################################### # 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 27199 _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 . _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' . . . 27199 1 2 '3D 1H-15N NOESY' . . . 27199 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 2 $CCPNMR_Analysis . . 27199 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.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 GLU H H 1 9.232 0.005 . 1 . . 78 . . 3 GLU H . 27199 1 2 . 1 1 3 3 GLU N N 15 120.229 0.014 . 1 . . 79 . . 3 GLU N . 27199 1 3 . 1 1 4 4 LEU H H 1 9.175 0.02 . 1 . . 28 . . 4 LEU H . 27199 1 4 . 1 1 4 4 LEU N N 15 122.217 0.047 . 1 . . 29 . . 4 LEU N . 27199 1 5 . 1 1 5 5 GLU H H 1 8.226 0.026 . 1 . . 218 . . 5 GLU H . 27199 1 6 . 1 1 5 5 GLU N N 15 120.034 . . 1 . . 219 . . 5 GLU N . 27199 1 7 . 1 1 6 6 LYS H H 1 8.748 0.015 . 1 . . 40 . . 6 LYS H . 27199 1 8 . 1 1 6 6 LYS HA H 1 3.912 . . 1 . . 175 . . 6 LYS HA . 27199 1 9 . 1 1 6 6 LYS N N 15 117.083 0.075 . 1 . . 41 . . 6 LYS N . 27199 1 10 . 1 1 7 7 ALA H H 1 8.111 0.018 . 1 . . 84 . . 7 ALA H . 27199 1 11 . 1 1 7 7 ALA HA H 1 4.227 0.004 . 1 . . 210 . . 7 ALA HA . 27199 1 12 . 1 1 7 7 ALA N N 15 123.883 0.02 . 1 . . 85 . . 7 ALA N . 27199 1 13 . 1 1 9 9 VAL H H 1 8.008 . . 1 . . 208 . . 9 VAL H . 27199 1 14 . 1 1 9 9 VAL N N 15 117.689 . . 1 . . 209 . . 9 VAL N . 27199 1 15 . 1 1 10 10 ALA H H 1 8.076 0.01 . 1 . . 123 . . 10 ALA H . 27199 1 16 . 1 1 10 10 ALA HA H 1 4.279 . . 1 . . 206 . . 10 ALA HA . 27199 1 17 . 1 1 10 10 ALA HB1 H 1 1.587 . . 1 . . 207 . . 10 ALA HB1 . 27199 1 18 . 1 1 10 10 ALA HB2 H 1 1.587 . . 1 . . 207 . . 10 ALA HB2 . 27199 1 19 . 1 1 10 10 ALA HB3 H 1 1.587 . . 1 . . 207 . . 10 ALA HB3 . 27199 1 20 . 1 1 10 10 ALA N N 15 122.351 0.005 . 1 . . 124 . . 10 ALA N . 27199 1 21 . 1 1 11 11 LEU H H 1 8.158 0.017 . 1 . . 30 . . 11 LEU H . 27199 1 22 . 1 1 11 11 LEU N N 15 117.782 0.022 . 1 . . 31 . . 11 LEU N . 27199 1 23 . 1 1 12 12 ILE H H 1 8.504 0.001 . 1 . . 26 . . 12 ILE H . 27199 1 24 . 1 1 12 12 ILE N N 15 119.719 0.008 . 1 . . 27 . . 12 ILE N . 27199 1 25 . 1 1 13 13 ASP H H 1 8.755 0.017 . 1 . . 3 . . 13 ASP H . 27199 1 26 . 1 1 13 13 ASP N N 15 122.376 0.061 . 1 . . 4 . . 13 ASP N . 27199 1 27 . 1 1 14 14 VAL H H 1 8.884 0.009 . 1 . . 42 . . 14 VAL H . 27199 1 28 . 