################################### # 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 51524 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BARD1_S141-216 complex with dsDNA, backbone assignments' _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' . . . 51524 1 2 '2D 1H-13C HSQC' . . . 51524 1 3 '3D HNCACB' . . . 51524 1 4 '3D CBCACONH' . . . 51524 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 $software_2 . . 51524 1 3 $software_3 . . 51524 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 SER CA C 13 58.494 0.2 . 1 . . . . . 142 S CA . 51524 1 2 . 1 . 1 3 3 SER CB C 13 63.801 0.2 . 1 . . . . . 142 S CB . 51524 1 3 . 1 . 1 4 4 ILE H H 1 8.148 0.01 . 1 . . . . . 143 I H . 51524 1 4 . 1 . 1 4 4 ILE CA C 13 61.332 0.2 . 1 . . . . . 143 I CA . 51524 1 5 . 1 . 1 4 4 ILE CB C 13 38.630 0.2 . 1 . . . . . 143 I CB . 51524 1 6 . 1 . 1 4 4 ILE N N 15 122.479 0.1 . 1 . . . . . 143 I N . 51524 1 7 . 1 . 1 5 5 LYS H H 1 8.275 0.01 . 1 . . . . . 144 K H . 51524 1 8 . 1 . 1 5 5 LYS CA C 13 56.281 0.2 . 1 . . . . . 144 K CA . 51524 1 9 . 1 . 1 5 5 LYS CB C 13 32.865 0.2 . 1 . . . . . 144 K CB . 51524 1 10 . 1 . 1 5 5 LYS N N 15 125.251 0.1 . 1 . . . . . 144 K N . 51524 1 11 . 1 . 1 6 6 MET H H 1 8.216 0.01 . 1 . . . . . 145 M H . 51524 1 12 . 1 . 1 6 6 MET CA C 13 55.419 0.2 . 1 . . . . . 145 M CA . 51524 1 13 . 1 . 1 6 6 MET CB C 13 32.928 0.2 . 1 . . . . . 145 M CB . 51524 1 14 . 1 . 1 6 6 MET N N 15 121.539 0.1 . 1 . . . . . 145 M N . 51524 1 15 . 1 . 1 7 7 TRP H H 1 7.994 0.01 . 1 . . . . . 146 W H . 51524 1 16 . 1 . 1 7 7 TRP HE1 H 1 10.109 0.01 . 1 . . . . . 146 W HE1 . 51524 1 17 . 1 . 1 7 7 TRP CA C 13 57.145 0.2 . 1 . . . . . 146 W CA . 51524 1 18 . 1 . 1 7 7 TRP CB C 13 29.904 0.2 . 1 . . . . . 146 W CB . 51524 1 19 . 1 . 1 7 7 TRP N N 15 121.737 0.1 . 1 . . . . . 146 W N . 51524 1 20 . 1 . 1 7 7 TRP NE1 N 15 129.465 0.1 . 1 . . . . . 146 W NE1 . 51524 1 21 . 1 . 1 8 8 PHE H H 1 7.868 0.01 . 1 . . . . . 147 F H . 51524 1 22 . 1 . 1 8 8 PHE CA C 13 57.050 0.2 . 1 . . . . . 147 F CA . 51524 1 23 . 1 . 1 8 8 PHE CB C 13 40.107 0.2 . 1 . . . . . 147 F CB . 51524 1 24 . 1 . 1 8 8 PHE N N 15 121.315 0.1 . 1 . . . . . 147 F N . 51524 1 25 . 1 . 1 9 9 SER H H 1 8.094 0.01 . 1 . . . . . 148 S H . 51524 1 26 . 1 . 1 9 9 SER CA C 13 55.903 0.2 . 1 . . . . . 148 S CA . 51524 1 27 . 1 . 1 9 9 SER CB C 13 63.577 0.2 . 1 . . . . . 148 S CB . 51524 1 28 . 1 . 1 9 9 SER N N 15 118.556 0.1 . 1 . . . . . 148 S N . 51524 1 29 . 1 . 1 10 10 PRO CA C 13 63.579 0.2 . 1 . . . . . 