################################### # 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 51512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HP1a-CSD _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' . . . 51512 1 2 '3D HNCACB' . . . 51512 1 3 '3D CBCA(CO)NH' . . . 51512 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 . . 51512 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 2 2 ASP CA C 13 52.124 0.062 . . . . . . . 112 D CA . 51512 1 2 . 1 . 1 2 2 ASP CB C 13 38.551 0.054 . . . . . . . 112 D CB . 51512 1 3 . 1 . 1 3 3 ILE H H 1 7.984 0.002 . . . . . . . 113 I H . 51512 1 4 . 1 . 1 3 3 ILE CA C 13 58.533 0.039 . . . . . . . 113 I CA . 51512 1 5 . 1 . 1 3 3 ILE CB C 13 36.517 0.082 . . . . . . . 113 I CB . 51512 1 6 . 1 . 1 3 3 ILE N N 15 119.010 0.017 . . . . . . . 113 I N . 51512 1 7 . 1 . 1 4 4 ALA H H 1 8.148 0.001 . . . . . . . 114 A H . 51512 1 8 . 1 . 1 4 4 ALA CA C 13 49.374 0.046 . . . . . . . 114 A CA . 51512 1 9 . 1 . 1 4 4 ALA CB C 13 16.040 0.002 . . . . . . . 114 A CB . 51512 1 10 . 1 . 1 4 4 ALA N N 15 127.234 0.013 . . . . . . . 114 A N . 51512 1 11 . 1 . 1 5 5 ARG H H 1 8.324 0.001 . . . . . . . 115 R H . 51512 1 12 . 1 . 1 5 5 ARG CA C 13 52.551 0.054 . . . . . . . 115 R CA . 51512 1 13 . 1 . 1 5 5 ARG CB C 13 29.428 0.023 . . . . . . . 115 R CB . 51512 1 14 . 1 . 1 5 5 ARG N N 15 120.329 0.009 . . . . . . . 115 R N . 51512 1 15 . 1 . 1 6 6 GLY H H 1 8.696 0.001 . . . . . . . 116 G H . 51512 1 16 . 1 . 1 6 6 GLY CA C 13 44.906 0.123 . . . . . . . 116 G CA . 51512 1 17 . 1 . 1 6 6 GLY N N 15 108.360 0.020 . . . . . . . 116 G N . 51512 1 18 . 1 . 1 7 7 PHE H H 1 9.429 0.002 . . . . . . . 117 F H . 51512 1 19 . 1 . 1 7 7 PHE CA C 13 59.225 0.037 . . . . . . . 117 F CA . 51512 1 20 . 1 . 1 7 7 PHE CB C 13 35.476 0.038 . . . . . . . 117 F CB . 51512 1 21 . 1 . 1 7 7 PHE N N 15 122.888 0.023 . . . . . . . 117 F N . 51512 1 22 . 1 . 1 8 8 GLU H H 1 8.297 0.002 . . . . . . . 118 E H . 51512 1 23 . 1 . 1 8 8 GLU CA C 13 55.577 0.029 . . . . . . . 118 E CA . 51512 1 24 . 1 . 1 8 8 GLU CB C 13 26.365 0.053 . . . . . . . 118 E CB . 51512 1 25 . 1 . 1 8 8 GLU N N 15 119.056 0.000 . . . . . . . 118 E N . 51512 1 26 . 1 . 1 9 9 ARG H H 1 7.276 0.001 . . . . . . . 119 R H . 51512 1 27 . 1 . 1 9 9 ARG CA C 13 55.549 0.061 . . . . . . . 119 R CA . 51512 1 28 . 1 . 1 9 9 ARG CB C 13 27.436 0.029 . . . . . . . 