################################### # 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 27376 _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 '3D HNCO' . . . 27376 1 2 '3D HNCA' . . . 27376 1 3 '3D HNCACB' . . . 27376 1 4 '3D HN(CA)NNH' . . . 27376 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 2 2 MET CA C 13 55.53 0.80 . 1 . . . . . 1 MET CA . 27376 1 2 . 1 1 2 2 MET CB C 13 32.55 0.80 . 1 . . . . . 1 MET CB . 27376 1 3 . 1 1 2 2 MET N N 15 120.1 0.25 . 1 . . . . . 1 MET N . 27376 1 4 . 1 1 3 3 ALA H H 1 8.27 0.02 . 1 . . . . . 2 ALA HN . 27376 1 5 . 1 1 3 3 ALA CA C 13 52.77 0.80 . 1 . . . . . 2 ALA CA . 27376 1 6 . 1 1 3 3 ALA CB C 13 18.68 0.80 . 1 . . . . . 2 ALA CB . 27376 1 7 . 1 1 3 3 ALA N N 15 125.87 0.25 . 1 . . . . . 2 ALA N . 27376 1 8 . 1 1 4 4 SER H H 1 8.18 0.02 . 1 . . . . . 3 SER HN . 27376 1 9 . 1 1 4 4 SER CA C 13 55.452 0.80 . 1 . . . . . 3 SER CA . 27376 1 10 . 1 1 4 4 SER CB C 13 61.041 0.80 . 1 . . . . . 3 SER CB . 27376 1 11 . 1 1 4 4 SER N N 15 115.09 0.25 . 1 . . . . . 3 SER N . 27376 1 12 . 1 1 5 5 HIS H H 1 8.31 0.02 . 1 . . . . . 4 HIS HN . 27376 1 13 . 1 1 5 5 HIS CA C 13 55.51 0.80 . 1 . . . . . 4 HIS CA . 27376 1 14 . 1 1 5 5 HIS CB C 13 29.28 0.80 . 1 . . . . . 4 HIS CB . 27376 1 15 . 1 1 5 5 HIS N N 15 120.59 0.25 . 1 . . . . . 4 HIS N . 27376 1 16 . 1 1 6 6 ALA H H 1 8.206 0.02 . 1 . . . . . 5 ALA HN . 27376 1 17 . 1 1 6 6 ALA CA C 13 52.75 0.80 . 1 . . . . . 5 ALA CA . 27376 1 18 . 1 1 6 6 ALA CB C 13 18.81 0.80 . 1 . . . . . 5 ALA CB . 27376 1 19 . 1 1 6 6 ALA N N 15 125.239 0.25 . 1 . . . . . 5 ALA N . 27376 1 20 . 1 1 7 7 SER H H 1 8.32 0.02 . 1 . . . . . 6 SER HN . 27376 1 21 . 1 1 7 7 SER CA C 13 58.56 0.80 . 1 . . . . . 6 SER CA . 27376 1 22 . 1 1 7 7 SER CB C 13 63.92 0.80 . 1 . . . . . 6 SER CB . 27376 1 23 . 1 1 7 7 SER N N 15 115.53 0.25 . 1 . . . . . 6 SER N . 27376 1 24 . 1 1 8 8 SER H H 1 8.32 0.02 . 1 . . . . . 7 SER HN . 27376 1 25 . 1 1 8 8 SER CA C 13 58.6 0.80 . 1 . . . . . 7 SER CA . 27376 1 26 . 1 1 8 8 SER CB C 13 63.92 0.80 . 1 . . . . . 7 SER CB . 27376 1 27 . 1 1 8 8 SER N N 15 117.96 0.25 . 1 . . . . . 7 SER N . 27376 1 28 . 1 1 9 9 SER H H 1 8.26 0.02 . 1 . . . . . 8 SER HN . 27376 1 29 . 1 1 9 9 SER CA C 13 58.77 0.80 . 1 . . . . . 8 SER CA . 27376 1 30 . 1 1 9 9 SER CB C 13 63.97 0.80 . 1 . . . . . 8 SER CB . 27376 1 31 . 1 1 9 9 SER N N 15 117.65 0.25 . 1 . . . . . 8 SER N . 