149 P CA . 51524 1 30 . 1 . 1 10 10 PRO CB C 13 32.075 0.2 . 1 . . . . . 149 P CB . 51524 1 31 . 1 . 1 11 11 ARG H H 1 8.371 0.01 . 1 . . . . . 150 R H . 51524 1 32 . 1 . 1 11 11 ARG CA C 13 56.201 0.2 . 1 . . . . . 150 R CA . 51524 1 33 . 1 . 1 11 11 ARG CB C 13 30.507 0.2 . 1 . . . . . 150 R CB . 51524 1 34 . 1 . 1 11 11 ARG N N 15 120.106 0.1 . 1 . . . . . 150 R N . 51524 1 35 . 1 . 1 12 12 SER H H 1 8.138 0.01 . 1 . . . . . 151 S H . 51524 1 36 . 1 . 1 12 12 SER CA C 13 58.376 0.2 . 1 . . . . . 151 S CA . 51524 1 37 . 1 . 1 12 12 SER CB C 13 63.984 0.2 . 1 . . . . . 151 S CB . 51524 1 38 . 1 . 1 12 12 SER N N 15 116.193 0.1 . 1 . . . . . 151 S N . 51524 1 39 . 1 . 1 13 13 LYS H H 1 8.316 0.01 . 1 . . . . . 152 K H . 51524 1 40 . 1 . 1 13 13 LYS CA C 13 55.731 0.2 . 1 . . . . . 152 K CA . 51524 1 41 . 1 . 1 13 13 LYS CB C 13 32.935 0.2 . 1 . . . . . 152 K CB . 51524 1 42 . 1 . 1 13 13 LYS N N 15 123.156 0.1 . 1 . . . . . 152 K N . 51524 1 43 . 1 . 1 14 14 LYS H H 1 8.226 0.01 . 1 . . . . . 153 K H . 51524 1 44 . 1 . 1 14 14 LYS CA C 13 56.359 0.2 . 1 . . . . . 153 K CA . 51524 1 45 . 1 . 1 14 14 LYS CB C 13 32.981 0.2 . 1 . . . . . 153 K CB . 51524 1 46 . 1 . 1 14 14 LYS N N 15 122.392 0.1 . 1 . . . . . 153 K N . 51524 1 47 . 1 . 1 15 15 VAL H H 1 8.112 0.01 . 1 . . . . . 154 V H . 51524 1 48 . 1 . 1 15 15 VAL CA C 13 62.319 0.2 . 1 . . . . . 154 V CA . 51524 1 49 . 1 . 1 15 15 VAL CB C 13 32.784 0.2 . 1 . . . . . 154 V CB . 51524 1 50 . 1 . 1 15 15 VAL N N 15 121.935 0.1 . 1 . . . . . 154 V N . 51524 1 51 . 1 . 1 16 16 ARG H H 1 8.329 0.01 . 1 . . . . . 155 R H . 51524 1 52 . 1 . 1 16 16 ARG CA C 13 55.837 0.2 . 1 . . . . . 155 R CA . 51524 1 53 . 1 . 1 16 16 ARG CB C 13 30.992 0.2 . 1 . . . . . 155 R CB . 51524 1 54 . 1 . 1 16 16 ARG N N 15 125.098 0.1 . 1 . . . . . 155 R N . 51524 1 55 . 1 . 1 17 17 TYR H H 1 8.243 0.01 . 1 . . . . . 156 Y H . 51524 1 56 . 1 . 1 17 17 TYR CA C 13 57.699 0.2 . 1 . . . . . 156 Y CA . 51524 1 57 . 1 . 1 17 17 TYR CB C 13 38.986 0.2 . 1 . . . . . 156 Y CB . 51524 1 58 . 1 . 1 17 17 TYR N N 15 122.044 0.1 . 1 . . . . . 156 Y N . 51524 1 59 . 1 . 1 18 18 VAL H H 1 8.124 0.01 . 1 . . . . . 157 V H . 51524 1 60 . 1 . 1 18 18 VAL CA C 13 62.025 0.2 . 1 . . . . . 157 V CA . 51524 1 61 . 1 . 1 18 18 VAL CB C 13 33.180 0.2 . 1 . . . . . 157 V CB . 51524 1 62 . 1 . 1 18 18 VAL N N 15 122.956 0.1 . 1 . . . . . 157 V N . 51524 1 63 . 1 . 1 19 19 VAL H H 1 8.250 0.01 . 1 . . . . . 158 V H . 51524 1 64 . 1 . 1 19 19 VAL CA C 13 62.285 0.2 . 1 . . . . . 