################################### # 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 51543 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name R238A-NS1B-CTD_5'ppp-hpRNA _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'spectrum resolution' _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' . . . 51543 1 2 '2D 1H-15N TROSY' . . . 51543 1 3 '3D HNCO' . . . 51543 1 4 '3D HNCA' . . . 51543 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 . . 51543 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 ILE H H 1 8.391 0.02 . 1 . . . . . 143 ILE H . 51543 1 2 . 1 . 1 1 1 ILE N N 15 120.918 0.2 . 1 . . . . . 143 ILE N . 51543 1 3 . 1 . 1 2 2 GLU H H 1 8.423 0.02 . 1 . . . . . 144 GLU H . 51543 1 4 . 1 . 1 2 2 GLU N N 15 124.71 0.2 . 1 . . . . . 144 GLU N . 51543 1 5 . 1 . 1 3 3 VAL H H 1 9.412 0.02 . 1 . . . . . 145 VAL H . 51543 1 6 . 1 . 1 3 3 VAL N N 15 120.485 0.2 . 1 . . . . . 145 VAL N . 51543 1 7 . 1 . 1 4 4 VAL H H 1 8.793 0.02 . 1 . . . . . 146 VAL H . 51543 1 8 . 1 . 1 4 4 VAL N N 15 127.307 0.2 . 1 . . . . . 146 VAL N . 51543 1 9 . 1 . 1 5 5 LEU H H 1 8.975 0.02 . 1 . . . . . 147 LEU H . 51543 1 10 . 1 . 1 5 5 LEU N N 15 129.798 0.2 . 1 . . . . . 147 LEU N . 51543 1 11 . 1 . 1 6 6 ARG H H 1 8.455 0.02 . 1 . . . . . 148 ARG H . 51543 1 12 . 1 . 1 6 6 ARG N N 15 119.296 0.2 . 1 . . . . . 148 ARG N . 51543 1 13 . 1 . 1 7 7 ASP H H 1 8.795 0.02 . 1 . . . . . 149 ASP H . 51543 1 14 . 1 . 1 7 7 ASP N N 15 122.576 0.2 . 1 . . . . . 149 ASP N . 51543 1 15 . 1 . 1 8 8 MET H H 1 9.279 0.02 . 1 . . . . . 150 MET H . 51543 1 16 . 1 . 1 8 8 MET N N 15 118.719 0.2 . 1 . . . . . 150 MET N . 51543 1 17 . 1 . 1 9 9 ASN H H 1 9.11 0.02 . 1 . . . . . 151 ASN H . 51543 1 18 . 1 . 1 9 9 ASN N N 15 120.34 0.2 . 1 . . . . . 151 ASN N . 51543 1 19 . 1 . 1 10 10 ASN H H 1 8.473 0.02 . 1 . . . . . 152 ASN H . 51543 1 20 . 1 . 1 10 10 ASN N N 15 116.745 0.2 . 1 . . . . . 152 ASN N . 51543 1 21 . 1 . 1 11 11 LYS H H 1 8.041 0.02 . 1 . . . . . 153 LYS H . 51543 1 22 . 1 . 1 11 11 LYS N N 15 120.26 0.2 . 1 . . . . . 153 LYS N . 51543 1 23 . 1 . 1 12 12 ASP H H 1 8.545 0.02 . 1 . . . . . 154 ASP H . 51543 1 24 . 1 . 1 12 12 ASP N N 15 121.661 0.2 . 1 . . . . . 154 ASP N . 51543 1 25 . 1 . 1 13 13 ALA H H 1 7.927 0.02 . 1 . . . . . 155 ALA H . 51543 1 26 . 1 . 1 13 13 ALA N N 15 120.039 0.2 . 1 . . . . . 155 ALA N . 51543 1 27 . 1 . 1 14 14 ARG H H 1 7.239 0.02 . 1 . . . . . 156 ARG H . 51543 1 28 . 1 . 1 14 14 ARG N N 15 112.867 0.2 . 