27376 1 32 . 1 1 10 10 GLY H H 1 8.2 0.02 . 1 . . . . . 9 GLY HN . 27376 1 33 . 1 1 10 10 GLY CA C 13 44.82 0.80 . 1 . . . . . 9 GLY CA . 27376 1 34 . 1 1 10 10 GLY N N 15 110.59 0.25 . 1 . . . . . 9 GLY N . 27376 1 35 . 1 1 11 11 ASP H H 1 8.1 0.02 . 1 . . . . . 10 ASP HN . 27376 1 36 . 1 1 11 11 ASP CA C 13 52.28 0.80 . 1 . . . . . 10 ASP CA . 27376 1 37 . 1 1 11 11 ASP CB C 13 40.96 0.80 . 1 . . . . . 10 ASP CB . 27376 1 38 . 1 1 11 11 ASP N N 15 121.91 0.25 . 1 . . . . . 10 ASP N . 27376 1 39 . 1 1 12 12 PRO CA C 13 63.89 0.80 . 1 . . . . . 11 PRO CA . 27376 1 40 . 1 1 12 12 PRO CB C 13 31.68 0.80 . 1 . . . . . 11 PRO CB . 27376 1 41 . 1 1 13 13 ALA H H 1 8.28 0.02 . 1 . . . . . 12 ALA HN . 27376 1 42 . 1 1 13 13 ALA CA C 13 53.15 0.80 . 1 . . . . . 12 ALA CA . 27376 1 43 . 1 1 13 13 ALA CB C 13 18.47 0.80 . 1 . . . . . 12 ALA CB . 27376 1 44 . 1 1 13 13 ALA N N 15 122.78 0.25 . 1 . . . . . 12 ALA N . 27376 1 45 . 1 1 14 14 GLU H H 1 7.97 0.02 . 1 . . . . . 13 GLU HN . 27376 1 46 . 1 1 14 14 GLU CA C 13 56.93 0.80 . 1 . . . . . 13 GLU CA . 27376 1 47 . 1 1 14 14 GLU CB C 13 29.72 0.80 . 1 . . . . . 13 GLU CB . 27376 1 48 . 1 1 14 14 GLU N N 15 118.54 0.25 . 1 . . . . . 13 GLU N . 27376 1 49 . 1 1 15 15 TYR H H 1 7.866 0.02 . 1 . . . . . 14 TYR HN . 27376 1 50 . 1 1 15 15 TYR CA C 13 58.61 0.80 . 1 . . . . . 14 TYR CA . 27376 1 51 . 1 1 15 15 TYR CB C 13 38.25 0.80 . 1 . . . . . 14 TYR CB . 27376 1 52 . 1 1 15 15 TYR N N 15 120.299 0.25 . 1 . . . . . 14 TYR N . 27376 1 53 . 1 1 16 16 ASN H H 1 8.154 0.02 . 1 . . . . . 15 ASN HN . 27376 1 54 . 1 1 16 16 ASN CA C 13 53.55 0.80 . 1 . . . . . 15 ASN CA . 27376 1 55 . 1 1 16 16 ASN CB C 13 38.41 0.80 . 1 . . . . . 15 ASN CB . 27376 1 56 . 1 1 16 16 ASN N N 15 119.718 0.25 . 1 . . . . . 15 ASN N . 27376 1 57 . 1 1 17 17 LEU H H 1 7.889 0.02 . 1 . . . . . 16 LEU HN . 27376 1 58 . 1 1 17 17 LEU CA C 13 55.92 0.80 . 1 . . . . . 16 LEU CA . 27376 1 59 . 1 1 17 17 LEU CB C 13 41.87 0.80 . 1 . . . . . 16 LEU CB . 27376 1 60 . 1 1 17 17 LEU N N 15 121.72 0.25 . 1 . . . . . 16 LEU N . 27376 1 61 . 1 1 18 18 ARG H H 1 8.05 0.02 . 1 . . . . . 17 ARG HN . 27376 1 62 . 1 1 18 18 ARG CA C 13 56.52 0.80 . 1 . . . . . 17 ARG CA . 27376 1 63 . 1 1 18 18 ARG CB C 13 30.24 0.80 . 1 . . . . . 17 ARG CB . 27376 1 64 . 1 1 18 18 ARG N N 15 120.5 0.25 . 1 . . . . . 17 ARG N . 27376 1 65 . 1 1 19 19 SER H H 1 8.035 0.02 . 1 . . . . . 18 SER HN . 