42 42 ARG N N 15 119.58 0.1 . 1 . . . . 131 ARG N . 11585 1 102 . 1 1 43 43 GLU H H 1 7.416 0.01 . 1 . . . . 132 GLU H . 11585 1 103 . 1 1 43 43 GLU CA C 13 59.309 0.25 . 1 . . . . 132 GLU CA . 11585 1 104 . 1 1 43 43 GLU N N 15 116.658 0.1 . 1 . . . . 132 GLU N . 11585 1 105 . 1 1 44 44 ARG H H 1 7.764 0.01 . 1 . . . . 133 ARG H . 11585 1 106 . 1 1 44 44 ARG CA C 13 57.907 0.25 . 1 . . . . 133 ARG CA . 11585 1 107 . 1 1 44 44 ARG N N 15 120.834 0.1 . 1 . . . . 133 ARG N . 11585 1 108 . 1 1 52 52 GLU H H 1 7.73 0.01 . 1 . . . . 141 GLU H . 11585 1 109 . 1 1 52 52 GLU CA C 13 57.078 0.25 . 1 . . . . 141 GLU CA . 11585 1 110 . 1 1 52 52 GLU N N 15 117.843 0.1 . 1 . . . . 141 GLU N . 11585 1 111 . 1 1 53 53 VAL H H 1 7.667 0.01 . 1 . . . . 142 VAL H . 11585 1 112 . 1 1 53 53 VAL N N 15 119.811 0.1 . 1 . . . . 142 VAL N . 11585 1 113 . 1 1 54 54 LYS H H 1 8.13 0.01 . 1 . . . . 143 LYS H . 11585 1 114 . 1 1 54 54 LYS CA C 13 56.359 0.25 . 1 . . . . 143 LYS CA . 11585 1 115 . 1 1 54 54 LYS N N 15 124.448 0.1 . 1 . . . . 143 LYS N . 11585 1 116 . 1 1 55 55 LYS H H 1 8.266 0.01 . 1 . . . . 144 LYS H . 11585 1 117 . 1 1 55 55 LYS CA C 13 56.37 0.25 . 1 . . . . 144 LYS CA . 11585 1 118 . 1 1 55 55 LYS N N 15 122.512 0.1 . 1 . . . . 144 LYS N . 11585 1 119 . 1 1 58 58 TRP H H 1 8.368 0.01 . 1 . . . . 147 TRP H . 11585 1 120 . 1 1 58 58 TRP CA C 13 56.6 0.25 . 1 . . . . 147 TRP CA . 11585 1 121 . 1 1 58 58 TRP N N 15 125.169 0.1 . 1 . . . . 147 TRP N . 11585 1 122 . 1 1 59 59 THR H H 1 9.42 0.01 . 1 . . . . 148 THR H . 11585 1 123 . 1 1 59 59 THR CA C 13 60.525 0.25 . 1 . . . . 148 THR CA . 11585 1 124 . 1 1 59 59 THR N N 15 117.337 0.1 . 1 . . . . 148 THR N . 11585 1 125 . 1 1 60 60 GLU H H 1 8.972 0.01 . 1 . . . . 149 GLU H . 11585 1 126 . 1 1 60 60 GLU CA C 13 59.743 0.25 . 1 . . . . 149 GLU CA . 11585 1 127 . 1 1 60 60 GLU N N 15 120.623 0.1 . 1 . . . . 149 GLU N . 11585 1 128 . 1 1 61 61 GLU H H 1 8.394 0.01 . 1 . . . . 150 GLU H . 11585 1 129 . 1 1 61 61 GLU CA C 13 59.651 0.25 . 1 . . . . 150 GLU CA . 11585 1 130 . 1 1 61 61 GLU N N 15 119.396 0.1 . 1 . . . . 150 GLU N . 11585 1 131 . 1 1 62 62 GLU H H 1 8.005 0.01 . 1 . . . . 151 GLU H . 11585 1 132 . 1 1 62 62 GLU CA C 13 60.454 0.25 . 1 . . . . 151 GLU CA . 11585 1 133 . 1 1 62 62 GLU N N 15 119.859 0.1 . 1 . . . . 151 GLU N . 11585 1 134 . 1 1 63 63 ASP H H 1 8.352 0.01 . 1 . . . . 152 ASP H . 11585 1 135 . 1 1 63 63 ASP CA C 13 57.876 0.25 . 1 . . . . 