1 . . . . . 156 ARG N . 51543 1 29 . 1 . 1 15 15 GLN H H 1 7.255 0.02 . 1 . . . . . 157 GLN H . 51543 1 30 . 1 . 1 15 15 GLN N N 15 122.462 0.2 . 1 . . . . . 157 GLN N . 51543 1 31 . 1 . 1 16 16 LYS H H 1 8.495 0.02 . 1 . . . . . 158 LYS H . 51543 1 32 . 1 . 1 16 16 LYS N N 15 123.493 0.2 . 1 . . . . . 158 LYS N . 51543 1 33 . 1 . 1 18 18 LYS H H 1 8.625 0.02 . 1 . . . . . 160 LYS H . 51543 1 34 . 1 . 1 18 18 LYS N N 15 128.652 0.2 . 1 . . . . . 160 LYS N . 51543 1 35 . 1 . 1 19 19 ASP H H 1 7.626 0.02 . 1 . . . . . 161 ASP H . 51543 1 36 . 1 . 1 19 19 ASP N N 15 117.368 0.2 . 1 . . . . . 161 ASP N . 51543 1 37 . 1 . 1 20 20 GLU H H 1 8.585 0.02 . 1 . . . . . 162 GLU H . 51543 1 38 . 1 . 1 20 20 GLU N N 15 117.634 0.2 . 1 . . . . . 162 GLU N . 51543 1 39 . 1 . 1 21 21 VAL H H 1 8.53 0.02 . 1 . . . . . 163 VAL H . 51543 1 40 . 1 . 1 21 21 VAL N N 15 114.216 0.2 . 1 . . . . . 163 VAL N . 51543 1 41 . 1 . 1 22 22 ASN H H 1 9.131 0.02 . 1 . . . . . 164 ASN H . 51543 1 42 . 1 . 1 22 22 ASN N N 15 118.405 0.2 . 1 . . . . . 164 ASN N . 51543 1 43 . 1 . 1 23 23 THR H H 1 8.557 0.02 . 1 . . . . . 165 THR H . 51543 1 44 . 1 . 1 23 23 THR N N 15 113.224 0.2 . 1 . . . . . 165 THR N . 51543 1 45 . 1 . 1 24 24 GLN H H 1 8.999 0.02 . 1 . . . . . 166 GLN H . 51543 1 46 . 1 . 1 24 24 GLN N N 15 123.177 0.2 . 1 . . . . . 166 GLN N . 51543 1 47 . 1 . 1 26 26 GLU H H 1 8.125 0.02 . 1 . . . . . 168 GLU H . 51543 1 48 . 1 . 1 26 26 GLU N N 15 123.263 0.2 . 1 . . . . . 168 GLU N . 51543 1 49 . 1 . 1 27 27 GLY H H 1 8.981 0.02 . 1 . . . . . 169 GLY H . 51543 1 50 . 1 . 1 27 27 GLY N N 15 115.961 0.2 . 1 . . . . . 169 GLY N . 51543 1 51 . 1 . 1 28 28 LYS H H 1 9.612 0.02 . 1 . . . . . 170 LYS H . 51543 1 52 . 1 . 1 28 28 LYS N N 15 128.068 0.2 . 1 . . . . . 170 LYS N . 51543 1 53 . 1 . 1 29 29 PHE H H 1 8.514 0.02 . 1 . . . . . 171 PHE H . 51543 1 54 . 1 . 1 29 29 PHE N N 15 115.462 0.2 . 1 . . . . . 171 PHE N . 51543 1 55 . 1 . 1 30 30 ARG H H 1 8.884 0.02 . 1 . . . . . 172 ARG H . 51543 1 56 . 1 . 1 30 30 ARG N N 15 120.912 0.2 . 1 . . . . . 172 ARG N . 51543 1 57 . 1 . 1 31 31 LEU H H 1 9.386 0.02 . 1 . . . . . 173 LEU H . 51543 1 58 . 1 . 1 31 31 LEU N N 15 130.82 0.2 . 1 . . . . . 173 LEU N . 51543 1 59 . 1 . 1 32 32 THR H H 1 9.25 0.02 . 1 . . . . . 174 THR H . 51543 1 60 . 1 . 1 32 32 THR N N 15 124.589 0.2 . 1 . . . . . 174 THR N . 51543 1 61 . 1 . 1 33 33 ILE H H 1 9.056 0.02 . 1 . . . . . 175 ILE H . 51543 1 62 . 1 . 