1 1 14 14 VAL N N 15 121.289 0.047 . 1 . . 43 . . 14 VAL N . 27199 1 29 . 1 1 15 15 PHE H H 1 7.985 0.015 . 1 . . 117 . . 15 PHE H . 27199 1 30 . 1 1 15 15 PHE HD1 H 1 7.127 0.006 . 1 . . 205 . . 15 PHE HD1 . 27199 1 31 . 1 1 15 15 PHE HD2 H 1 7.127 0.006 . 1 . . 205 . . 15 PHE HD2 . 27199 1 32 . 1 1 15 15 PHE N N 15 119.852 0.011 . 1 . . 118 . . 15 PHE N . 27199 1 33 . 1 1 16 16 HIS H H 1 8.113 0.01 . 1 . . 183 . . 16 HIS H . 27199 1 34 . 1 1 16 16 HIS N N 15 115.877 0.043 . 1 . . 184 . . 16 HIS N . 27199 1 35 . 1 1 17 17 GLN H H 1 8.316 0.008 . 1 . . 181 . . 17 GLN H . 27199 1 36 . 1 1 17 17 GLN HE21 H 1 7.240 . . 1 . . 9 . . 17 GLN HE21 . 27199 1 37 . 1 1 17 17 GLN HE22 H 1 6.930 . . 1 . . 19 . . 17 GLN HE22 . 27199 1 38 . 1 1 17 17 GLN N N 15 122.743 0.027 . 1 . . 182 . . 17 GLN N . 27199 1 39 . 1 1 17 17 GLN NE2 N 15 110.902 0.001 . 1 . . 20 . . 17 GLN NE2 . 27199 1 40 . 1 1 18 18 TYR H H 1 7.192 0.011 . 1 . . 15 . . 18 TYR H . 27199 1 41 . 1 1 18 18 TYR N N 15 115.674 0.016 . 1 . . 16 . . 18 TYR N . 27199 1 42 . 1 1 19 19 SER H H 1 9.295 0.013 . 1 . . 50 . . 19 SER H . 27199 1 43 . 1 1 19 19 SER N N 15 116.085 0.1 . 1 . . 51 . . 19 SER N . 27199 1 44 . 1 1 20 20 GLY H H 1 7.745 0.011 . 1 . . 62 . . 20 GLY H . 27199 1 45 . 1 1 20 20 GLY HA2 H 1 3.847 . . 2 . . 170 . . 20 GLY HA2 . 27199 1 46 . 1 1 20 20 GLY HA3 H 1 3.970 . . 2 . . 171 . . 20 GLY HA3 . 27199 1 47 . 1 1 20 20 GLY N N 15 110.112 0.035 . 1 . . 63 . . 20 GLY N . 27199 1 48 . 1 1 21 21 ARG H H 1 7.077 0.018 . 1 . . 127 . . 21 ARG H . 27199 1 49 . 1 1 21 21 ARG HB2 H 1 2.165 . . 1 . . 174 . . 21 ARG HB2 . 27199 1 50 . 1 1 21 21 ARG HG2 H 1 1.939 . . 1 . . 173 . . 21 ARG HG2 . 27199 1 51 . 1 1 21 21 ARG HD2 H 1 3.241 0.007 . 1 . . 172 . . 21 ARG HD2 . 27199 1 52 . 1 1 21 21 ARG N N 15 121.077 0.038 . 1 . . 128 . . 21 ARG N . 27199 1 53 . 1 1 22 22 GLU H H 1 9.477 0.014 . 1 . . 7 . . 22 GLU H . 27199 1 54 . 1 1 22 22 GLU N N 15 115.983 0.011 . 1 . . 8 . . 22 GLU N . 27199 1 55 . 1 1 25 25 LYS H H 1 9.586 0.016 . 1 . . 163 . . 25 LYS H . 27199 1 56 . 1 1 25 25 LYS HA H 1 4.395 0.001 . 1 . . 232 . . 25 LYS HA . 27199 1 57 . 1 1 25 25 LYS N N 15 114.516 12.225 . 1 . . 164 . . 25 LYS N . 27199 1 58 . 1 1 26 26 HIS H H 1 9.598 0.009 . 1 . . 36 . . 26 HIS H . 27199 1 59 . 1 1 26 26 HIS HA H 1 4.812 0.002 . 1 . . 169 . . 26 HIS HA . 27199 1 60 . 