152 ASP CA . 11585 1 136 . 1 1 63 63 ASP N N 15 119.284 0.1 . 1 . . . . 152 ASP N . 11585 1 137 . 1 1 64 64 ARG H H 1 8.201 0.01 . 1 . . . . 153 ARG H . 11585 1 138 . 1 1 64 64 ARG CA C 13 60.224 0.25 . 1 . . . . 153 ARG CA . 11585 1 139 . 1 1 64 64 ARG N N 15 120.848 0.1 . 1 . . . . 153 ARG N . 11585 1 140 . 1 1 65 65 ILE H H 1 8.224 0.01 . 1 . . . . 154 ILE H . 11585 1 141 . 1 1 65 65 ILE CA C 13 65.566 0.25 . 1 . . . . 154 ILE CA . 11585 1 142 . 1 1 65 65 ILE N N 15 121.05 0.1 . 1 . . . . 154 ILE N . 11585 1 143 . 1 1 66 66 ILE H H 1 8.677 0.01 . 1 . . . . 155 ILE H . 11585 1 144 . 1 1 66 66 ILE CA C 13 66.733 0.25 . 1 . . . . 155 ILE CA . 11585 1 145 . 1 1 66 66 ILE N N 15 120.213 0.1 . 1 . . . . 155 ILE N . 11585 1 146 . 1 1 67 67 TYR H H 1 8.814 0.01 . 1 . . . . 156 TYR H . 11585 1 147 . 1 1 67 67 TYR CA C 13 62.606 0.25 . 1 . . . . 156 TYR CA . 11585 1 148 . 1 1 67 67 TYR N N 15 119.372 0.1 . 1 . . . . 156 TYR N . 11585 1 149 . 1 1 68 68 GLN H H 1 8.412 0.01 . 1 . . . . 157 GLN H . 11585 1 150 . 1 1 68 68 GLN CA C 13 58.702 0.25 . 1 . . . . 157 GLN CA . 11585 1 151 . 1 1 68 68 GLN N N 15 116.998 0.1 . 1 . . . . 157 GLN N . 11585 1 152 . 1 1 69 69 ALA H H 1 8.682 0.01 . 1 . . . . 158 ALA H . 11585 1 153 . 1 1 69 69 ALA CA C 13 54.88 0.25 . 1 . . . . 158 ALA CA . 11585 1 154 . 1 1 69 69 ALA N N 15 122.373 0.1 . 1 . . . . 158 ALA N . 11585 1 155 . 1 1 70 70 HIS H H 1 9.235 0.01 . 1 . . . . 159 HIS H . 11585 1 156 . 1 1 70 70 HIS CA C 13 60.58 0.25 . 1 . . . . 159 HIS CA . 11585 1 157 . 1 1 70 70 HIS N N 15 120.005 0.1 . 1 . . . . 159 HIS N . 11585 1 158 . 1 1 71 71 LYS H H 1 7.604 0.01 . 1 . . . . 160 LYS H . 11585 1 159 . 1 1 71 71 LYS CA C 13 59.22 0.25 . 1 . . . . 160 LYS CA . 11585 1 160 . 1 1 71 71 LYS N N 15 119.046 0.1 . 1 . . . . 160 LYS N . 11585 1 161 . 1 1 72 72 ARG H H 1 7.014 0.01 . 1 . . . . 161 ARG H . 11585 1 162 . 1 1 72 72 ARG CA C 13 57.983 0.25 . 1 . . . . 161 ARG CA . 11585 1 163 . 1 1 72 72 ARG N N 15 115.279 0.1 . 1 . . . . 161 ARG N . 11585 1 164 . 1 1 73 73 LEU H H 1 8.667 0.01 . 1 . . . . 162 LEU H . 11585 1 165 . 1 1 73 73 LEU CA C 13 55.118 0.25 . 1 . . . . 162 LEU CA . 11585 1 166 . 1 1 73 73 LEU N N 15 117.426 0.1 . 1 . . . . 162 LEU N . 11585 1 167 . 1 1 74 74 GLY H H 1 8.126 0.01 . 1 . . . . 163 GLY H . 11585 1 168 . 1 1 74 74 GLY CA C 13 44.36 0.25 . 1 . . . . 163 GLY CA . 11585 1 169 . 1 1 74 74 GLY N N 15 110.486 0.1 . 1 . . . . 163 GLY N . 11585 1 170 . 