27376 1 66 . 1 1 19 19 SER CA C 13 58.65 0.80 . 1 . . . . . 18 SER CA . 27376 1 67 . 1 1 19 19 SER CB C 13 63.83 0.80 . 1 . . . . . 18 SER CB . 27376 1 68 . 1 1 19 19 SER N N 15 116.05 0.25 . 1 . . . . . 18 SER N . 27376 1 69 . 1 1 20 20 ARG H H 1 8.13 0.02 . 1 . . . . . 19 ARG HN . 27376 1 70 . 1 1 20 20 ARG CA C 13 56.48 0.80 . 1 . . . . . 19 ARG CA . 27376 1 71 . 1 1 20 20 ARG CB C 13 30.32 0.80 . 1 . . . . . 19 ARG CB . 27376 1 72 . 1 1 20 20 ARG N N 15 122.63 0.25 . 1 . . . . . 19 ARG N . 27376 1 73 . 1 1 21 21 THR H H 1 8.045 0.02 . 1 . . . . . 20 THR HN . 27376 1 74 . 1 1 21 21 THR CA C 13 62.4 0.80 . 1 . . . . . 20 THR CA . 27376 1 75 . 1 1 21 21 THR CB C 13 69.93 0.80 . 1 . . . . . 20 THR CB . 27376 1 76 . 1 1 21 21 THR N N 15 116.08 0.25 . 1 . . . . . 20 THR N . 27376 1 77 . 1 1 22 22 VAL H H 1 8.078 0.02 . 1 . . . . . 21 VAL HN . 27376 1 78 . 1 1 22 22 VAL CA C 13 62.41 0.80 . 1 . . . . . 21 VAL CA . 27376 1 79 . 1 1 22 22 VAL CB C 13 32.27 0.80 . 1 . . . . . 21 VAL CB . 27376 1 80 . 1 1 22 22 VAL N N 15 123.64 0.25 . 1 . . . . . 21 VAL N . 27376 1 81 . 1 1 23 23 LEU H H 1 8.203 0.02 . 1 . . . . . 22 LEU HN . 27376 1 82 . 1 1 23 23 LEU CA C 13 55.12 0.80 . 1 . . . . . 22 LEU CA . 27376 1 83 . 1 1 23 23 LEU CB C 13 41.94 0.80 . 1 . . . . . 22 LEU CB . 27376 1 84 . 1 1 23 23 LEU N N 15 126.1 0.25 . 1 . . . . . 22 LEU N . 27376 1 85 . 1 1 24 24 ALA H H 1 8.177 0.02 . 1 . . . . . 23 ALA HN . 27376 1 86 . 1 1 24 24 ALA CA C 13 52.85 0.80 . 1 . . . . . 23 ALA CA . 27376 1 87 . 1 1 24 24 ALA CB C 13 18.7 0.80 . 1 . . . . . 23 ALA CB . 27376 1 88 . 1 1 24 24 ALA N N 15 125.125 0.25 . 1 . . . . . 23 ALA N . 27376 1 89 . 1 1 25 25 GLY H H 1 8.245 0.02 . 1 . . . . . 24 GLY HN . 27376 1 90 . 1 1 25 25 GLY CA C 13 45.2 0.80 . 1 . . . . . 24 GLY CA . 27376 1 91 . 1 1 25 25 GLY N N 15 108.172 0.25 . 1 . . . . . 24 GLY N . 27376 1 92 . 1 1 26 26 THR H H 1 7.911 0.02 . 1 . . . . . 25 THR HN . 27376 1 93 . 1 1 26 26 THR CA C 13 61.98 0.80 . 1 . . . . . 25 THR CA . 27376 1 94 . 1 1 26 26 THR CB C 13 70.14 0.80 . 1 . . . . . 25 THR CB . 27376 1 95 . 1 1 26 26 THR N N 15 113.23 0.25 . 1 . . . . . 25 THR N . 27376 1 96 . 1 1 27 27 ALA H H 1 8.273 0.02 . 1 . . . . . 26 ALA HN . 27376 1 97 . 1 1 27 27 ALA CA C 13 52.84 0.80 . 1 . . . . . 26 ALA CA . 27376 1 98 . 1 1 27 27 ALA CB C 13 18.6 0.80 . 1 . . . . . 26 ALA CB . 27376 1 99 . 1 1 27 27 ALA N N 15 126.31 0.25 . 