1 1 26 26 HIS HB2 H 1 3.673 . . 2 . . 176 . . 26 HIS HB2 . 27199 1 61 . 1 1 26 26 HIS HB3 H 1 3.186 . . 2 . . 177 . . 26 HIS HB3 . 27199 1 62 . 1 1 26 26 HIS N N 15 119.174 0.051 . 1 . . 37 . . 26 HIS N . 27199 1 63 . 1 1 27 27 LYS H H 1 7.034 0.017 . 1 . . 105 . . 27 LYS H . 27199 1 64 . 1 1 27 27 LYS HB2 H 1 1.660 . . 1 . . 179 . . 27 LYS HB2 . 27199 1 65 . 1 1 27 27 LYS HG2 H 1 1.323 . . 1 . . 178 . . 27 LYS HG2 . 27199 1 66 . 1 1 27 27 LYS N N 15 114.939 0.021 . 1 . . 106 . . 27 LYS N . 27199 1 67 . 1 1 28 28 LEU H H 1 9.566 0.016 . 1 . . 139 . . 28 LEU H . 27199 1 68 . 1 1 28 28 LEU N N 15 125.744 0.019 . 1 . . 140 . . 28 LEU N . 27199 1 69 . 1 1 29 29 LYS H H 1 9.637 0.015 . 1 . . 137 . . 29 LYS H . 27199 1 70 . 1 1 29 29 LYS N N 15 123.772 0.027 . 1 . . 138 . . 29 LYS N . 27199 1 71 . 1 1 30 30 LYS H H 1 9.033 0.021 . 1 . . 34 . . 30 LYS H . 27199 1 72 . 1 1 30 30 LYS HA H 1 4.688 . . 1 . . 185 . . 30 LYS HA . 27199 1 73 . 1 1 30 30 LYS HB2 H 1 1.918 0.005 . 1 . . 186 . . 30 LYS HB2 . 27199 1 74 . 1 1 30 30 LYS N N 15 121.297 0.017 . 1 . . 35 . . 30 LYS N . 27199 1 75 . 1 1 31 31 SER H H 1 8.310 0.015 . 1 . . 133 . . 31 SER H . 27199 1 76 . 1 1 31 31 SER N N 15 111.137 0.011 . 1 . . 134 . . 31 SER N . 27199 1 77 . 1 1 32 32 GLU H H 1 6.549 0.003 . 1 . . 142 . . 32 GLU H . 27199 1 78 . 1 1 32 32 GLU N N 15 123.675 0.029 . 1 . . 143 . . 32 GLU N . 27199 1 79 . 1 1 33 33 LEU H H 1 8.214 0.009 . 1 . . 88 . . 33 LEU H . 27199 1 80 . 1 1 33 33 LEU HA H 1 4.802 0.006 . 1 . . 180 . . 33 LEU HA . 27199 1 81 . 1 1 33 33 LEU HB2 H 1 2.419 . . 1 . . 189 . . 33 LEU HB2 . 27199 1 82 . 1 1 33 33 LEU HG H 1 1.834 . . 1 . . 188 . . 33 LEU HG . 27199 1 83 . 1 1 33 33 LEU HD11 H 1 0.982 . . 1 . . 187 . . 33 LEU HD11 . 27199 1 84 . 1 1 33 33 LEU HD12 H 1 0.982 . . 1 . . 187 . . 33 LEU HD12 . 27199 1 85 . 1 1 33 33 LEU HD13 H 1 0.982 . . 1 . . 187 . . 33 LEU HD13 . 27199 1 86 . 1 1 33 33 LEU N N 15 114.584 0.043 . 1 . . 89 . . 33 LEU N . 27199 1 87 . 1 1 34 34 LYS H H 1 8.358 0.029 . 1 . . 80 . . 34 LYS H . 27199 1 88 . 1 1 34 34 LYS N N 15 118.173 0.013 . 1 . . 81 . . 34 LYS N . 27199 1 89 . 1 1 35 35 GLU H H 1 7.284 0.007 . 1 . . 146 . . 35 GLU H . 27199 1 90 . 1 1 35 35 GLU N N 15 115.356 0.013 . 1 . . 147 . . 35 GLU N . 27199 1 91 . 1 1 36 36 LEU H H 1 7.987 0.011 . 1 . . 121 . . 36 LEU H . 27199 1 92 . 1 1 36 36 LEU HA H 1 3.959 . . 