1 33 33 ILE N N 15 123.773 0.2 . 1 . . . . . 175 ILE N . 51543 1 63 . 1 . 1 34 34 LYS H H 1 8.522 0.02 . 1 . . . . . 176 LYS H . 51543 1 64 . 1 . 1 34 34 LYS N N 15 126.583 0.2 . 1 . . . . . 176 LYS N . 51543 1 65 . 1 . 1 35 35 ARG H H 1 8.429 0.02 . 1 . . . . . 177 ARG H . 51543 1 66 . 1 . 1 35 35 ARG N N 15 123.809 0.2 . 1 . . . . . 177 ARG N . 51543 1 67 . 1 . 1 36 36 ASP H H 1 8.416 0.02 . 1 . . . . . 178 ASP H . 51543 1 68 . 1 . 1 36 36 ASP N N 15 117.258 0.2 . 1 . . . . . 178 ASP N . 51543 1 69 . 1 . 1 37 37 ILE H H 1 7.737 0.02 . 1 . . . . . 179 ILE H . 51543 1 70 . 1 . 1 37 37 ILE N N 15 119.444 0.2 . 1 . . . . . 179 ILE N . 51543 1 71 . 1 . 1 38 38 ARG H H 1 8.282 0.02 . 1 . . . . . 180 ARG H . 51543 1 72 . 1 . 1 38 38 ARG N N 15 122.192 0.2 . 1 . . . . . 180 ARG N . 51543 1 73 . 1 . 1 39 39 ASN H H 1 8.217 0.02 . 1 . . . . . 181 ASN H . 51543 1 74 . 1 . 1 39 39 ASN N N 15 113.98 0.2 . 1 . . . . . 181 ASN N . 51543 1 75 . 1 . 1 40 40 VAL H H 1 7.816 0.02 . 1 . . . . . 182 VAL H . 51543 1 76 . 1 . 1 40 40 VAL N N 15 121.98 0.2 . 1 . . . . . 182 VAL N . 51543 1 77 . 1 . 1 42 42 SER H H 1 7.754 0.02 . 1 . . . . . 184 SER H . 51543 1 78 . 1 . 1 42 42 SER N N 15 110.555 0.2 . 1 . . . . . 184 SER N . 51543 1 79 . 1 . 1 43 43 LEU H H 1 8.088 0.02 . 1 . . . . . 185 LEU H . 51543 1 80 . 1 . 1 43 43 LEU N N 15 117.034 0.2 . 1 . . . . . 185 LEU N . 51543 1 81 . 1 . 1 44 44 ARG H H 1 8.967 0.02 . 1 . . . . . 186 ARG H . 51543 1 82 . 1 . 1 44 44 ARG N N 15 124.881 0.2 . 1 . . . . . 186 ARG N . 51543 1 83 . 1 . 1 45 45 VAL H H 1 9.065 0.02 . 1 . . . . . 187 VAL H . 51543 1 84 . 1 . 1 45 45 VAL N N 15 126.254 0.2 . 1 . . . . . 187 VAL N . 51543 1 85 . 1 . 1 46 46 LEU H H 1 9.066 0.02 . 1 . . . . . 188 LEU H . 51543 1 86 . 1 . 1 46 46 LEU N N 15 127.244 0.2 . 1 . . . . . 188 LEU N . 51543 1 87 . 1 . 1 47 47 VAL H H 1 10.378 0.02 . 1 . . . . . 189 VAL H . 51543 1 88 . 1 . 1 47 47 VAL N N 15 122.512 0.2 . 1 . . . . . 189 VAL N . 51543 1 89 . 1 . 1 48 48 ASN H H 1 8.49 0.02 . 1 . . . . . 190 ASN H . 51543 1 90 . 1 . 1 48 48 ASN N N 15 122.827 0.2 . 1 . . . . . 190 ASN N . 51543 1 91 . 1 . 1 49 49 GLY H H 1 9.281 0.02 . 1 . . . . . 191 GLY H . 51543 1 92 . 1 . 1 49 49 GLY N N 15 110.43 0.2 . 1 . . . . . 191 GLY N . 51543 1 93 . 1 . 1 50 50 THR H H 1 9.027 0.02 . 1 . . . . . 192 THR H . 51543 1 94 . 1 . 1 50 50 THR N N 15 116.748 0.2 . 1 . . . . . 192 THR N . 51543 1 95 . 1 . 1 51 51 PHE H H 1 9.867 0.02 . 1 . . . . . 193 PHE H . 51543 1 96 . 1 . 