1 . . . . . 26 ALA N . 27376 1 100 . 1 1 28 28 GLY H H 1 8.25 0.02 . 1 . . . . . 27 GLY HN . 27376 1 101 . 1 1 28 28 GLY CA C 13 45.07 0.80 . 1 . . . . . 27 GLY CA . 27376 1 102 . 1 1 28 28 GLY N N 15 108.14 0.25 . 1 . . . . . 27 GLY N . 27376 1 103 . 1 1 29 29 GLN H H 1 8.036 0.02 . 1 . . . . . 28 GLN HN . 27376 1 104 . 1 1 29 29 GLN CA C 13 53.66 0.80 . 1 . . . . . 28 GLN CA . 27376 1 105 . 1 1 29 29 GLN CB C 13 28.47 0.80 . 1 . . . . . 28 GLN CB . 27376 1 106 . 1 1 29 29 GLN N N 15 120.49 0.25 . 1 . . . . . 28 GLN N . 27376 1 107 . 1 1 30 30 PRO CA C 13 63.34 0.80 . 1 . . . . . 29 PRO CA . 27376 1 108 . 1 1 30 30 PRO CB C 13 31.79 0.80 . 1 . . . . . 29 PRO CB . 27376 1 109 . 1 1 31 31 ALA H H 1 8.369 0.02 . 1 . . . . . 30 ALA HN . 27376 1 110 . 1 1 31 31 ALA CA C 13 52.49 0.80 . 1 . . . . . 30 ALA CA . 27376 1 111 . 1 1 31 31 ALA CB C 13 18.74 0.80 . 1 . . . . . 30 ALA CB . 27376 1 112 . 1 1 31 31 ALA N N 15 124.24 0.25 . 1 . . . . . 30 ALA N . 27376 1 113 . 1 1 32 32 ASP H H 1 8.176 0.02 . 1 . . . . . 31 ASP HN . 27376 1 114 . 1 1 32 32 ASP CA C 13 54.23 0.80 . 1 . . . . . 31 ASP CA . 27376 1 115 . 1 1 32 32 ASP CB C 13 40.92 0.80 . 1 . . . . . 31 ASP CB . 27376 1 116 . 1 1 32 32 ASP N N 15 119.249 0.25 . 1 . . . . . 31 ASP N . 27376 1 117 . 1 1 33 33 LYS H H 1 8.096 0.02 . 1 . . . . . 32 LYS HN . 27376 1 118 . 1 1 33 33 LYS CA C 13 56.66 0.80 . 1 . . . . . 32 LYS CA . 27376 1 119 . 1 1 33 33 LYS CB C 13 32.66 0.80 . 1 . . . . . 32 LYS CB . 27376 1 120 . 1 1 33 33 LYS N N 15 121.89 0.25 . 1 . . . . . 32 LYS N . 27376 1 121 . 1 1 34 34 ALA H H 1 8.192 0.02 . 1 . . . . . 33 ALA HN . 27376 1 122 . 1 1 34 34 ALA CA C 13 52.95 0.80 . 1 . . . . . 33 ALA CA . 27376 1 123 . 1 1 34 34 ALA CB C 13 18.57 0.80 . 1 . . . . . 33 ALA CB . 27376 1 124 . 1 1 34 34 ALA N N 15 124.642 0.25 . 1 . . . . . 33 ALA N . 27376 1 125 . 1 1 35 35 SER H H 1 8.079 0.02 . 1 . . . . . 34 SER HN . 27376 1 126 . 1 1 35 35 SER CA C 13 58.56 0.80 . 1 . . . . . 34 SER CA . 27376 1 127 . 1 1 35 35 SER CB C 13 63.99 0.80 . 1 . . . . . 34 SER CB . 27376 1 128 . 1 1 35 35 SER N N 15 114.888 0.25 . 1 . . . . . 34 SER N . 27376 1 129 . 1 1 36 36 ALA H H 1 8.23 0.02 . 1 . . . . . 35 ALA HN . 27376 1 130 . 1 1 36 36 ALA CA C 13 52.65 0.80 . 1 . . . . . 35 ALA CA . 27376 1 131 . 1 1 36 36 ALA CB C 13 18.72 0.80 . 1 . . . . . 35 ALA CB . 27376 1 132 . 1 1 36 36 ALA N N 15 125.94 0.25 . 1 . . . . . 35 ALA N . 