158 V CA . 51524 1 65 . 1 . 1 19 19 VAL CB C 13 32.797 0.2 . 1 . . . . . 158 V CB . 51524 1 66 . 1 . 1 19 19 VAL N N 15 124.738 0.1 . 1 . . . . . 158 V N . 51524 1 67 . 1 . 1 20 20 SER H H 1 8.390 0.01 . 1 . . . . . 159 S H . 51524 1 68 . 1 . 1 20 20 SER CA C 13 58.236 0.2 . 1 . . . . . 159 S CA . 51524 1 69 . 1 . 1 20 20 SER CB C 13 63.816 0.2 . 1 . . . . . 159 S CB . 51524 1 70 . 1 . 1 20 20 SER N N 15 119.962 0.1 . 1 . . . . . 159 S N . 51524 1 71 . 1 . 1 21 21 LYS CA C 13 56.395 0.2 . 1 . . . . . 160 K CA . 51524 1 72 . 1 . 1 21 21 LYS CB C 13 32.911 0.2 . 1 . . . . . 160 K CB . 51524 1 73 . 1 . 1 22 22 ALA H H 1 8.275 0.01 . 1 . . . . . 161 A H . 51524 1 74 . 1 . 1 22 22 ALA CA C 13 52.633 0.2 . 1 . . . . . 161 A CA . 51524 1 75 . 1 . 1 22 22 ALA CB C 13 19.222 0.2 . 1 . . . . . 161 A CB . 51524 1 76 . 1 . 1 22 22 ALA N N 15 124.582 0.1 . 1 . . . . . 161 A N . 51524 1 77 . 1 . 1 23 23 SER H H 1 8.241 0.01 . 1 . . . . . 162 S H . 51524 1 78 . 1 . 1 23 23 SER CA C 13 58.348 0.2 . 1 . . . . . 162 S CA . 51524 1 79 . 1 . 1 23 23 SER CB C 13 63.863 0.2 . 1 . . . . . 162 S CB . 51524 1 80 . 1 . 1 23 23 SER N N 15 115.203 0.1 . 1 . . . . . 162 S N . 51524 1 81 . 1 . 1 24 24 VAL H H 1 8.080 0.01 . 1 . . . . . 163 V H . 51524 1 82 . 1 . 1 24 24 VAL CA C 13 62.544 0.2 . 1 . . . . . 163 V CA . 51524 1 83 . 1 . 1 24 24 VAL CB C 13 32.775 0.2 . 1 . . . . . 163 V CB . 51524 1 84 . 1 . 1 24 24 VAL N N 15 121.365 0.1 . 1 . . . . . 163 V N . 51524 1 85 . 1 . 1 25 25 GLN H H 1 8.441 0.01 . 1 . . . . . 164 Q H . 51524 1 86 . 1 . 1 25 25 GLN CA C 13 55.899 0.2 . 1 . . . . . 164 Q CA . 51524 1 87 . 1 . 1 25 25 GLN CB C 13 29.513 0.2 . 1 . . . . . 164 Q CB . 51524 1 88 . 1 . 1 25 25 GLN N N 15 123.790 0.1 . 1 . . . . . 164 Q N . 51524 1 89 . 1 . 1 26 26 THR H H 1 8.186 0.01 . 1 . . . . . 165 T H . 51524 1 90 . 1 . 1 26 26 THR CA C 13 62.028 0.2 . 1 . . . . . 165 T CA . 51524 1 91 . 1 . 1 26 26 THR CB C 13 69.850 0.2 . 1 . . . . . 165 T CB . 51524 1 92 . 1 . 1 26 26 THR N N 15 115.965 0.1 . 1 . . . . . 165 T N . 51524 1 93 . 1 . 1 27 27 GLN H H 1 8.382 0.01 . 1 . . . . . 166 Q H . 51524 1 94 . 1 . 1 27 27 GLN CA C 13 53.768 0.2 . 1 . . . . . 166 Q CA . 51524 1 95 . 1 . 1 27 27 GLN CB C 13 28.927 0.2 . 1 . . . . . 166 Q CB . 51524 1 96 . 1 . 1 27 27 GLN N N 15 123.713 0.1 . 1 . . . . . 166 Q N . 51524 1 97 . 1 . 1 28 28 PRO CA C 13 63.139 0.2 . 1 . . . . . 167 P CA . 51524 1 98 . 1 . 1 28 28 PRO CB C 13 32.105 0.2 . 1 . . . . . 167 P CB . 51524 1 99 . 1 . 1 29 29 ALA H H 1 8.378 0.01 . 1 . . . . . 