1 51 51 PHE N N 15 126.185 0.2 . 1 . . . . . 193 PHE N . 51543 1 97 . 1 . 1 52 52 LEU H H 1 9.132 0.02 . 1 . . . . . 194 LEU H . 51543 1 98 . 1 . 1 52 52 LEU N N 15 121.722 0.2 . 1 . . . . . 194 LEU N . 51543 1 99 . 1 . 1 53 53 LYS H H 1 9.041 0.02 . 1 . . . . . 195 LYS H . 51543 1 100 . 1 . 1 53 53 LYS N N 15 124.875 0.2 . 1 . . . . . 195 LYS N . 51543 1 101 . 1 . 1 54 54 HIS H H 1 9.022 0.02 . 1 . . . . . 196 HIS H . 51543 1 102 . 1 . 1 54 54 HIS N N 15 126.066 0.2 . 1 . . . . . 196 HIS N . 51543 1 103 . 1 . 1 56 56 ASN H H 1 8.117 0.02 . 1 . . . . . 198 ASN H . 51543 1 104 . 1 . 1 56 56 ASN N N 15 114.166 0.2 . 1 . . . . . 198 ASN N . 51543 1 105 . 1 . 1 57 57 GLY H H 1 8.397 0.02 . 1 . . . . . 199 GLY H . 51543 1 106 . 1 . 1 57 57 GLY N N 15 109.145 0.2 . 1 . . . . . 199 GLY N . 51543 1 107 . 1 . 1 58 58 ASP H H 1 8.093 0.02 . 1 . . . . . 200 ASP H . 51543 1 108 . 1 . 1 58 58 ASP N N 15 122.229 0.2 . 1 . . . . . 200 ASP N . 51543 1 109 . 1 . 1 59 59 LYS H H 1 8.65 0.02 . 1 . . . . . 201 LYS H . 51543 1 110 . 1 . 1 59 59 LYS N N 15 119.1 0.2 . 1 . . . . . 201 LYS N . 51543 1 111 . 1 . 1 60 60 SER H H 1 8.867 0.02 . 1 . . . . . 202 SER H . 51543 1 112 . 1 . 1 60 60 SER N N 15 115.646 0.2 . 1 . . . . . 202 SER N . 51543 1 113 . 1 . 1 61 61 LEU H H 1 9.365 0.02 . 1 . . . . . 203 LEU H . 51543 1 114 . 1 . 1 61 61 LEU N N 15 127.566 0.2 . 1 . . . . . 203 LEU N . 51543 1 115 . 1 . 1 62 62 SER H H 1 8.964 0.02 . 1 . . . . . 204 SER H . 51543 1 116 . 1 . 1 62 62 SER N N 15 124.207 0.2 . 1 . . . . . 204 SER N . 51543 1 117 . 1 . 1 63 63 THR H H 1 7.779 0.02 . 1 . . . . . 205 THR H . 51543 1 118 . 1 . 1 63 63 THR N N 15 115.69 0.2 . 1 . . . . . 205 THR N . 51543 1 119 . 1 . 1 64 64 LEU H H 1 9.288 0.02 . 1 . . . . . 206 LEU H . 51543 1 120 . 1 . 1 64 64 LEU N N 15 128.886 0.2 . 1 . . . . . 206 LEU N . 51543 1 121 . 1 . 1 65 65 HIS H H 1 8.132 0.02 . 1 . . . . . 207 HIS H . 51543 1 122 . 1 . 1 65 65 HIS N N 15 127.545 0.2 . 1 . . . . . 207 HIS N . 51543 1 123 . 1 . 1 66 66 ARG H H 1 7.827 0.02 . 1 . . . . . 208 ARG H . 51543 1 124 . 1 . 1 66 66 ARG N N 15 112.677 0.2 . 1 . . . . . 208 ARG N . 51543 1 125 . 1 . 1 67 67 LEU H H 1 8.583 0.02 . 1 . . . . . 209 LEU H . 51543 1 126 . 1 . 1 67 67 LEU N N 15 128.677 0.2 . 1 . . . . . 209 LEU N . 51543 1 127 . 1 . 1 68 68 ASN H H 1 9.281 0.02 . 1 . . . . . 210 ASN H . 51543 1 128 . 1 . 1 68 68 ASN N N 15 125.954 0.2 . 1 . . . . . 210 ASN N . 51543 1 129 . 1 . 1 69 69 ALA H H 1 8.404 0.02 . 