119 R CB . 51512 1 29 . 1 . 1 9 9 ARG N N 15 115.993 0.015 . . . . . . . 119 R N . 51512 1 30 . 1 . 1 10 10 GLY H H 1 7.474 0.001 . . . . . . . 120 G H . 51512 1 31 . 1 . 1 10 10 GLY CA C 13 43.197 0.168 . . . . . . . 120 G CA . 51512 1 32 . 1 . 1 10 10 GLY N N 15 104.586 0.052 . . . . . . . 120 G N . 51512 1 33 . 1 . 1 11 11 LEU H H 1 7.549 0.002 . . . . . . . 121 L H . 51512 1 34 . 1 . 1 11 11 LEU CA C 13 50.184 0.108 . . . . . . . 121 L CA . 51512 1 35 . 1 . 1 11 11 LEU CB C 13 39.500 0.041 . . . . . . . 121 L CB . 51512 1 36 . 1 . 1 11 11 LEU N N 15 119.890 0.010 . . . . . . . 121 L N . 51512 1 37 . 1 . 1 12 12 GLU H H 1 9.026 0.001 . . . . . . . 122 E H . 51512 1 38 . 1 . 1 12 12 GLU CA C 13 51.369 0.000 . . . . . . . 122 E CA . 51512 1 39 . 1 . 1 12 12 GLU CB C 13 27.888 0.000 . . . . . . . 122 E CB . 51512 1 40 . 1 . 1 12 12 GLU N N 15 122.361 0.020 . . . . . . . 122 E N . 51512 1 41 . 1 . 1 13 13 PRO CA C 13 61.474 0.108 . . . . . . . 123 P CA . 51512 1 42 . 1 . 1 13 13 PRO CB C 13 30.509 0.023 . . . . . . . 123 P CB . 51512 1 43 . 1 . 1 14 14 GLU H H 1 8.815 0.001 . . . . . . . 124 E H . 51512 1 44 . 1 . 1 14 14 GLU CA C 13 55.002 0.045 . . . . . . . 124 E CA . 51512 1 45 . 1 . 1 14 14 GLU CB C 13 30.192 0.064 . . . . . . . 124 E CB . 51512 1 46 . 1 . 1 14 14 GLU N N 15 121.451 0.038 . . . . . . . 124 E N . 51512 1 47 . 1 . 1 15 15 LYS H H 1 7.604 0.002 . . . . . . . 125 K H . 51512 1 48 . 1 . 1 15 15 LYS CA C 13 53.138 0.116 . . . . . . . 125 K CA . 51512 1 49 . 1 . 1 15 15 LYS CB C 13 32.694 0.078 . . . . . . . 125 K CB . 51512 1 50 . 1 . 1 15 15 LYS N N 15 114.068 0.028 . . . . . . . 125 K N . 51512 1 51 . 1 . 1 16 16 ILE H H 1 8.124 0.001 . . . . . . . 126 I H . 51512 1 52 . 1 . 1 16 16 ILE CA C 13 58.560 0.072 . . . . . . . 126 I CA . 51512 1 53 . 1 . 1 16 16 ILE CB C 13 35.968 0.078 . . . . . . . 126 I CB . 51512 1 54 . 1 . 1 16 16 ILE N N 15 124.155 0.015 . . . . . . . 126 I N . 51512 1 55 . 1 . 1 17 17 ILE H H 1 8.704 0.001 . . . . . . . 127 I H . 51512 1 56 . 1 . 1 17 17 ILE CA C 13 58.514 0.035 . . . . . . . 127 I CA . 51512 1 57 . 1 . 1 17 17 ILE CB C 13 35.945 0.021 . . . . . . . 127 I CB . 51512 1 58 . 1 . 1 17 17 ILE N N 15 120.251 0.009 . . . . . . . 127 I N . 51512 1 59 . 1 . 1 18 18 GLY H H 1 7.213 0.002 . . . . . . . 128 G H . 51512 1 60 . 1 . 1 18 18 GLY CA C 13 42.714 0.012 . . . . . . . 