27376 1 133 . 1 1 37 37 SER H H 1 8.18 0.02 . 1 . . . . . 36 SER HN . 27376 1 134 . 1 1 37 37 SER CA C 13 58.67 0.80 . 1 . . . . . 36 SER CA . 27376 1 135 . 1 1 37 37 SER CB C 13 63.96 0.80 . 1 . . . . . 36 SER CB . 27376 1 136 . 1 1 37 37 SER N N 15 114.8 0.25 . 1 . . . . . 36 SER N . 27376 1 137 . 1 1 38 38 GLY H H 1 8.26 0.02 . 1 . . . . . 37 GLY HN . 27376 1 138 . 1 1 38 38 GLY CA C 13 45.27 0.80 . 1 . . . . . 37 GLY CA . 27376 1 139 . 1 1 38 38 GLY N N 15 110.96 0.25 . 1 . . . . . 37 GLY N . 27376 1 140 . 1 1 39 39 SER H H 1 8.186 0.02 . 1 . . . . . 38 SER HN . 27376 1 141 . 1 1 39 39 SER CA C 13 58.8 0.80 . 1 . . . . . 38 SER CA . 27376 1 142 . 1 1 39 39 SER CB C 13 64 0.80 . 1 . . . . . 38 SER CB . 27376 1 143 . 1 1 39 39 SER N N 15 115.71 0.25 . 1 . . . . . 38 SER N . 27376 1 144 . 1 1 40 40 GLY H H 1 8.38 0.02 . 1 . . . . . 39 GLY HN . 27376 1 145 . 1 1 40 40 GLY CA C 13 45.16 0.80 . 1 . . . . . 39 GLY CA . 27376 1 146 . 1 1 40 40 GLY N N 15 111.056 0.25 . 1 . . . . . 39 GLY N . 27376 1 147 . 1 1 41 41 ALA H H 1 7.987 0.02 . 1 . . . . . 40 ALA HN . 27376 1 148 . 1 1 41 41 ALA CA C 13 52.51 0.80 . 1 . . . . . 40 ALA CA . 27376 1 149 . 1 1 41 41 ALA CB C 13 18.76 0.80 . 1 . . . . . 40 ALA CB . 27376 1 150 . 1 1 41 41 ALA N N 15 123.54 0.25 . 1 . . . . . 40 ALA N . 27376 1 151 . 1 1 42 42 GLN H H 1 8.283 0.02 . 1 . . . . . 41 GLN HN . 27376 1 152 . 1 1 42 42 GLN CA C 13 55.74 0.80 . 1 . . . . . 41 GLN CA . 27376 1 153 . 1 1 42 42 GLN CB C 13 29.02 0.80 . 1 . . . . . 41 GLN CB . 27376 1 154 . 1 1 42 42 GLN N N 15 119.913 0.25 . 1 . . . . . 41 GLN N . 27376 1 155 . 1 1 43 43 VAL H H 1 8.141 0.02 . 1 . . . . . 42 VAL HN . 27376 1 156 . 1 1 43 43 VAL CA C 13 62.69 0.80 . 1 . . . . . 42 VAL CA . 27376 1 157 . 1 1 43 43 VAL CB C 13 32.36 0.80 . 1 . . . . . 42 VAL CB . 27376 1 158 . 1 1 43 43 VAL N N 15 122.088 0.25 . 1 . . . . . 42 VAL N . 27376 1 159 . 1 1 44 44 GLY H H 1 8.43 0.02 . 1 . . . . . 43 GLY HN . 27376 1 160 . 1 1 44 44 GLY CA C 13 45 0.80 . 1 . . . . . 43 GLY CA . 27376 1 161 . 1 1 44 44 GLY N N 15 112.959 0.25 . 1 . . . . . 43 GLY N . 27376 1 162 . 1 1 45 45 GLY H H 1 7.994 0.02 . 1 . . . . . 44 GLY HN . 27376 1 163 . 1 1 45 45 GLY CA C 13 44.49 0.80 . 1 . . . . . 44 GLY CA . 27376 1 164 . 1 1 45 45 GLY N N 15 108.869 0.25 . 1 . . . . . 44 GLY N . 27376 1 165 . 1 1 46 46 PRO CA C 13 63.21 0.80 . 1 . . . . . 45 PRO CA . 27376 1 166 . 