1 . . . . . 211 ALA H . 51543 1 130 . 1 . 1 69 69 ALA N N 15 121.707 0.2 . 1 . . . . . 211 ALA N . 51543 1 131 . 1 . 1 70 70 TYR H H 1 9.458 0.02 . 1 . . . . . 212 TYR H . 51543 1 132 . 1 . 1 70 70 TYR N N 15 122.17 0.2 . 1 . . . . . 212 TYR N . 51543 1 133 . 1 . 1 71 71 ASP H H 1 9.203 0.02 . 1 . . . . . 213 ASP H . 51543 1 134 . 1 . 1 71 71 ASP N N 15 119.775 0.2 . 1 . . . . . 213 ASP N . 51543 1 135 . 1 . 1 72 72 GLN H H 1 8.843 0.02 . 1 . . . . . 214 GLN H . 51543 1 136 . 1 . 1 72 72 GLN N N 15 117.149 0.2 . 1 . . . . . 214 GLN N . 51543 1 137 . 1 . 1 73 73 ASN H H 1 8.765 0.02 . 1 . . . . . 215 ASN H . 51543 1 138 . 1 . 1 73 73 ASN N N 15 119.915 0.2 . 1 . . . . . 215 ASN N . 51543 1 139 . 1 . 1 74 74 GLY H H 1 8.225 0.02 . 1 . . . . . 216 GLY H . 51543 1 140 . 1 . 1 74 74 GLY N N 15 109.143 0.2 . 1 . . . . . 216 GLY N . 51543 1 141 . 1 . 1 75 75 GLY H H 1 9.259 0.02 . 1 . . . . . 217 GLY H . 51543 1 142 . 1 . 1 75 75 GLY N N 15 112.533 0.2 . 1 . . . . . 217 GLY N . 51543 1 143 . 1 . 1 76 76 LEU H H 1 8.765 0.02 . 1 . . . . . 218 LEU H . 51543 1 144 . 1 . 1 76 76 LEU N N 15 127.223 0.2 . 1 . . . . . 218 LEU N . 51543 1 145 . 1 . 1 78 78 ALA H H 1 7.628 0.02 . 1 . . . . . 220 ALA H . 51543 1 146 . 1 . 1 78 78 ALA N N 15 119.245 0.2 . 1 . . . . . 220 ALA N . 51543 1 147 . 1 . 1 79 79 LYS H H 1 9.036 0.02 . 1 . . . . . 221 LYS H . 51543 1 148 . 1 . 1 79 79 LYS N N 15 117.856 0.2 . 1 . . . . . 221 LYS N . 51543 1 149 . 1 . 1 80 80 LEU H H 1 9.455 0.02 . 1 . . . . . 222 LEU H . 51543 1 150 . 1 . 1 80 80 LEU N N 15 126.026 0.2 . 1 . . . . . 222 LEU N . 51543 1 151 . 1 . 1 81 81 VAL H H 1 8.384 0.02 . 1 . . . . . 223 VAL H . 51543 1 152 . 1 . 1 81 81 VAL N N 15 118.738 0.2 . 1 . . . . . 223 VAL N . 51543 1 153 . 1 . 1 82 82 ALA H H 1 8.499 0.02 . 1 . . . . . 224 ALA H . 51543 1 154 . 1 . 1 82 82 ALA N N 15 120.833 0.2 . 1 . . . . . 224 ALA N . 51543 1 155 . 1 . 1 83 83 THR H H 1 9.282 0.02 . 1 . . . . . 225 THR H . 51543 1 156 . 1 . 1 83 83 THR N N 15 112.003 0.2 . 1 . . . . . 225 THR N . 51543 1 157 . 1 . 1 84 84 ASP H H 1 7.296 0.02 . 1 . . . . . 226 ASP H . 51543 1 158 . 1 . 1 84 84 ASP N N 15 117.81 0.2 . 1 . . . . . 226 ASP N . 51543 1 159 . 1 . 1 85 85 ASP H H 1 8.645 0.02 . 1 . . . . . 227 ASP H . 51543 1 160 . 1 . 1 85 85 ASP N N 15 120.606 0.2 . 1 . . . . . 227 ASP N . 51543 1 161 . 1 . 1 86 86 LEU H H 1 9.057 0.02 . 1 . . . . . 228 LEU H . 51543 1 162 . 1 . 1 86 86 LEU N N 15 120.495 0.2 . 1 . . . . . 228 LEU N . 