128 G CA . 51512 1 61 . 1 . 1 18 18 GLY N N 15 108.071 0.023 . . . . . . . 128 G N . 51512 1 62 . 1 . 1 19 19 ALA H H 1 8.580 0.001 . . . . . . . 129 A H . 51512 1 63 . 1 . 1 19 19 ALA CA C 13 48.502 0.021 . . . . . . . 129 A CA . 51512 1 64 . 1 . 1 19 19 ALA CB C 13 20.099 0.049 . . . . . . . 129 A CB . 51512 1 65 . 1 . 1 19 19 ALA N N 15 122.305 0.000 . . . . . . . 129 A N . 51512 1 66 . 1 . 1 20 20 THR H H 1 8.818 0.001 . . . . . . . 130 T H . 51512 1 67 . 1 . 1 20 20 THR CA C 13 58.071 0.055 . . . . . . . 130 T CA . 51512 1 68 . 1 . 1 20 20 THR CB C 13 67.769 0.053 . . . . . . . 130 T CB . 51512 1 69 . 1 . 1 20 20 THR N N 15 114.676 0.010 . . . . . . . 130 T N . 51512 1 70 . 1 . 1 21 21 ASP H H 1 8.260 0.002 . . . . . . . 131 D H . 51512 1 71 . 1 . 1 21 21 ASP CA C 13 50.496 0.152 . . . . . . . 131 D CA . 51512 1 72 . 1 . 1 21 21 ASP CB C 13 39.342 0.011 . . . . . . . 131 D CB . 51512 1 73 . 1 . 1 21 21 ASP N N 15 125.526 0.011 . . . . . . . 131 D N . 51512 1 74 . 1 . 1 22 22 SER H H 1 8.464 0.001 . . . . . . . 132 S H . 51512 1 75 . 1 . 1 22 22 SER CA C 13 56.803 0.120 . . . . . . . 132 S CA . 51512 1 76 . 1 . 1 22 22 SER CB C 13 61.094 0.114 . . . . . . . 132 S CB . 51512 1 77 . 1 . 1 22 22 SER N N 15 117.749 0.015 . . . . . . . 132 S N . 51512 1 78 . 1 . 1 23 23 CYS H H 1 8.940 0.003 . . . . . . . 133 C H . 51512 1 79 . 1 . 1 23 23 CYS CA C 13 56.698 0.088 . . . . . . . 133 C CA . 51512 1 80 . 1 . 1 23 23 CYS CB C 13 24.236 0.049 . . . . . . . 133 C CB . 51512 1 81 . 1 . 1 23 23 CYS N N 15 120.413 0.023 . . . . . . . 133 C N . 51512 1 82 . 1 . 1 24 24 GLY H H 1 8.367 0.002 . . . . . . . 134 G H . 51512 1 83 . 1 . 1 24 24 GLY CA C 13 42.823 0.083 . . . . . . . 134 G CA . 51512 1 84 . 1 . 1 24 24 GLY N N 15 109.199 0.019 . . . . . . . 134 G N . 51512 1 85 . 1 . 1 25 25 ASP H H 1 7.655 0.001 . . . . . . . 135 D H . 51512 1 86 . 1 . 1 25 25 ASP CA C 13 50.979 0.082 . . . . . . . 135 D CA . 51512 1 87 . 1 . 1 25 25 ASP CB C 13 40.475 0.086 . . . . . . . 135 D CB . 51512 1 88 . 1 . 1 25 25 ASP N N 15 120.547 0.013 . . . . . . . 135 D N . 51512 1 89 . 1 . 1 26 26 LEU H H 1 8.318 0.003 . . . . . . . 136 L H . 51512 1 90 . 1 . 1 26 26 LEU CA C 13 53.361 0.104 . . . . . . . 136 L CA . 51512 1 91 . 1 . 1 26 26 LEU CB C 13 38.653 0.170 . . . . . . . 136 L CB . 51512 1 92 . 1 . 1 26 26 LEU N N 15 123.499 0.040 . . . . . . . 