168 A H . 51524 1 100 . 1 . 1 29 29 ALA CA C 13 52.550 0.2 . 1 . . . . . 168 A CA . 51524 1 101 . 1 . 1 29 29 ALA CB C 13 18.985 0.2 . 1 . . . . . 168 A CB . 51524 1 102 . 1 . 1 29 29 ALA N N 15 124.389 0.1 . 1 . . . . . 168 A N . 51524 1 103 . 1 . 1 30 30 ILE H H 1 8.075 0.01 . 1 . . . . . 169 I H . 51524 1 104 . 1 . 1 30 30 ILE CA C 13 60.907 0.2 . 1 . . . . . 169 I CA . 51524 1 105 . 1 . 1 30 30 ILE CB C 13 38.809 0.2 . 1 . . . . . 169 I CB . 51524 1 106 . 1 . 1 30 30 ILE N N 15 120.394 0.1 . 1 . . . . . 169 I N . 51524 1 107 . 1 . 1 31 31 LYS H H 1 8.376 0.01 . 1 . . . . . 170 K H . 51524 1 108 . 1 . 1 31 31 LYS CA C 13 56.172 0.2 . 1 . . . . . 170 K CA . 51524 1 109 . 1 . 1 31 31 LYS CB C 13 33.061 0.2 . 1 . . . . . 170 K CB . 51524 1 110 . 1 . 1 31 31 LYS N N 15 126.216 0.1 . 1 . . . . . 170 K N . 51524 1 111 . 1 . 1 32 32 LYS CA C 13 56.514 0.2 . 1 . . . . . 171 K CA . 51524 1 112 . 1 . 1 32 32 LYS CB C 13 33.102 0.2 . 1 . . . . . 171 K CB . 51524 1 113 . 1 . 1 33 33 ASP H H 1 8.353 0.01 . 1 . . . . . 172 D H . 51524 1 114 . 1 . 1 33 33 ASP CA C 13 54.180 0.2 . 1 . . . . . 172 D CA . 51524 1 115 . 1 . 1 33 33 ASP CB C 13 41.305 0.2 . 1 . . . . . 172 D CB . 51524 1 116 . 1 . 1 33 33 ASP N N 15 121.702 0.1 . 1 . . . . . 172 D N . 51524 1 117 . 1 . 1 34 34 ALA H H 1 8.368 0.01 . 1 . . . . . 173 A H . 51524 1 118 . 1 . 1 34 34 ALA CA C 13 52.999 0.2 . 1 . . . . . 173 A CA . 51524 1 119 . 1 . 1 34 34 ALA CB C 13 19.056 0.2 . 1 . . . . . 173 A CB . 51524 1 120 . 1 . 1 34 34 ALA N N 15 125.169 0.1 . 1 . . . . . 173 A N . 51524 1 121 . 1 . 1 35 35 SER H H 1 8.342 0.01 . 1 . . . . . 174 S H . 51524 1 122 . 1 . 1 35 35 SER CA C 13 58.910 0.2 . 1 . . . . . 174 S CA . 51524 1 123 . 1 . 1 35 35 SER CB C 13 63.832 0.2 . 1 . . . . . 174 S CB . 51524 1 124 . 1 . 1 35 35 SER N N 15 114.760 0.1 . 1 . . . . . 174 S N . 51524 1 125 . 1 . 1 36 36 ALA H H 1 8.115 0.01 . 1 . . . . . 175 A H . 51524 1 126 . 1 . 1 36 36 ALA CA C 13 52.646 0.2 . 1 . . . . . 175 A CA . 51524 1 127 . 1 . 1 36 36 ALA CB C 13 19.170 0.2 . 1 . . . . . 175 A CB . 51524 1 128 . 1 . 1 36 36 ALA N N 15 125.425 0.1 . 1 . . . . . 175 A N . 51524 1 129 . 1 . 1 37 37 GLN H H 1 8.235 0.01 . 1 . . . . . 176 Q H . 51524 1 130 . 1 . 1 37 37 GLN CA C 13 55.985 0.2 . 1 . . . . . 176 Q CA . 51524 1 131 . 1 . 1 37 37 GLN CB C 13 29.279 0.2 . 1 . . . . . 176 Q CB . 51524 1 132 . 1 . 1 37 37 GLN N N 15 119.271 0.1 . 1 . . . . . 176 Q N . 51524 1 133 . 1 . 1 38 38 GLN H H 1 8.355 0.01 . 1 . . . . . 177 Q H . 51524 1 134 . 1 . 