51543 1 163 . 1 . 1 87 87 THR H H 1 9.793 0.02 . 1 . . . . . 229 THR H . 51543 1 164 . 1 . 1 87 87 THR N N 15 113.131 0.2 . 1 . . . . . 229 THR N . 51543 1 165 . 1 . 1 88 88 VAL H H 1 8.818 0.02 . 1 . . . . . 230 VAL H . 51543 1 166 . 1 . 1 88 88 VAL N N 15 121.062 0.2 . 1 . . . . . 230 VAL N . 51543 1 167 . 1 . 1 89 89 GLU H H 1 8.261 0.02 . 1 . . . . . 231 GLU H . 51543 1 168 . 1 . 1 89 89 GLU N N 15 119.762 0.2 . 1 . . . . . 231 GLU N . 51543 1 169 . 1 . 1 90 90 ASP H H 1 8.04 0.02 . 1 . . . . . 232 ASP H . 51543 1 170 . 1 . 1 90 90 ASP N N 15 116.992 0.2 . 1 . . . . . 232 ASP N . 51543 1 171 . 1 . 1 91 91 GLU H H 1 7.83 0.02 . 1 . . . . . 233 GLU H . 51543 1 172 . 1 . 1 91 91 GLU N N 15 120.697 0.2 . 1 . . . . . 233 GLU N . 51543 1 173 . 1 . 1 92 92 LYS H H 1 8.229 0.02 . 1 . . . . . 234 LYS H . 51543 1 174 . 1 . 1 92 92 LYS N N 15 118.955 0.2 . 1 . . . . . 234 LYS N . 51543 1 175 . 1 . 1 93 93 ASP H H 1 8.195 0.02 . 1 . . . . . 235 ASP H . 51543 1 176 . 1 . 1 93 93 ASP N N 15 121.821 0.2 . 1 . . . . . 235 ASP N . 51543 1 177 . 1 . 1 94 94 GLY H H 1 8.142 0.02 . 1 . . . . . 236 GLY H . 51543 1 178 . 1 . 1 94 94 GLY N N 15 108.294 0.2 . 1 . . . . . 236 GLY N . 51543 1 179 . 1 . 1 95 95 HIS H H 1 8.692 0.02 . 1 . . . . . 237 HIS H . 51543 1 180 . 1 . 1 95 95 HIS N N 15 119.865 0.2 . 1 . . . . . 237 HIS N . 51543 1 181 . 1 . 1 96 96 ARG H H 1 8.138 0.02 . 1 . . . . . 238 ARG H . 51543 1 182 . 1 . 1 96 96 ARG N N 15 118.727 0.2 . 1 . . . . . 238 ARG N . 51543 1 183 . 1 . 1 97 97 ILE H H 1 8.571 0.02 . 1 . . . . . 239 ILE H . 51543 1 184 . 1 . 1 97 97 ILE N N 15 120.974 0.2 . 1 . . . . . 239 ILE N . 51543 1 185 . 1 . 1 98 98 LEU H H 1 7.377 0.02 . 1 . . . . . 240 LEU H . 51543 1 186 . 1 . 1 98 98 LEU N N 15 121.964 0.2 . 1 . . . . . 240 LEU N . 51543 1 187 . 1 . 1 99 99 ASN H H 1 7.856 0.02 . 1 . . . . . 241 ASN H . 51543 1 188 . 1 . 1 99 99 ASN N N 15 119.38 0.2 . 1 . . . . . 241 ASN N . 51543 1 189 . 1 . 1 100 100 SER H H 1 7.702 0.02 . 1 . . . . . 242 SER H . 51543 1 190 . 1 . 1 100 100 SER N N 15 113.364 0.2 . 1 . . . . . 242 SER N . 51543 1 191 . 1 . 1 101 101 LEU H H 1 7.334 0.02 . 1 . . . . . 243 LEU H . 51543 1 192 . 1 . 1 101 101 LEU N N 15 120.549 0.2 . 1 . . . . . 243 LEU N . 51543 1 193 . 1 . 1 102 102 PHE H H 1 7.939 0.02 . 1 . . . . . 244 PHE H . 51543 1 194 . 1 . 1 102 102 PHE N N 15 114.812 0.2 . 1 . . . . . 244 PHE N . 51543 1 195 . 1 . 1 103 103 GLU H H 1 9.037 0.02 . 1 . . . . . 245 GLU H . 51543 1 196 . 1 . 