1 . . 190 . . 36 LEU HA . 27199 1 93 . 1 1 36 36 LEU N N 15 123.308 0.015 . 1 . . 122 . . 36 LEU N . 27199 1 94 . 1 1 37 37 ILE H H 1 8.461 0.009 . 1 . . 191 . . 37 ILE H . 27199 1 95 . 1 1 37 37 ILE N N 15 121.021 0.004 . 1 . . 192 . . 37 ILE N . 27199 1 96 . 1 1 38 38 ASN H H 1 8.399 . . 1 . . 224 . . 38 ASN H . 27199 1 97 . 1 1 38 38 ASN N N 15 117.930 . . 1 . . 225 . . 38 ASN N . 27199 1 98 . 1 1 39 39 ASN H H 1 8.214 0.01 . 1 . . 194 . . 39 ASN H . 27199 1 99 . 1 1 39 39 ASN HD21 H 1 7.243 0.01 . 1 . . 159 . . 39 ASN HD21 . 27199 1 100 . 1 1 39 39 ASN HD22 H 1 8.132 0.015 . 1 . . 211 . . 39 ASN HD22 . 27199 1 101 . 1 1 39 39 ASN N N 15 114.712 0.059 . 1 . . 193 . . 39 ASN N . 27199 1 102 . 1 1 39 39 ASN ND2 N 15 114.009 0.051 . 1 . . 160 . . 39 ASN ND2 . 27199 1 103 . 1 1 40 40 GLU H H 1 8.497 0.013 . 1 . . 52 . . 40 GLU H . 27199 1 104 . 1 1 40 40 GLU HB2 H 1 2.396 . . 1 . . 166 . . 40 GLU HB2 . 27199 1 105 . 1 1 40 40 GLU HG2 H 1 2.728 . . 1 . . 165 . . 40 GLU HG2 . 27199 1 106 . 1 1 40 40 GLU N N 15 113.193 0.034 . 1 . . 53 . . 40 GLU N . 27199 1 107 . 1 1 41 41 LEU H H 1 7.421 0.014 . 1 . . 131 . . 41 LEU H . 27199 1 108 . 1 1 41 41 LEU N N 15 119.230 0.079 . 1 . . 132 . . 41 LEU N . 27199 1 109 . 1 1 42 42 SER H H 1 7.628 0.016 . 1 . . 74 . . 42 SER H . 27199 1 110 . 1 1 42 42 SER N N 15 114.560 0.172 . 1 . . 75 . . 42 SER N . 27199 1 111 . 1 1 45 45 LEU H H 1 8.583 0.008 . 1 . . 213 . . 45 LEU H . 27199 1 112 . 1 1 45 45 LEU N N 15 119.146 0.021 . 1 . . 212 . . 45 LEU N . 27199 1 113 . 1 1 46 46 GLU H H 1 8.191 0.011 . 1 . . 48 . . 46 GLU H . 27199 1 114 . 1 1 46 46 GLU N N 15 122.732 0.053 . 1 . . 49 . . 46 GLU N . 27199 1 115 . 1 1 47 47 GLU H H 1 8.122 0.012 . 1 . . 111 . . 47 GLU H . 27199 1 116 . 1 1 47 47 GLU N N 15 120.147 0.09 . 1 . . 112 . . 47 GLU N . 27199 1 117 . 1 1 49 49 LYS H H 1 9.273 0.016 . 1 . . 157 . . 49 LYS H . 27199 1 118 . 1 1 49 49 LYS HA H 1 4.014 0.006 . 1 . . 197 . . 49 LYS HA . 27199 1 119 . 1 1 49 49 LYS N N 15 126.844 0.021 . 1 . . 158 . . 49 LYS N . 27199 1 120 . 1 1 50 50 GLU H H 1 7.546 0.016 . 1 . . 95 . . 50 GLU H . 27199 1 121 . 1 1 50 50 GLU HA H 1 4.571 . . 1 . . 198 . . 50 GLU HA . 27199 1 122 . 1 1 50 50 GLU N N 15 118.023 0.023 . 1 . . 96 . . 50 GLU N . 27199 1 123 . 1 1 51 51 GLN H H 1 9.136 0.016 . 1 . . 70 . . 51 GLN H . 27199 1 124 . 