1 38 38 GLN CA C 13 56.167 0.2 . 1 . . . . . 177 Q CA . 51524 1 135 . 1 . 1 38 38 GLN CB C 13 29.433 0.2 . 1 . . . . . 177 Q CB . 51524 1 136 . 1 . 1 38 38 GLN N N 15 121.350 0.1 . 1 . . . . . 177 Q N . 51524 1 137 . 1 . 1 39 39 ASP H H 1 8.385 0.01 . 1 . . . . . 178 D H . 51524 1 138 . 1 . 1 39 39 ASP CA C 13 54.616 0.2 . 1 . . . . . 178 D CA . 51524 1 139 . 1 . 1 39 39 ASP CB C 13 41.272 0.2 . 1 . . . . . 178 D CB . 51524 1 140 . 1 . 1 39 39 ASP N N 15 121.469 0.1 . 1 . . . . . 178 D N . 51524 1 141 . 1 . 1 40 40 SER H H 1 8.113 0.01 . 1 . . . . . 179 S H . 51524 1 142 . 1 . 1 40 40 SER CA C 13 58.342 0.2 . 1 . . . . . 179 S CA . 51524 1 143 . 1 . 1 40 40 SER CB C 13 63.921 0.2 . 1 . . . . . 179 S CB . 51524 1 144 . 1 . 1 40 40 SER N N 15 115.318 0.1 . 1 . . . . . 179 S N . 51524 1 145 . 1 . 1 41 41 TYR H H 1 8.203 0.01 . 1 . . . . . 180 Y H . 51524 1 146 . 1 . 1 41 41 TYR CA C 13 58.151 0.2 . 1 . . . . . 180 Y CA . 51524 1 147 . 1 . 1 41 41 TYR CB C 13 38.727 0.2 . 1 . . . . . 180 Y CB . 51524 1 148 . 1 . 1 41 41 TYR N N 15 122.154 0.1 . 1 . . . . . 180 Y N . 51524 1 149 . 1 . 1 42 42 GLU H H 1 8.157 0.01 . 1 . . . . . 181 E H . 51524 1 150 . 1 . 1 42 42 GLU CA C 13 56.527 0.2 . 1 . . . . . 181 E CA . 51524 1 151 . 1 . 1 42 42 GLU CB C 13 30.484 0.2 . 1 . . . . . 181 E CB . 51524 1 152 . 1 . 1 42 42 GLU N N 15 121.995 0.1 . 1 . . . . . 181 E N . 51524 1 153 . 1 . 1 43 43 PHE H H 1 8.125 0.01 . 1 . . . . . 182 F H . 51524 1 154 . 1 . 1 43 43 PHE CA C 13 57.858 0.2 . 1 . . . . . 182 F CA . 51524 1 155 . 1 . 1 43 43 PHE CB C 13 39.595 0.2 . 1 . . . . . 182 F CB . 51524 1 156 . 1 . 1 43 43 PHE N N 15 121.307 0.1 . 1 . . . . . 182 F N . 51524 1 157 . 1 . 1 44 44 VAL H H 1 7.932 0.01 . 1 . . . . . 183 V H . 51524 1 158 . 1 . 1 44 44 VAL CA C 13 62.015 0.2 . 1 . . . . . 183 V CA . 51524 1 159 . 1 . 1 44 44 VAL CB C 13 33.017 0.2 . 1 . . . . . 183 V CB . 51524 1 160 . 1 . 1 44 44 VAL N N 15 123.126 0.1 . 1 . . . . . 183 V N . 51524 1 161 . 1 . 1 45 45 SER H H 1 8.364 0.01 . 1 . . . . . 184 S H . 51524 1 162 . 1 . 1 45 45 SER CA C 13 56.474 0.2 . 1 . . . . . 184 S CA . 51524 1 163 . 1 . 1 45 45 SER CB C 13 63.386 0.2 . 1 . . . . . 184 S CB . 51524 1 164 . 1 . 1 45 45 SER N N 15 121.452 0.1 . 1 . . . . . 184 S N . 51524 1 165 . 1 . 1 46 46 PRO CA C 13 63.825 0.2 . 1 . . . . . 185 P CA . 51524 1 166 . 1 . 1 46 46 PRO CB C 13 32.079 0.2 . 1 . . . . . 185 P CB . 51524 1 167 . 1 . 1 47 47 SER H H 1 8.355 0.01 . 1 . . . . . 186 S H . 51524 1 168 . 1 . 1 47 47 SER CA C 13 56.667 0.2 . 