1 103 103 GLU N N 15 120.052 0.2 . 1 . . . . . 245 GLU N . 51543 1 197 . 1 . 1 104 104 ARG H H 1 7.463 0.02 . 1 . . . . . 246 ARG H . 51543 1 198 . 1 . 1 104 104 ARG N N 15 117.362 0.2 . 1 . . . . . 246 ARG N . 51543 1 199 . 1 . 1 105 105 PHE H H 1 8.207 0.02 . 1 . . . . . 247 PHE H . 51543 1 200 . 1 . 1 105 105 PHE N N 15 118.89 0.2 . 1 . . . . . 247 PHE N . 51543 1 201 . 1 . 1 106 106 ASP H H 1 8.312 0.02 . 1 . . . . . 248 ASP H . 51543 1 202 . 1 . 1 106 106 ASP N N 15 108.933 0.2 . 1 . . . . . 248 ASP N . 51543 1 203 . 1 . 1 108 108 GLY H H 1 8.06 0.02 . 1 . . . . . 250 GLY H . 51543 1 204 . 1 . 1 108 108 GLY N N 15 118.69 0.2 . 1 . . . . . 250 GLY N . 51543 1 205 . 1 . 1 109 109 HIS H H 1 8.994 0.02 . 1 . . . . . 251 HIS H . 51543 1 206 . 1 . 1 109 109 HIS N N 15 116.838 0.2 . 1 . . . . . 251 HIS N . 51543 1 207 . 1 . 1 110 110 SER H H 1 8.561 0.02 . 1 . . . . . 252 SER H . 51543 1 208 . 1 . 1 110 110 SER N N 15 125.884 0.2 . 1 . . . . . 252 SER N . 51543 1 209 . 1 . 1 113 113 ILE H H 1 8.235 0.02 . 1 . . . . . 255 ILE H . 51543 1 210 . 1 . 1 113 113 ILE N N 15 121.639 0.2 . 1 . . . . . 255 ILE N . 51543 1 211 . 1 . 1 114 114 ARG H H 1 8.726 0.02 . 1 . . . . . 256 ARG H . 51543 1 212 . 1 . 1 114 114 ARG N N 15 125.323 0.2 . 1 . . . . . 256 ARG N . 51543 1 213 . 1 . 1 115 115 ALA H H 1 8.744 0.02 . 1 . . . . . 257 ALA H . 51543 1 214 . 1 . 1 115 115 ALA N N 15 122.707 0.2 . 1 . . . . . 257 ALA N . 51543 1 215 . 1 . 1 116 116 ALA H H 1 7.824 0.02 . 1 . . . . . 258 ALA H . 51543 1 216 . 1 . 1 116 116 ALA N N 15 123.806 0.2 . 1 . . . . . 258 ALA N . 51543 1 217 . 1 . 1 117 117 GLU H H 1 8.491 0.02 . 1 . . . . . 259 GLU H . 51543 1 218 . 1 . 1 117 117 GLU N N 15 117.267 0.2 . 1 . . . . . 259 GLU N . 51543 1 219 . 1 . 1 118 118 THR H H 1 11.003 0.02 . 1 . . . . . 260 THR H . 51543 1 220 . 1 . 1 118 118 THR N N 15 122.065 0.2 . 1 . . . . . 260 THR N . 51543 1 221 . 1 . 1 119 119 ALA H H 1 8.723 0.02 . 1 . . . . . 261 ALA H . 51543 1 222 . 1 . 1 119 119 ALA N N 15 126.293 0.2 . 1 . . . . . 261 ALA N . 51543 1 223 . 1 . 1 120 120 VAL H H 1 8.686 0.02 . 1 . . . . . 262 VAL H . 51543 1 224 . 1 . 1 120 120 VAL N N 15 119.588 0.2 . 1 . . . . . 262 VAL N . 51543 1 225 . 1 . 1 121 121 GLY H H 1 7.333 0.02 . 1 . . . . . 263 GLY H . 51543 1 226 . 1 . 1 121 121 GLY N N 15 106.212 0.2 . 1 . . . . . 263 GLY N . 51543 1 227 . 1 . 1 122 122 VAL H H 1 7.529 0.02 . 1 . . . . . 264 VAL H . 51543 1 228 . 1 . 1 122 122 VAL N N 15 122.721 0.2 . 