1 1 75 75 ASN H H 1 7.825 0.01 . 1 . . . . 164 ASN H . 11585 1 171 . 1 1 75 75 ASN N N 15 120.082 0.1 . 1 . . . . 164 ASN N . 11585 1 172 . 1 1 76 76 ARG H H 1 7.247 0.01 . 1 . . . . 165 ARG H . 11585 1 173 . 1 1 76 76 ARG CA C 13 53.749 0.25 . 1 . . . . 165 ARG CA . 11585 1 174 . 1 1 76 76 ARG N N 15 123.735 0.1 . 1 . . . . 165 ARG N . 11585 1 175 . 1 1 77 77 TRP H H 1 6.986 0.01 . 1 . . . . 166 TRP H . 11585 1 176 . 1 1 77 77 TRP CA C 13 59.836 0.25 . 1 . . . . 166 TRP CA . 11585 1 177 . 1 1 77 77 TRP N N 15 122.089 0.1 . 1 . . . . 166 TRP N . 11585 1 178 . 1 1 78 78 ALA H H 1 8.818 0.01 . 1 . . . . 167 ALA H . 11585 1 179 . 1 1 78 78 ALA N N 15 119.372 0.1 . 1 . . . . 167 ALA N . 11585 1 180 . 1 1 79 79 GLU H H 1 7.457 0.01 . 1 . . . . 168 GLU H . 11585 1 181 . 1 1 79 79 GLU CA C 13 58.445 0.25 . 1 . . . . 168 GLU CA . 11585 1 182 . 1 1 79 79 GLU N N 15 117.2 0.1 . 1 . . . . 168 GLU N . 11585 1 183 . 1 1 80 80 ILE H H 1 7.889 0.01 . 1 . . . . 169 ILE H . 11585 1 184 . 1 1 80 80 ILE N N 15 121.242 0.1 . 1 . . . . 169 ILE N . 11585 1 185 . 1 1 81 81 ALA H H 1 8.329 0.01 . 1 . . . . 170 ALA H . 11585 1 186 . 1 1 81 81 ALA N N 15 120.125 0.1 . 1 . . . . 170 ALA N . 11585 1 187 . 1 1 82 82 LYS H H 1 6.987 0.01 . 1 . . . . 171 LYS H . 11585 1 188 . 1 1 82 82 LYS CA C 13 58.861 0.25 . 1 . . . . 171 LYS CA . 11585 1 189 . 1 1 82 82 LYS N N 15 115.223 0.1 . 1 . . . . 171 LYS N . 11585 1 190 . 1 1 83 83 LEU H H 1 7.784 0.01 . 1 . . . . 172 LEU H . 11585 1 191 . 1 1 83 83 LEU CA C 13 54.761 0.25 . 1 . . . . 172 LEU CA . 11585 1 192 . 1 1 83 83 LEU N N 15 116.238 0.1 . 1 . . . . 172 LEU N . 11585 1 193 . 1 1 84 84 LEU H H 1 7.349 0.01 . 1 . . . . 173 LEU H . 11585 1 194 . 1 1 84 84 LEU N N 15 120.359 0.1 . 1 . . . . 173 LEU N . 11585 1 195 . 1 1 86 86 GLY H H 1 8.772 0.01 . 1 . . . . 175 GLY H . 11585 1 196 . 1 1 86 86 GLY CA C 13 45.252 0.25 . 1 . . . . 175 GLY CA . 11585 1 197 . 1 1 86 86 GLY N N 15 111.578 0.1 . 1 . . . . 175 GLY N . 11585 1 198 . 1 1 87 87 ARG H H 1 8.043 0.01 . 1 . . . . 176 ARG H . 11585 1 199 . 1 1 87 87 ARG CA C 13 52.331 0.25 . 1 . . . . 176 ARG CA . 11585 1 200 . 1 1 87 87 ARG N N 15 118.364 0.1 . 1 . . . . 176 ARG N . 11585 1 201 . 1 1 88 88 THR H H 1 7.935 0.01 . 1 . . . . 177 THR H . 11585 1 202 . 1 1 88 88 THR CA C 13 59.975 0.25 . 1 . . . . 177 THR CA . 11585 1 203 . 1 1 88 88 THR N N 15 111.04 0.1 . 1 . . . . 177 THR N . 11585 1 204 . 1 1 89 89 ASP H H 1 8.995 0.01 . 1 . . . . 178 ASP H . 