1 1 46 46 PRO CB C 13 31.84 0.80 . 1 . . . . . 45 PRO CB . 27376 1 167 . 1 1 47 47 ILE H H 1 8.219 0.02 . 1 . . . . . 46 ILE HN . 27376 1 168 . 1 1 47 47 ILE CA C 13 61.38 0.80 . 1 . . . . . 46 ILE CA . 27376 1 169 . 1 1 47 47 ILE CB C 13 38.46 0.80 . 1 . . . . . 46 ILE CB . 27376 1 170 . 1 1 47 47 ILE N N 15 121.246 0.25 . 1 . . . . . 46 ILE N . 27376 1 171 . 1 1 48 48 SER H H 1 8.315 0.02 . 1 . . . . . 47 SER HN . 27376 1 172 . 1 1 48 48 SER CA C 13 58.42 0.80 . 1 . . . . . 47 SER CA . 27376 1 173 . 1 1 48 48 SER CB C 13 63.95 0.80 . 1 . . . . . 47 SER CB . 27376 1 174 . 1 1 48 48 SER N N 15 120.017 0.25 . 1 . . . . . 47 SER N . 27376 1 175 . 1 1 49 49 SER H H 1 8.332 0.02 . 1 . . . . . 48 SER HN . 27376 1 176 . 1 1 49 49 SER CA C 13 58.68 0.80 . 1 . . . . . 48 SER CA . 27376 1 177 . 1 1 49 49 SER CB C 13 63.91 0.80 . 1 . . . . . 48 SER CB . 27376 1 178 . 1 1 49 49 SER N N 15 118.365 0.25 . 1 . . . . . 48 SER N . 27376 1 179 . 1 1 50 50 GLY H H 1 8.327 0.02 . 1 . . . . . 49 GLY HN . 27376 1 180 . 1 1 50 50 GLY CA C 13 45.25 0.80 . 1 . . . . . 49 GLY CA . 27376 1 181 . 1 1 50 50 GLY N N 15 110.83 0.25 . 1 . . . . . 49 GLY N . 27376 1 182 . 1 1 51 51 SER H H 1 8.128 0.02 . 1 . . . . . 50 SER HN . 27376 1 183 . 1 1 51 51 SER CA C 13 58.43 0.80 . 1 . . . . . 50 SER CA . 27376 1 184 . 1 1 51 51 SER CB C 13 63.97 0.80 . 1 . . . . . 50 SER CB . 27376 1 185 . 1 1 51 51 SER N N 15 115.659 0.25 . 1 . . . . . 50 SER N . 27376 1 186 . 1 1 52 52 SER H H 1 8.317 0.02 . 1 . . . . . 51 SER HN . 27376 1 187 . 1 1 52 52 SER CA C 13 58.56 0.80 . 1 . . . . . 51 SER CA . 27376 1 188 . 1 1 52 52 SER CB C 13 63.99 0.80 . 1 . . . . . 51 SER CB . 27376 1 189 . 1 1 52 52 SER N N 15 117.97 0.25 . 1 . . . . . 51 SER N . 27376 1 190 . 1 1 53 53 ALA H H 1 8.228 0.02 . 1 . . . . . 52 ALA HN . 27376 1 191 . 1 1 53 53 ALA CA C 13 52.81 0.80 . 1 . . . . . 52 ALA CA . 27376 1 192 . 1 1 53 53 ALA CB C 13 18.73 0.80 . 1 . . . . . 52 ALA CB . 27376 1 193 . 1 1 53 53 ALA N N 15 125.879 0.25 . 1 . . . . . 52 ALA N . 27376 1 194 . 1 1 54 54 SER H H 1 8.132 0.02 . 1 . . . . . 53 SER HN . 27376 1 195 . 1 1 54 54 SER CA C 13 58.49 0.80 . 1 . . . . . 53 SER CA . 27376 1 196 . 1 1 54 54 SER CB C 13 63.87 0.80 . 1 . . . . . 53 SER CB . 27376 1 197 . 1 1 54 54 SER N N 15 114.634 0.25 . 1 . . . . . 53 SER N . 27376 1 198 . 1 1 55 55 SER H H 1 8.162 0.02 . 1 . . . . . 54 SER HN . 27376 1 199 . 1 1 55 55 SER CA C 13 58.47 0.80 . 