1 1 51 51 GLN HE21 H 1 7.907 0.009 . 1 . . 14 . . 51 GLN HE21 . 27199 1 125 . 1 1 51 51 GLN HE22 H 1 7.008 0.011 . 1 . . 97 . . 51 GLN HE22 . 27199 1 126 . 1 1 51 51 GLN N N 15 125.746 0.048 . 1 . . 71 . . 51 GLN N . 27199 1 127 . 1 1 51 51 GLN NE2 N 15 114.154 0.014 . 1 . . 98 . . 51 GLN NE2 . 27199 1 128 . 1 1 52 52 GLU H H 1 9.409 0.014 . 1 . . 154 . . 52 GLU H . 27199 1 129 . 1 1 52 52 GLU HA H 1 4.151 0.005 . 1 . . 196 . . 52 GLU HA . 27199 1 130 . 1 1 52 52 GLU N N 15 116.640 0.085 . 1 . . 141 . . 52 GLU N . 27199 1 131 . 1 1 53 53 VAL H H 1 7.154 0.016 . 1 . . 152 . . 53 VAL H . 27199 1 132 . 1 1 53 53 VAL HA H 1 3.733 0.009 . 1 . . 195 . . 53 VAL HA . 27199 1 133 . 1 1 53 53 VAL N N 15 118.484 0.038 . 1 . . 153 . . 53 VAL N . 27199 1 134 . 1 1 54 54 VAL H H 1 7.155 0.017 . 1 . . 150 . . 54 VAL H . 27199 1 135 . 1 1 54 54 VAL HA H 1 3.702 0.001 . 1 . . 200 . . 54 VAL HA . 27199 1 136 . 1 1 54 54 VAL N N 15 119.475 0.059 . 1 . . 151 . . 54 VAL N . 27199 1 137 . 1 1 55 55 ASP H H 1 8.588 0.01 . 1 . . 58 . . 55 ASP H . 27199 1 138 . 1 1 55 55 ASP HA H 1 4.126 . . 1 . . 199 . . 55 ASP HA . 27199 1 139 . 1 1 55 55 ASP N N 15 121.352 0.023 . 1 . . 59 . . 55 ASP N . 27199 1 140 . 1 1 56 56 LYS H H 1 7.535 0.011 . 1 . . 5 . . 56 LYS H . 27199 1 141 . 1 1 56 56 LYS N N 15 120.601 0.013 . 1 . . 6 . . 56 LYS N . 27199 1 142 . 1 1 57 57 VAL H H 1 8.205 0.008 . 1 . . 201 . . 57 VAL H . 27199 1 143 . 1 1 57 57 VAL N N 15 121.517 0.059 . 1 . . 202 . . 57 VAL N . 27199 1 144 . 1 1 58 58 MET H H 1 8.430 0.022 . 1 . . 107 . . 58 MET H . 27199 1 145 . 1 1 58 58 MET N N 15 118.204 0.046 . 1 . . 108 . . 58 MET N . 27199 1 146 . 1 1 59 59 GLU H H 1 8.073 0.009 . 1 . . 24 . . 59 GLU H . 27199 1 147 . 1 1 59 59 GLU N N 15 117.537 0.01 . 1 . . 25 . . 59 GLU N . 27199 1 148 . 1 1 60 60 THR H H 1 7.789 0.021 . 1 . . 162 . . 60 THR H . 27199 1 149 . 1 1 60 60 THR N N 15 112.820 0.011 . 1 . . 161 . . 60 THR N . 27199 1 150 . 1 1 61 61 LEU H H 1 7.600 0.013 . 1 . . 125 . . 61 LEU H . 27199 1 151 . 1 1 61 61 LEU N N 15 119.077 0.009 . 1 . . 126 . . 61 LEU N . 27199 1 152 . 1 1 62 62 ASP H H 1 7.947 0.014 . 1 . . 32 . . 62 ASP H . 27199 1 153 . 1 1 62 62 ASP N N 15 117.408 0.014 . 1 . . 33 . . 62 ASP N . 27199 1 154 . 1 1 63 63 ASN H H 1 8.945 0.012 . 1 . . 17 . . 63 ASN H . 27199 1 155 . 1 1 63 63 ASN N N 15 127.190 0.011 . 