136 L N . 51512 1 93 . 1 . 1 27 27 MET H H 1 8.860 0.002 . . . . . . . 137 M H . 51512 1 94 . 1 . 1 27 27 MET CA C 13 51.347 0.042 . . . . . . . 137 M CA . 51512 1 95 . 1 . 1 27 27 MET CB C 13 33.911 0.047 . . . . . . . 137 M CB . 51512 1 96 . 1 . 1 27 27 MET N N 15 125.880 0.016 . . . . . . . 137 M N . 51512 1 97 . 1 . 1 28 28 PHE H H 1 8.971 0.001 . . . . . . . 138 F H . 51512 1 98 . 1 . 1 28 28 PHE CA C 13 51.181 0.122 . . . . . . . 138 F CA . 51512 1 99 . 1 . 1 28 28 PHE CB C 13 39.487 0.040 . . . . . . . 138 F CB . 51512 1 100 . 1 . 1 28 28 PHE N N 15 116.983 0.019 . . . . . . . 138 F N . 51512 1 101 . 1 . 1 29 29 LEU H H 1 8.310 0.002 . . . . . . . 139 L H . 51512 1 102 . 1 . 1 29 29 LEU CA C 13 51.415 0.038 . . . . . . . 139 L CA . 51512 1 103 . 1 . 1 29 29 LEU CB C 13 38.556 0.105 . . . . . . . 139 L CB . 51512 1 104 . 1 . 1 29 29 LEU N N 15 124.118 0.000 . . . . . . . 139 L N . 51512 1 105 . 1 . 1 30 30 MET H H 1 8.907 0.001 . . . . . . . 140 M H . 51512 1 106 . 1 . 1 30 30 MET CA C 13 51.183 0.131 . . . . . . . 140 M CA . 51512 1 107 . 1 . 1 30 30 MET CB C 13 31.110 0.040 . . . . . . . 140 M CB . 51512 1 108 . 1 . 1 30 30 MET N N 15 130.250 0.027 . . . . . . . 140 M N . 51512 1 109 . 1 . 1 31 31 LYS H H 1 8.522 0.002 . . . . . . . 141 K H . 51512 1 110 . 1 . 1 31 31 LYS CA C 13 52.263 0.170 . . . . . . . 141 K CA . 51512 1 111 . 1 . 1 31 31 LYS CB C 13 31.073 0.065 . . . . . . . 141 K CB . 51512 1 112 . 1 . 1 31 31 LYS N N 15 126.457 0.005 . . . . . . . 141 K N . 51512 1 113 . 1 . 1 32 32 TRP H H 1 8.181 0.001 . . . . . . . 142 W H . 51512 1 114 . 1 . 1 32 32 TRP CA C 13 51.892 0.097 . . . . . . . 142 W CA . 51512 1 115 . 1 . 1 32 32 TRP CB C 13 28.523 0.017 . . . . . . . 142 W CB . 51512 1 116 . 1 . 1 32 32 TRP N N 15 129.984 0.007 . . . . . . . 142 W N . 51512 1 117 . 1 . 1 33 33 LYS H H 1 9.130 0.001 . . . . . . . 143 K H . 51512 1 118 . 1 . 1 33 33 LYS CA C 13 55.479 0.098 . . . . . . . 143 K CA . 51512 1 119 . 1 . 1 33 33 LYS CB C 13 30.320 0.029 . . . . . . . 143 K CB . 51512 1 120 . 1 . 1 33 33 LYS N N 15 122.366 0.022 . . . . . . . 143 K N . 51512 1 121 . 1 . 1 34 34 ASP H H 1 9.124 0.001 . . . . . . . 144 D H . 51512 1 122 . 1 . 1 34 34 ASP CA C 13 53.954 0.031 . . . . . . . 144 D CA . 51512 1 123 . 1 . 1 34 34 ASP CB C 13 36.745 0.087 . . . . . . . 144 D CB . 51512 1 124 . 1 . 1 34 34 ASP N N 15 118.120 0.021 . . . . . . . 