1 . . . . . 186 S CA . 51524 1 169 . 1 . 1 47 47 SER CB C 13 63.175 0.2 . 1 . . . . . 186 S CB . 51524 1 170 . 1 . 1 47 47 SER N N 15 117.841 0.1 . 1 . . . . . 186 S N . 51524 1 171 . 1 . 1 49 49 PRO CA C 13 63.071 0.2 . 1 . . . . . 188 P CA . 51524 1 172 . 1 . 1 49 49 PRO CB C 13 31.990 0.2 . 1 . . . . . 188 P CB . 51524 1 173 . 1 . 1 50 50 ALA H H 1 8.403 0.01 . 1 . . . . . 189 A H . 51524 1 174 . 1 . 1 50 50 ALA CA C 13 52.756 0.2 . 1 . . . . . 189 A CA . 51524 1 175 . 1 . 1 50 50 ALA CB C 13 19.198 0.2 . 1 . . . . . 189 A CB . 51524 1 176 . 1 . 1 50 50 ALA N N 15 124.148 0.1 . 1 . . . . . 189 A N . 51524 1 177 . 1 . 1 51 51 ASP H H 1 8.331 0.01 . 1 . . . . . 190 D H . 51524 1 178 . 1 . 1 51 51 ASP CA C 13 54.234 0.2 . 1 . . . . . 190 D CA . 51524 1 179 . 1 . 1 51 51 ASP CB C 13 41.171 0.2 . 1 . . . . . 190 D CB . 51524 1 180 . 1 . 1 51 51 ASP N N 15 119.468 0.1 . 1 . . . . . 190 D N . 51524 1 181 . 1 . 1 52 52 VAL H H 1 8.079 0.01 . 1 . . . . . 191 V H . 51524 1 182 . 1 . 1 52 52 VAL CA C 13 62.743 0.2 . 1 . . . . . 191 V CA . 51524 1 183 . 1 . 1 52 52 VAL CB C 13 32.359 0.2 . 1 . . . . . 191 V CB . 51524 1 184 . 1 . 1 52 52 VAL N N 15 120.143 0.1 . 1 . . . . . 191 V N . 51524 1 185 . 1 . 1 53 53 SER H H 1 8.377 0.01 . 1 . . . . . 192 S H . 51524 1 186 . 1 . 1 53 53 SER CA C 13 59.179 0.2 . 1 . . . . . 192 S CA . 51524 1 187 . 1 . 1 53 53 SER CB C 13 63.802 0.2 . 1 . . . . . 192 S CB . 51524 1 188 . 1 . 1 53 53 SER N N 15 118.859 0.1 . 1 . . . . . 192 S N . 51524 1 189 . 1 . 1 54 54 GLU H H 1 8.394 0.01 . 1 . . . . . 193 E H . 51524 1 190 . 1 . 1 54 54 GLU CA C 13 57.334 0.2 . 1 . . . . . 193 E CA . 51524 1 191 . 1 . 1 54 54 GLU CB C 13 29.951 0.2 . 1 . . . . . 193 E CB . 51524 1 192 . 1 . 1 54 54 GLU N N 15 122.715 0.1 . 1 . . . . . 193 E N . 51524 1 193 . 1 . 1 55 55 ARG H H 1 8.207 0.01 . 1 . . . . . 194 R H . 51524 1 194 . 1 . 1 55 55 ARG CA C 13 57.032 0.2 . 1 . . . . . 194 R CA . 51524 1 195 . 1 . 1 55 55 ARG CB C 13 30.256 0.2 . 1 . . . . . 194 R CB . 51524 1 196 . 1 . 1 55 55 ARG N N 15 121.104 0.1 . 1 . . . . . 194 R N . 51524 1 197 . 1 . 1 56 56 ALA H H 1 8.159 0.01 . 1 . . . . . 195 A H . 51524 1 198 . 1 . 1 56 56 ALA CA C 13 53.031 0.2 . 1 . . . . . 195 A CA . 51524 1 199 . 1 . 1 56 56 ALA CB C 13 18.955 0.2 . 1 . . . . . 195 A CB . 51524 1 200 . 1 . 1 56 56 ALA N N 15 124.310 0.1 . 1 . . . . . 195 A N . 51524 1 201 . 1 . 1 57 57 LYS H H 1 8.160 0.01 . 1 . . . . . 196 K H . 51524 1 202 . 1 . 1 57 57 LYS CA C 13 56.906 0.2 . 1 . . . . . 196 K CA . 51524 1 203 . 1 . 