1 . . 18 . . 63 ASN N . 27199 1 156 . 1 1 64 64 ASP H H 1 8.240 0.013 . 1 . . 64 . . 64 ASP H . 27199 1 157 . 1 1 64 64 ASP N N 15 116.148 0.017 . 1 . . 65 . . 64 ASP N . 27199 1 158 . 1 1 65 65 GLY H H 1 7.644 0.011 . 1 . . 129 . . 65 GLY H . 27199 1 159 . 1 1 65 65 GLY N N 15 108.959 0.02 . 1 . . 130 . . 65 GLY N . 27199 1 160 . 1 1 66 66 ASP H H 1 8.325 0.007 . 1 . . 66 . . 66 ASP H . 27199 1 161 . 1 1 66 66 ASP N N 15 120.509 0.016 . 1 . . 67 . . 66 ASP N . 27199 1 162 . 1 1 67 67 GLY H H 1 10.213 0.015 . 1 . . 115 . . 67 GLY H . 27199 1 163 . 1 1 67 67 GLY HA2 H 1 4.009 . . 2 . . 167 . . 67 GLY HA2 . 27199 1 164 . 1 1 67 67 GLY HA3 H 1 4.087 . . 2 . . 168 . . 67 GLY HA3 . 27199 1 165 . 1 1 67 67 GLY N N 15 113.500 0.022 . 1 . . 116 . . 67 GLY N . 27199 1 166 . 1 1 68 68 GLU H H 1 7.907 0.009 . 1 . . 92 . . 68 GLU H . 27199 1 167 . 1 1 68 68 GLU N N 15 118.275 0.022 . 1 . . 93 . . 68 GLU N . 27199 1 168 . 1 1 69 69 CYS H H 1 9.473 0.024 . 1 . . 86 . . 69 CYS H . 27199 1 169 . 1 1 69 69 CYS N N 15 124.345 0.032 . 1 . . 87 . . 69 CYS N . 27199 1 170 . 1 1 70 70 ASP H H 1 9.855 0.011 . 1 . . 101 . . 70 ASP H . 27199 1 171 . 1 1 70 70 ASP N N 15 114.742 12.236 . 1 . . 102 . . 70 ASP N . 27199 1 172 . 1 1 71 71 PHE H H 1 9.095 0.012 . 1 . . 56 . . 71 PHE H . 27199 1 173 . 1 1 71 71 PHE N N 15 118.889 0.007 . 1 . . 57 . . 71 PHE N . 27199 1 174 . 1 1 72 72 GLN H H 1 8.069 0.008 . 1 . . 68 . . 72 GLN H . 27199 1 175 . 1 1 72 72 GLN HE21 H 1 6.972 0.013 . 1 . . 12 . . 72 GLN HE21 . 27199 1 176 . 1 1 72 72 GLN HE22 H 1 7.708 0.011 . 1 . . 94 . . 72 GLN HE22 . 27199 1 177 . 1 1 72 72 GLN N N 15 118.904 0.029 . 1 . . 69 . . 72 GLN N . 27199 1 178 . 1 1 72 72 GLN NE2 N 15 112.924 0.033 . 1 . . 13 . . 72 GLN NE2 . 27199 1 179 . 1 1 73 73 GLU H H 1 9.086 0.011 . 1 . . 76 . . 73 GLU H . 27199 1 180 . 1 1 73 73 GLU N N 15 122.739 0.009 . 1 . . 77 . . 73 GLU N . 27199 1 181 . 1 1 74 74 PHE H H 1 8.849 0.011 . 1 . . 22 . . 74 PHE H . 27199 1 182 . 1 1 74 74 PHE N N 15 123.129 0.018 . 1 . . 23 . . 74 PHE N . 27199 1 183 . 1 1 75 75 MET H H 1 8.214 0.01 . 1 . . 44 . . 75 MET H . 27199 1 184 . 1 1 75 75 MET N N 15 119.209 0.022 . 1 . . 45 . . 75 MET N . 27199 1 185 . 1 1 76 76 ALA H H 1 7.447 0.011 . 1 . . 82 . . 76 ALA H . 27199 1 186 . 1 1 76 76 ALA HA H 1 4.104 . . 1 . . 203 . . 76 ALA HA . 27199 1 187 . 