144 D N . 51512 1 125 . 1 . 1 35 35 THR H H 1 7.563 0.001 . . . . . . . 145 T H . 51512 1 126 . 1 . 1 35 35 THR CA C 13 57.714 0.120 . . . . . . . 145 T CA . 51512 1 127 . 1 . 1 35 35 THR CB C 13 67.683 0.011 . . . . . . . 145 T CB . 51512 1 128 . 1 . 1 35 35 THR N N 15 111.526 0.017 . . . . . . . 145 T N . 51512 1 129 . 1 . 1 36 36 ASP H H 1 8.558 0.001 . . . . . . . 146 D H . 51512 1 130 . 1 . 1 36 36 ASP CA C 13 52.524 0.050 . . . . . . . 146 D CA . 51512 1 131 . 1 . 1 36 36 ASP CB C 13 38.428 0.047 . . . . . . . 146 D CB . 51512 1 132 . 1 . 1 36 36 ASP N N 15 124.519 0.012 . . . . . . . 146 D N . 51512 1 133 . 1 . 1 37 37 GLU H H 1 8.166 0.002 . . . . . . . 147 E H . 51512 1 134 . 1 . 1 37 37 GLU CA C 13 54.385 0.027 . . . . . . . 147 E CA . 51512 1 135 . 1 . 1 37 37 GLU CB C 13 28.537 0.020 . . . . . . . 147 E CB . 51512 1 136 . 1 . 1 37 37 GLU N N 15 120.529 0.023 . . . . . . . 147 E N . 51512 1 137 . 1 . 1 38 38 ALA H H 1 8.060 0.001 . . . . . . . 148 A H . 51512 1 138 . 1 . 1 38 38 ALA CA C 13 48.464 0.099 . . . . . . . 148 A CA . 51512 1 139 . 1 . 1 38 38 ALA CB C 13 18.940 0.017 . . . . . . . 148 A CB . 51512 1 140 . 1 . 1 38 38 ALA N N 15 125.037 0.008 . . . . . . . 148 A N . 51512 1 141 . 1 . 1 39 39 ASP H H 1 8.219 0.001 . . . . . . . 149 D H . 51512 1 142 . 1 . 1 39 39 ASP CA C 13 50.241 0.113 . . . . . . . 149 D CA . 51512 1 143 . 1 . 1 39 39 ASP CB C 13 44.028 0.046 . . . . . . . 149 D CB . 51512 1 144 . 1 . 1 39 39 ASP N N 15 117.638 0.020 . . . . . . . 149 D N . 51512 1 145 . 1 . 1 40 40 LEU H H 1 8.502 0.002 . . . . . . . 150 L H . 51512 1 146 . 1 . 1 40 40 LEU CA C 13 52.551 0.026 . . . . . . . 150 L CA . 51512 1 147 . 1 . 1 40 40 LEU CB C 13 40.580 0.220 . . . . . . . 150 L CB . 51512 1 148 . 1 . 1 40 40 LEU N N 15 121.265 0.000 . . . . . . . 150 L N . 51512 1 149 . 1 . 1 41 41 VAL H H 1 9.203 0.001 . . . . . . . 151 V H . 51512 1 150 . 1 . 1 41 41 VAL CA C 13 55.706 0.017 . . . . . . . 151 V CA . 51512 1 151 . 1 . 1 41 41 VAL CB C 13 32.643 0.088 . . . . . . . 151 V CB . 51512 1 152 . 1 . 1 41 41 VAL N N 15 115.173 0.008 . . . . . . . 151 V N . 51512 1 153 . 1 . 1 42 42 LEU H H 1 9.411 0.001 . . . . . . . 152 L H . 51512 1 154 . 1 . 1 42 42 LEU CA C 13 53.071 0.073 . . . . . . . 152 L CA . 51512 1 155 . 1 . 1 42 42 LEU CB C 13 40.032 0.146 . . . . . . . 152 L CB . 51512 1 156 . 1 . 