1 . . . . . 54 SER CA . 27376 1 200 . 1 1 55 55 SER CB C 13 64.02 0.80 . 1 . . . . . 54 SER CB . 27376 1 201 . 1 1 55 55 SER N N 15 117.96 0.25 . 1 . . . . . 54 SER N . 27376 1 202 . 1 1 56 56 VAL H H 1 7.992 0.02 . 1 . . . . . 55 VAL HN . 27376 1 203 . 1 1 56 56 VAL CA C 13 62.41 0.80 . 1 . . . . . 55 VAL CA . 27376 1 204 . 1 1 56 56 VAL CB C 13 32.41 0.80 . 1 . . . . . 55 VAL CB . 27376 1 205 . 1 1 56 56 VAL N N 15 121.56 0.25 . 1 . . . . . 55 VAL N . 27376 1 206 . 1 1 57 57 THR H H 1 8.169 0.02 . 1 . . . . . 56 THR HN . 27376 1 207 . 1 1 57 57 THR CA C 13 63.34 0.80 . 1 . . . . . 56 THR CA . 27376 1 208 . 1 1 57 57 THR CB C 13 69.97 0.80 . 1 . . . . . 56 THR CB . 27376 1 209 . 1 1 57 57 THR N N 15 119.17 0.25 . 1 . . . . . 56 THR N . 27376 1 210 . 1 1 58 58 VAL H H 1 7.99 0.02 . 1 . . . . . 57 VAL HN . 27376 1 211 . 1 1 58 58 VAL CA C 13 62.36 0.80 . 1 . . . . . 57 VAL CA . 27376 1 212 . 1 1 58 58 VAL CB C 13 32.34 0.80 . 1 . . . . . 57 VAL CB . 27376 1 213 . 1 1 58 58 VAL N N 15 121.55 0.25 . 1 . . . . . 57 VAL N . 27376 1 214 . 1 1 59 59 THR H H 1 8.14 0.02 . 1 . . . . . 58 THR HN . 27376 1 215 . 1 1 59 59 THR CA C 13 62.03 0.80 . 1 . . . . . 58 THR CA . 27376 1 216 . 1 1 59 59 THR CB C 13 69.96 0.80 . 1 . . . . . 58 THR CB . 27376 1 217 . 1 1 59 59 THR N N 15 118.97 0.25 . 1 . . . . . 58 THR N . 27376 1 218 . 1 1 60 60 ARG H H 1 8.27 0.02 . 1 . . . . . 59 ARG HN . 27376 1 219 . 1 1 60 60 ARG CA C 13 56.03 0.80 . 1 . . . . . 59 ARG CA . 27376 1 220 . 1 1 60 60 ARG CB C 13 30.57 0.80 . 1 . . . . . 59 ARG CB . 27376 1 221 . 1 1 60 60 ARG N N 15 124.03 0.25 . 1 . . . . . 59 ARG N . 27376 1 222 . 1 1 61 61 SER H H 1 8.19 0.02 . 1 . . . . . 60 SER HN . 27376 1 223 . 1 1 61 61 SER CA C 13 58.37 0.80 . 1 . . . . . 60 SER CA . 27376 1 224 . 1 1 61 61 SER CB C 13 63.91 0.80 . 1 . . . . . 60 SER CB . 27376 1 225 . 1 1 61 61 SER N N 15 116.9 0.25 . 1 . . . . . 60 SER N . 27376 1 226 . 1 1 62 62 TYR H H 1 8.13 0.02 . 1 . . . . . 61 TYR HN . 27376 1 227 . 1 1 62 62 TYR CA C 13 58.32 0.80 . 1 . . . . . 61 TYR CA . 27376 1 228 . 1 1 62 62 TYR CB C 13 38.58 0.80 . 1 . . . . . 61 TYR CB . 27376 1 229 . 1 1 62 62 TYR N N 15 122.53 0.25 . 1 . . . . . 61 TYR N . 27376 1 230 . 1 1 63 63 ARG H H 1 8.02 0.02 . 1 . . . . . 62 ARG HN . 27376 1 231 . 1 1 63 63 ARG CA C 13 55.84 0.80 . 1 . . . . . 62 ARG CA . 27376 1 232 . 1 1 63 63 ARG CB C 13 30.69 0.80 . 1 . . . . . 62 ARG CB . 