1 1 76 76 ALA N N 15 122.611 0.036 . 1 . . 83 . . 76 ALA N . 27199 1 188 . 1 1 77 77 PHE H H 1 7.665 0.011 . 1 . . 1 . . 77 PHE H . 27199 1 189 . 1 1 77 77 PHE N N 15 122.244 0.02 . 1 . . 2 . . 77 PHE N . 27199 1 190 . 1 1 78 78 VAL H H 1 8.566 0.021 . 1 . . 103 . . 78 VAL H . 27199 1 191 . 1 1 78 78 VAL N N 15 120.146 0.001 . 1 . . 104 . . 78 VAL N . 27199 1 192 . 1 1 79 79 ALA H H 1 8.172 0.009 . 1 . . 113 . . 79 ALA H . 27199 1 193 . 1 1 79 79 ALA N N 15 123.703 0.039 . 1 . . 114 . . 79 ALA N . 27199 1 194 . 1 1 80 80 MET H H 1 7.796 0.007 . 1 . . 119 . . 80 MET H . 27199 1 195 . 1 1 80 80 MET N N 15 120.300 0.013 . 1 . . 120 . . 80 MET N . 27199 1 196 . 1 1 81 81 VAL H H 1 8.325 0.005 . 1 . . 226 . . 81 VAL H . 27199 1 197 . 1 1 81 81 VAL N N 15 120.477 0.024 . 1 . . 227 . . 81 VAL N . 27199 1 198 . 1 1 83 83 THR H H 1 7.773 . . 1 . . 90 . . 83 THR H . 27199 1 199 . 1 1 83 83 THR N N 15 114.104 . . 1 . . 91 . . 83 THR N . 27199 1 200 . 1 1 84 84 ALA H H 1 7.487 0.014 . 1 . . 148 . . 84 ALA H . 27199 1 201 . 1 1 84 84 ALA HA H 1 4.296 . . 1 . . 204 . . 84 ALA HA . 27199 1 202 . 1 1 84 84 ALA N N 15 122.171 0.01 . 1 . . 149 . . 84 ALA N . 27199 1 203 . 1 1 85 85 CYS H H 1 7.675 0.017 . 1 . . 155 . . 85 CYS H . 27199 1 204 . 1 1 85 85 CYS N N 15 116.643 0.044 . 1 . . 156 . . 85 CYS N . 27199 1 205 . 1 1 86 86 HIS H H 1 8.252 0.001 . 1 . . 10 . . 86 HIS H . 27199 1 206 . 1 1 86 86 HIS N N 15 121.589 0.014 . 1 . . 11 . . 86 HIS N . 27199 1 207 . 1 1 87 87 GLU H H 1 10.332 0.031 . 1 . . 214 . . 87 GLU H . 27199 1 208 . 1 1 87 87 GLU N N 15 120.924 0.09 . 1 . . 215 . . 87 GLU N . 27199 1 209 . 1 1 88 88 PHE H H 1 7.719 . . 1 . . 72 . . 88 PHE H . 27199 1 210 . 1 1 88 88 PHE N N 15 117.748 . . 1 . . 73 . . 88 PHE N . 27199 1 211 . 1 1 89 89 PHE H H 1 7.716 0.013 . 1 . . 109 . . 89 PHE H . 27199 1 212 . 1 1 89 89 PHE N N 15 118.403 0.028 . 1 . . 110 . . 89 PHE N . 27199 1 213 . 1 1 90 90 GLU H H 1 7.993 0.013 . 1 . . 54 . . 90 GLU H . 27199 1 214 . 1 1 90 90 GLU N N 15 120.915 0.108 . 1 . . 55 . . 90 GLU N . 27199 1 215 . 1 1 91 91 HIS H H 1 8.332 . . 1 . . 230 . . 91 HIS H . 27199 1 216 . 1 1 91 91 HIS N N 15 120.579 . . 1 . . 231 . . 91 HIS N . 27199 1 217 . 1 1 92 92 GLU H H 1 8.240 0.011 . 1 . . 99 . . 92 GLU H . 27199 1 218 . 1 1 92 92 GLU N N 15 127.579 0.012 . 1 . . 100 . . 92 GLU N . 27199 1 stop_ save_