1 42 42 LEU N N 15 124.164 0.020 . . . . . . . 152 L N . 51512 1 157 . 1 . 1 43 43 ALA H H 1 8.742 0.001 . . . . . . . 153 A H . 51512 1 158 . 1 . 1 43 43 ALA CA C 13 53.309 0.179 . . . . . . . 153 A CA . 51512 1 159 . 1 . 1 43 43 ALA CB C 13 14.951 0.042 . . . . . . . 153 A CB . 51512 1 160 . 1 . 1 43 43 ALA N N 15 129.749 0.012 . . . . . . . 153 A N . 51512 1 161 . 1 . 1 44 44 LYS H H 1 8.451 0.001 . . . . . . . 154 K H . 51512 1 162 . 1 . 1 44 44 LYS CA C 13 56.534 0.036 . . . . . . . 154 K CA . 51512 1 163 . 1 . 1 44 44 LYS CB C 13 29.622 0.122 . . . . . . . 154 K CB . 51512 1 164 . 1 . 1 44 44 LYS N N 15 112.509 0.000 . . . . . . . 154 K N . 51512 1 165 . 1 . 1 45 45 GLU H H 1 6.937 0.002 . . . . . . . 155 E H . 51512 1 166 . 1 . 1 45 45 GLU CA C 13 55.853 0.103 . . . . . . . 155 E CA . 51512 1 167 . 1 . 1 45 45 GLU CB C 13 28.061 0.053 . . . . . . . 155 E CB . 51512 1 168 . 1 . 1 45 45 GLU N N 15 116.504 0.021 . . . . . . . 155 E N . 51512 1 169 . 1 . 1 46 46 ALA H H 1 8.343 0.001 . . . . . . . 156 A H . 51512 1 170 . 1 . 1 46 46 ALA CA C 13 52.819 0.083 . . . . . . . 156 A CA . 51512 1 171 . 1 . 1 46 46 ALA CB C 13 15.103 0.022 . . . . . . . 156 A CB . 51512 1 172 . 1 . 1 46 46 ALA N N 15 123.608 0.011 . . . . . . . 156 A N . 51512 1 173 . 1 . 1 47 47 ASN H H 1 9.325 0.001 . . . . . . . 157 N H . 51512 1 174 . 1 . 1 47 47 ASN CA C 13 53.626 0.066 . . . . . . . 157 N CA . 51512 1 175 . 1 . 1 47 47 ASN CB C 13 35.784 0.070 . . . . . . . 157 N CB . 51512 1 176 . 1 . 1 47 47 ASN N N 15 114.956 0.021 . . . . . . . 157 N N . 51512 1 177 . 1 . 1 48 48 VAL H H 1 6.681 0.001 . . . . . . . 158 V H . 51512 1 178 . 1 . 1 48 48 VAL CA C 13 60.611 0.043 . . . . . . . 158 V CA . 51512 1 179 . 1 . 1 48 48 VAL CB C 13 30.025 0.050 . . . . . . . 158 V CB . 51512 1 180 . 1 . 1 48 48 VAL N N 15 110.052 0.030 . . . . . . . 158 V N . 51512 1 181 . 1 . 1 49 49 LYS H H 1 8.279 0.001 . . . . . . . 159 K H . 51512 1 182 . 1 . 1 49 49 LYS CA C 13 56.181 0.139 . . . . . . . 159 K CA . 51512 1 183 . 1 . 1 49 49 LYS CB C 13 31.303 0.097 . . . . . . . 159 K CB . 51512 1 184 . 1 . 1 49 49 LYS N N 15 120.461 0.023 . . . . . . . 159 K N . 51512 1 185 . 1 . 1 50 50 CYS H H 1 9.150 0.002 . . . . . . . 160 C H . 51512 1 186 . 1 . 1 50 50 CYS CA C 13 51.317 0.000 . . . . . . . 160 C CA . 51512 1 187 . 1 . 1 50 50 CYS CB C 13 25.717 0.000 . . . . . . . 160 C CB . 