1 . . . . . 264 VAL N . 51543 1 229 . 1 . 1 123 123 LEU H H 1 8.936 0.02 . 1 . . . . . 265 LEU H . 51543 1 230 . 1 . 1 123 123 LEU N N 15 118.853 0.2 . 1 . . . . . 265 LEU N . 51543 1 231 . 1 . 1 124 124 SER H H 1 8.368 0.02 . 1 . . . . . 266 SER H . 51543 1 232 . 1 . 1 124 124 SER N N 15 113.998 0.2 . 1 . . . . . 266 SER N . 51543 1 233 . 1 . 1 125 125 GLN H H 1 8.018 0.02 . 1 . . . . . 267 GLN H . 51543 1 234 . 1 . 1 125 125 GLN N N 15 124.476 0.2 . 1 . . . . . 267 GLN N . 51543 1 235 . 1 . 1 126 126 PHE H H 1 7.474 0.02 . 1 . . . . . 268 PHE H . 51543 1 236 . 1 . 1 126 126 PHE N N 15 112.207 0.2 . 1 . . . . . 268 PHE N . 51543 1 237 . 1 . 1 127 127 GLY H H 1 7.912 0.02 . 1 . . . . . 269 GLY H . 51543 1 238 . 1 . 1 127 127 GLY N N 15 109.577 0.2 . 1 . . . . . 269 GLY N . 51543 1 239 . 1 . 1 128 128 GLN H H 1 8.666 0.02 . 1 . . . . . 270 GLN H . 51543 1 240 . 1 . 1 128 128 GLN N N 15 114.026 0.2 . 1 . . . . . 270 GLN N . 51543 1 241 . 1 . 1 129 129 GLU H H 1 9.346 0.02 . 1 . . . . . 271 GLU H . 51543 1 242 . 1 . 1 129 129 GLU N N 15 123.182 0.2 . 1 . . . . . 271 GLU N . 51543 1 243 . 1 . 1 130 130 HIS H H 1 8.457 0.02 . 1 . . . . . 272 HIS H . 51543 1 244 . 1 . 1 130 130 HIS N N 15 117.297 0.2 . 1 . . . . . 272 HIS N . 51543 1 245 . 1 . 1 131 131 ARG H H 1 7.16 0.02 . 1 . . . . . 273 ARG H . 51543 1 246 . 1 . 1 131 131 ARG N N 15 117.361 0.2 . 1 . . . . . 273 ARG N . 51543 1 247 . 1 . 1 132 132 LEU H H 1 7.11 0.02 . 1 . . . . . 274 LEU H . 51543 1 248 . 1 . 1 132 132 LEU N N 15 115.835 0.2 . 1 . . . . . 274 LEU N . 51543 1 249 . 1 . 1 133 133 SER H H 1 8.55 0.02 . 1 . . . . . 275 SER H . 51543 1 250 . 1 . 1 133 133 SER N N 15 118.332 0.2 . 1 . . . . . 275 SER N . 51543 1 251 . 1 . 1 135 135 GLU H H 1 8.628 0.02 . 1 . . . . . 277 GLU H . 51543 1 252 . 1 . 1 135 135 GLU N N 15 121.493 0.2 . 1 . . . . . 277 GLU N . 51543 1 253 . 1 . 1 136 136 GLU H H 1 8.611 0.02 . 1 . . . . . 278 GLU H . 51543 1 254 . 1 . 1 136 136 GLU N N 15 122.317 0.2 . 1 . . . . . 278 GLU N . 51543 1 255 . 1 . 1 137 137 GLY H H 1 8.431 0.02 . 1 . . . . . 279 GLY H . 51543 1 256 . 1 . 1 137 137 GLY N N 15 110.235 0.2 . 1 . . . . . 279 GLY N . 51543 1 257 . 1 . 1 138 138 ASP H H 1 8.291 0.02 . 1 . . . . . 280 ASP H . 51543 1 258 . 1 . 1 138 138 ASP N N 15 120.84 0.2 . 1 . . . . . 280 ASP N . 51543 1 259 . 1 . 1 139 139 ASN H H 1 8.019 0.02 . 1 . . . . . 281 ASN H . 51543 1 260 . 1 . 1 139 139 ASN N N 15 124.011 0.2 . 1 . . . . . 281 ASN N . 51543 1 stop_ save_