11585 1 205 . 1 1 89 89 ASP CA C 13 57.554 0.25 . 1 . . . . 178 ASP CA . 11585 1 206 . 1 1 89 89 ASP N N 15 120.453 0.1 . 1 . . . . 178 ASP N . 11585 1 207 . 1 1 90 90 ASN H H 1 8.818 0.01 . 1 . . . . 179 ASN H . 11585 1 208 . 1 1 90 90 ASN CA C 13 56.192 0.25 . 1 . . . . 179 ASN CA . 11585 1 209 . 1 1 90 90 ASN N N 15 118.886 0.1 . 1 . . . . 179 ASN N . 11585 1 210 . 1 1 91 91 ALA H H 1 8.067 0.01 . 1 . . . . 180 ALA H . 11585 1 211 . 1 1 91 91 ALA CA C 13 55.275 0.25 . 1 . . . . 180 ALA CA . 11585 1 212 . 1 1 91 91 ALA N N 15 122.897 0.1 . 1 . . . . 180 ALA N . 11585 1 213 . 1 1 92 92 ILE H H 1 8.339 0.01 . 1 . . . . 181 ILE H . 11585 1 214 . 1 1 92 92 ILE N N 15 119.975 0.1 . 1 . . . . 181 ILE N . 11585 1 215 . 1 1 94 94 ASN H H 1 8.014 0.01 . 1 . . . . 183 ASN H . 11585 1 216 . 1 1 94 94 ASN CA C 13 55.911 0.25 . 1 . . . . 183 ASN CA . 11585 1 217 . 1 1 94 94 ASN N N 15 115.523 0.1 . 1 . . . . 183 ASN N . 11585 1 218 . 1 1 95 95 HIS H H 1 8.036 0.01 . 1 . . . . 184 HIS H . 11585 1 219 . 1 1 95 95 HIS N N 15 122.094 0.1 . 1 . . . . 184 HIS N . 11585 1 220 . 1 1 96 96 TRP H H 1 8.927 0.01 . 1 . . . . 185 TRP H . 11585 1 221 . 1 1 96 96 TRP CA C 13 60.696 0.25 . 1 . . . . 185 TRP CA . 11585 1 222 . 1 1 96 96 TRP N N 15 122.523 0.1 . 1 . . . . 185 TRP N . 11585 1 223 . 1 1 97 97 ASN H H 1 8.175 0.01 . 1 . . . . 186 ASN H . 11585 1 224 . 1 1 97 97 ASN N N 15 114.549 0.1 . 1 . . . . 186 ASN N . 11585 1 225 . 1 1 98 98 SER H H 1 7.899 0.01 . 1 . . . . 187 SER H . 11585 1 226 . 1 1 98 98 SER CA C 13 60.288 0.25 . 1 . . . . 187 SER CA . 11585 1 227 . 1 1 98 98 SER N N 15 112.522 0.1 . 1 . . . . 187 SER N . 11585 1 228 . 1 1 100 100 MET H H 1 7.587 0.01 . 1 . . . . 189 MET H . 11585 1 229 . 1 1 100 100 MET CA C 13 56.985 0.25 . 1 . . . . 189 MET CA . 11585 1 230 . 1 1 100 100 MET N N 15 120.564 0.1 . 1 . . . . 189 MET N . 11585 1 231 . 1 1 101 101 ARG H H 1 7.559 0.01 . 1 . . . . 190 ARG H . 11585 1 232 . 1 1 101 101 ARG N N 15 120.275 0.1 . 1 . . . . 190 ARG N . 11585 1 233 . 1 1 103 103 LYS H H 1 8.101 0.01 . 1 . . . . 192 LYS H . 11585 1 234 . 1 1 103 103 LYS CA C 13 56.348 0.25 . 1 . . . . 192 LYS CA . 11585 1 235 . 1 1 103 103 LYS N N 15 123.101 0.1 . 1 . . . . 192 LYS N . 11585 1 236 . 1 1 104 104 VAL H H 1 7.648 0.01 . 1 . . . . 193 VAL H . 11585 1 237 . 1 1 104 104 VAL CA C 13 63.675 0.25 . 1 . . . . 193 VAL CA . 11585 1 238 . 1 1 104 104 VAL N N 15 125.7 0.1 . 1 . . . . 193 VAL N . 11585 1 stop_ save_