51512 1 188 . 1 . 1 50 50 CYS N N 15 113.364 0.013 . . . . . . . 160 C N . 51512 1 189 . 1 . 1 51 51 PRO CA C 13 62.788 0.123 . . . . . . . 161 P CA . 51512 1 190 . 1 . 1 51 51 PRO CB C 13 28.647 0.018 . . . . . . . 161 P CB . 51512 1 191 . 1 . 1 52 52 GLN H H 1 8.883 0.002 . . . . . . . 162 Q H . 51512 1 192 . 1 . 1 52 52 GLN CA C 13 55.709 0.147 . . . . . . . 162 Q CA . 51512 1 193 . 1 . 1 52 52 GLN CB C 13 23.946 0.006 . . . . . . . 162 Q CB . 51512 1 194 . 1 . 1 52 52 GLN N N 15 113.245 0.018 . . . . . . . 162 Q N . 51512 1 195 . 1 . 1 53 53 ILE H H 1 7.324 0.001 . . . . . . . 163 I H . 51512 1 196 . 1 . 1 53 53 ILE CA C 13 61.109 0.082 . . . . . . . 163 I CA . 51512 1 197 . 1 . 1 53 53 ILE CB C 13 34.520 0.102 . . . . . . . 163 I CB . 51512 1 198 . 1 . 1 53 53 ILE N N 15 122.418 0.018 . . . . . . . 163 I N . 51512 1 199 . 1 . 1 54 54 VAL H H 1 7.229 0.001 . . . . . . . 164 V H . 51512 1 200 . 1 . 1 54 54 VAL CA C 13 64.459 0.143 . . . . . . . 164 V CA . 51512 1 201 . 1 . 1 54 54 VAL CB C 13 29.476 0.117 . . . . . . . 164 V CB . 51512 1 202 . 1 . 1 54 54 VAL N N 15 122.642 0.009 . . . . . . . 164 V N . 51512 1 203 . 1 . 1 55 55 ILE H H 1 8.666 0.002 . . . . . . . 165 I H . 51512 1 204 . 1 . 1 55 55 ILE CA C 13 64.902 0.112 . . . . . . . 165 I CA . 51512 1 205 . 1 . 1 55 55 ILE CB C 13 35.710 0.120 . . . . . . . 165 I CB . 51512 1 206 . 1 . 1 55 55 ILE N N 15 118.608 0.027 . . . . . . . 165 I N . 51512 1 207 . 1 . 1 56 56 ALA H H 1 7.597 0.002 . . . . . . . 166 A H . 51512 1 208 . 1 . 1 56 56 ALA CA C 13 52.678 0.053 . . . . . . . 166 A CA . 51512 1 209 . 1 . 1 56 56 ALA CB C 13 15.142 0.014 . . . . . . . 166 A CB . 51512 1 210 . 1 . 1 56 56 ALA N N 15 119.363 0.013 . . . . . . . 166 A N . 51512 1 211 . 1 . 1 57 57 PHE H H 1 7.246 0.001 . . . . . . . 167 F H . 51512 1 212 . 1 . 1 57 57 PHE CA C 13 58.026 0.029 . . . . . . . 167 F CA . 51512 1 213 . 1 . 1 57 57 PHE CB C 13 36.098 0.063 . . . . . . . 167 F CB . 51512 1 214 . 1 . 1 57 57 PHE N N 15 118.463 0.019 . . . . . . . 167 F N . 51512 1 215 . 1 . 1 58 58 TYR H H 1 7.703 0.003 . . . . . . . 168 Y H . 51512 1 216 . 1 . 1 58 58 TYR CA C 13 58.154 0.099 . . . . . . . 168 Y CA . 51512 1 217 . 1 . 1 58 58 TYR CB C 13 34.035 0.022 . . . . . . . 168 Y CB . 51512 1 218 . 1 . 1 58 58 TYR N N 15 119.509 0.043 . . . . . . . 168 Y N . 51512 1 219 . 1 . 1 59 59 GLU H H 1 8.964 0.001 . . . . . . . 