1 57 57 LYS CB C 13 33.013 0.2 . 1 . . . . . 196 K CB . 51524 1 204 . 1 . 1 57 57 LYS N N 15 120.611 0.1 . 1 . . . . . 196 K N . 51524 1 205 . 1 . 1 58 58 LYS H H 1 8.278 0.01 . 1 . . . . . 197 K H . 51524 1 206 . 1 . 1 58 58 LYS CA C 13 56.734 0.2 . 1 . . . . . 197 K CA . 51524 1 207 . 1 . 1 58 58 LYS CB C 13 33.038 0.2 . 1 . . . . . 197 K CB . 51524 1 208 . 1 . 1 58 58 LYS N N 15 122.288 0.1 . 1 . . . . . 197 K N . 51524 1 209 . 1 . 1 59 59 ALA H H 1 8.259 0.01 . 1 . . . . . 198 A H . 51524 1 210 . 1 . 1 59 59 ALA CA C 13 52.771 0.2 . 1 . . . . . 198 A CA . 51524 1 211 . 1 . 1 59 59 ALA CB C 13 19.124 0.2 . 1 . . . . . 198 A CB . 51524 1 212 . 1 . 1 59 59 ALA N N 15 124.661 0.1 . 1 . . . . . 198 A N . 51524 1 213 . 1 . 1 60 60 SER H H 1 8.270 0.01 . 1 . . . . . 199 S H . 51524 1 214 . 1 . 1 60 60 SER CA C 13 58.511 0.2 . 1 . . . . . 199 S CA . 51524 1 215 . 1 . 1 60 60 SER CB C 13 63.918 0.2 . 1 . . . . . 199 S CB . 51524 1 216 . 1 . 1 60 60 SER N N 15 115.060 0.1 . 1 . . . . . 199 S N . 51524 1 217 . 1 . 1 61 61 ALA H H 1 8.318 0.01 . 1 . . . . . 200 A H . 51524 1 218 . 1 . 1 61 61 ALA CA C 13 52.937 0.2 . 1 . . . . . 200 A CA . 51524 1 219 . 1 . 1 61 61 ALA CB C 13 19.113 0.2 . 1 . . . . . 200 A CB . 51524 1 220 . 1 . 1 61 61 ALA N N 15 126.010 0.1 . 1 . . . . . 200 A N . 51524 1 221 . 1 . 1 62 62 ARG H H 1 8.278 0.01 . 1 . . . . . 201 R H . 51524 1 222 . 1 . 1 62 62 ARG CA C 13 56.451 0.2 . 1 . . . . . 201 R CA . 51524 1 223 . 1 . 1 62 62 ARG CB C 13 30.668 0.2 . 1 . . . . . 201 R CB . 51524 1 224 . 1 . 1 62 62 ARG N N 15 119.733 0.1 . 1 . . . . . 201 R N . 51524 1 225 . 1 . 1 63 63 SER H H 1 8.304 0.01 . 1 . . . . . 202 S H . 51524 1 226 . 1 . 1 63 63 SER CA C 13 58.649 0.2 . 1 . . . . . 202 S CA . 51524 1 227 . 1 . 1 63 63 SER CB C 13 63.952 0.2 . 1 . . . . . 202 S CB . 51524 1 228 . 1 . 1 63 63 SER N N 15 116.683 0.1 . 1 . . . . . 202 S N . 51524 1 229 . 1 . 1 64 64 GLY H H 1 8.469 0.01 . 1 . . . . . 203 G H . 51524 1 230 . 1 . 1 64 64 GLY CA C 13 45.454 0.2 . 1 . . . . . 203 G CA . 51524 1 231 . 1 . 1 64 64 GLY N N 15 110.937 0.1 . 1 . . . . . 203 G N . 51524 1 232 . 1 . 1 65 65 LYS H H 1 8.197 0.01 . 1 . . . . . 204 K H . 51524 1 233 . 1 . 1 65 65 LYS CA C 13 56.660 0.2 . 1 . . . . . 204 K CA . 51524 1 234 . 1 . 1 65 65 LYS CB C 13 33.045 0.2 . 1 . . . . . 204 K CB . 51524 1 235 . 1 . 1 65 65 LYS N N 15 120.877 0.1 . 1 . . . . . 204 K N . 51524 1 236 . 1 . 1 66 66 LYS CA C 13 56.429 0.2 . 1 . . . . . 205 K CA . 51524 1 237 . 1 . 1 66 66 LYS CB C 13 32.985 0.2 . 