169 E H . 51512 1 220 . 1 . 1 59 59 GLU CA C 13 57.029 0.027 . . . . . . . 169 E CA . 51512 1 221 . 1 . 1 59 59 GLU CB C 13 27.387 0.078 . . . . . . . 169 E CB . 51512 1 222 . 1 . 1 59 59 GLU N N 15 118.475 0.015 . . . . . . . 169 E N . 51512 1 223 . 1 . 1 60 60 GLU H H 1 7.531 0.001 . . . . . . . 170 E H . 51512 1 224 . 1 . 1 60 60 GLU CA C 13 55.743 0.055 . . . . . . . 170 E CA . 51512 1 225 . 1 . 1 60 60 GLU CB C 13 26.989 0.029 . . . . . . . 170 E CB . 51512 1 226 . 1 . 1 60 60 GLU N N 15 117.997 0.000 . . . . . . . 170 E N . 51512 1 227 . 1 . 1 61 61 ARG H H 1 7.468 0.001 . . . . . . . 171 R H . 51512 1 228 . 1 . 1 61 61 ARG CA C 13 53.673 0.309 . . . . . . . 171 R CA . 51512 1 229 . 1 . 1 61 61 ARG CB C 13 27.438 0.067 . . . . . . . 171 R CB . 51512 1 230 . 1 . 1 61 61 ARG N N 15 116.793 0.014 . . . . . . . 171 R N . 51512 1 231 . 1 . 1 62 62 LEU H H 1 7.810 0.003 . . . . . . . 172 L H . 51512 1 232 . 1 . 1 62 62 LEU CA C 13 53.426 0.106 . . . . . . . 172 L CA . 51512 1 233 . 1 . 1 62 62 LEU CB C 13 38.944 0.036 . . . . . . . 172 L CB . 51512 1 234 . 1 . 1 62 62 LEU N N 15 120.210 0.021 . . . . . . . 172 L N . 51512 1 235 . 1 . 1 63 63 THR H H 1 7.708 0.003 . . . . . . . 173 T H . 51512 1 236 . 1 . 1 63 63 THR CA C 13 59.709 0.090 . . . . . . . 173 T CA . 51512 1 237 . 1 . 1 63 63 THR CB C 13 67.495 0.015 . . . . . . . 173 T CB . 51512 1 238 . 1 . 1 63 63 THR N N 15 112.591 0.064 . . . . . . . 173 T N . 51512 1 239 . 1 . 1 64 64 TRP H H 1 7.998 0.002 . . . . . . . 174 W H . 51512 1 240 . 1 . 1 64 64 TRP CA C 13 54.596 0.134 . . . . . . . 174 W CA . 51512 1 241 . 1 . 1 64 64 TRP CB C 13 26.893 0.040 . . . . . . . 174 W CB . 51512 1 242 . 1 . 1 64 64 TRP N N 15 121.747 0.015 . . . . . . . 174 W N . 51512 1 243 . 1 . 1 65 65 HIS H H 1 7.724 0.001 . . . . . . . 175 H H . 51512 1 244 . 1 . 1 65 65 HIS CA C 13 52.590 0.222 . . . . . . . 175 H CA . 51512 1 245 . 1 . 1 65 65 HIS CB C 13 27.186 0.050 . . . . . . . 175 H CB . 51512 1 246 . 1 . 1 65 65 HIS N N 15 119.890 0.025 . . . . . . . 175 H N . 51512 1 247 . 1 . 1 66 66 ALA H H 1 8.028 0.006 . . . . . . . 176 A H . 51512 1 248 . 1 . 1 66 66 ALA CA C 13 51.315 0.000 . . . . . . . 176 A CA . 51512 1 249 . 1 . 1 66 66 ALA CB C 13 17.201 0.000 . . . . . . . 176 A CB . 51512 1 250 . 1 . 1 66 66 ALA N N 15 130.768 0.020 . . . . . . . 176 A N . 51512 1 stop_ save_