1 . . . . . 205 K CB . 51524 1 238 . 1 . 1 67 67 GLN H H 1 8.383 0.01 . 1 . . . . . 206 Q H . 51524 1 239 . 1 . 1 67 67 GLN CA C 13 56.429 0.2 . 1 . . . . . 206 Q CA . 51524 1 240 . 1 . 1 67 67 GLN CB C 13 29.996 0.2 . 1 . . . . . 206 Q CB . 51524 1 241 . 1 . 1 67 67 GLN N N 15 121.873 0.1 . 1 . . . . . 206 Q N . 51524 1 242 . 1 . 1 70 70 LYS CA C 13 56.655 0.2 . 1 . . . . . 209 K CA . 51524 1 243 . 1 . 1 70 70 LYS CB C 13 33.260 0.2 . 1 . . . . . 209 K CB . 51524 1 244 . 1 . 1 71 71 THR H H 1 8.253 0.01 . 1 . . . . . 210 T H . 51524 1 245 . 1 . 1 71 71 THR CA C 13 61.887 0.2 . 1 . . . . . 210 T CA . 51524 1 246 . 1 . 1 71 71 THR CB C 13 70.003 0.2 . 1 . . . . . 210 T CB . 51524 1 247 . 1 . 1 71 71 THR N N 15 116.095 0.1 . 1 . . . . . 210 T N . 51524 1 248 . 1 . 1 72 72 LEU H H 1 8.319 0.01 . 1 . . . . . 211 L H . 51524 1 249 . 1 . 1 72 72 LEU CA C 13 55.531 0.2 . 1 . . . . . 211 L CA . 51524 1 250 . 1 . 1 72 72 LEU CB C 13 42.309 0.2 . 1 . . . . . 211 L CB . 51524 1 251 . 1 . 1 72 72 LEU N N 15 124.467 0.1 . 1 . . . . . 211 L N . 51524 1 252 . 1 . 1 73 73 ALA H H 1 8.206 0.01 . 1 . . . . . 212 A H . 51524 1 253 . 1 . 1 73 73 ALA CA C 13 52.814 0.2 . 1 . . . . . 212 A CA . 51524 1 254 . 1 . 1 73 73 ALA CB C 13 19.095 0.2 . 1 . . . . . 212 A CB . 51524 1 255 . 1 . 1 73 73 ALA N N 15 124.029 0.1 . 1 . . . . . 212 A N . 51524 1 256 . 1 . 1 74 74 GLU H H 1 8.200 0.01 . 1 . . . . . 213 E H . 51524 1 257 . 1 . 1 74 74 GLU CA C 13 56.749 0.2 . 1 . . . . . 213 E CA . 51524 1 258 . 1 . 1 74 74 GLU CB C 13 30.383 0.2 . 1 . . . . . 213 E CB . 51524 1 259 . 1 . 1 74 74 GLU N N 15 119.670 0.1 . 1 . . . . . 213 E N . 51524 1 260 . 1 . 1 75 75 ILE H H 1 8.069 0.01 . 1 . . . . . 214 I H . 51524 1 261 . 1 . 1 75 75 ILE CA C 13 61.511 0.2 . 1 . . . . . 214 I CA . 51524 1 262 . 1 . 1 75 75 ILE CB C 13 38.863 0.2 . 1 . . . . . 214 I CB . 51524 1 263 . 1 . 1 75 75 ILE N N 15 120.896 0.1 . 1 . . . . . 214 I N . 51524 1 264 . 1 . 1 76 76 ASN H H 1 8.441 0.01 . 1 . . . . . 215 N H . 51524 1 265 . 1 . 1 76 76 ASN CA C 13 53.467 0.2 . 1 . . . . . 215 N CA . 51524 1 266 . 1 . 1 76 76 ASN CB C 13 38.904 0.2 . 1 . . . . . 215 N CB . 51524 1 267 . 1 . 1 76 76 ASN N N 15 122.504 0.1 . 1 . . . . . 215 N N . 51524 1 268 . 1 . 1 77 77 GLN H H 1 7.900 0.01 . 1 . . . . . 216 Q H . 51524 1 269 . 1 . 1 77 77 GLN CA C 13 57.487 0.2 . 1 . . . . . 216 Q CA . 51524 1 270 . 1 . 1 77 77 GLN CB C 13 30.438 0.2 . 1 . . . . . 216 Q CB . 51524 1 271 . 1 . 1 77 77 GLN N N 15 125.571 0.1 . 1 . . . . . 216 Q N . 51524 1 stop_ save_