27376 1 233 . 1 1 63 63 ARG N N 15 122.68 0.25 . 1 . . . . . 62 ARG N . 27376 1 234 . 1 1 64 64 SER H H 1 8.19 0.02 . 1 . . . . . 63 SER HN . 27376 1 235 . 1 1 64 64 SER CA C 13 58.37 0.80 . 1 . . . . . 63 SER CA . 27376 1 236 . 1 1 64 64 SER CB C 13 63.87 0.80 . 1 . . . . . 63 SER CB . 27376 1 237 . 1 1 64 64 SER N N 15 117.49 0.25 . 1 . . . . . 63 SER N . 27376 1 238 . 1 1 65 65 VAL H H 1 8.11 0.02 . 1 . . . . . 64 VAL HN . 27376 1 239 . 1 1 65 65 VAL CA C 13 62.51 0.80 . 1 . . . . . 64 VAL CA . 27376 1 240 . 1 1 65 65 VAL CB C 13 32.39 0.80 . 1 . . . . . 64 VAL CB . 27376 1 241 . 1 1 65 65 VAL N N 15 121.81 0.25 . 1 . . . . . 64 VAL N . 27376 1 242 . 1 1 66 66 GLY H H 1 8.37 0.02 . 1 . . . . . 65 GLY HN . 27376 1 243 . 1 1 66 66 GLY CA C 13 45.1 0.80 . 1 . . . . . 65 GLY CA . 27376 1 244 . 1 1 66 66 GLY N N 15 112.34 0.25 . 1 . . . . . 65 GLY N . 27376 1 245 . 1 1 67 67 GLY H H 1 8.115 0.02 . 1 . . . . . 66 GLY HN . 27376 1 246 . 1 1 67 67 GLY CA C 13 45.09 0.80 . 1 . . . . . 66 GLY CA . 27376 1 247 . 1 1 67 67 GLY N N 15 108.83 0.25 . 1 . . . . . 66 GLY N . 27376 1 248 . 1 1 68 68 SER H H 1 8.27 0.02 . 1 . . . . . 67 SER HN . 27376 1 249 . 1 1 68 68 SER CA C 13 58.72 0.80 . 1 . . . . . 67 SER CA . 27376 1 250 . 1 1 68 68 SER CB C 13 64 0.80 . 1 . . . . . 67 SER CB . 27376 1 251 . 1 1 68 68 SER N N 15 115.74 0.25 . 1 . . . . . 67 SER N . 27376 1 252 . 1 1 69 69 GLY H H 1 8.42 0.02 . 1 . . . . . 68 GLY HN . 27376 1 253 . 1 1 69 69 GLY CA C 13 45.23 0.80 . 1 . . . . . 68 GLY CA . 27376 1 254 . 1 1 69 69 GLY N N 15 111.002 0.25 . 1 . . . . . 68 GLY N . 27376 1 255 . 1 1 70 70 GLY H H 1 8.182 0.02 . 1 . . . . . 69 GLY HN . 27376 1 256 . 1 1 70 70 GLY CA C 13 45.15 0.80 . 1 . . . . . 69 GLY CA . 27376 1 257 . 1 1 70 70 GLY N N 15 108.78 0.25 . 1 . . . . . 69 GLY N . 27376 1 258 . 1 1 71 71 GLY H H 1 8.184 0.02 . 1 . . . . . 70 GLY HN . 27376 1 259 . 1 1 71 71 GLY CA C 13 45.03 0.80 . 1 . . . . . 70 GLY CA . 27376 1 260 . 1 1 71 71 GLY N N 15 108.79 0.25 . 1 . . . . . 70 GLY N . 27376 1 261 . 1 1 72 72 SER H H 1 8.1 0.02 . 1 . . . . . 71 SER HN . 27376 1 262 . 1 1 72 72 SER CA C 13 58.47 0.80 . 1 . . . . . 71 SER CA . 27376 1 263 . 1 1 72 72 SER CB C 13 63.98 0.80 . 1 . . . . . 71 SER CB . 27376 1 264 . 1 1 72 72 SER N N 15 115.704 0.25 . 1 . . . . . 71 SER N . 27376 1 265 . 1 1 73 73 PHE H H 1 8.243 0.02 . 1 . . . . . 72 PHE HN . 27376 1 266 . 1 1 73 73 PHE CA C 13 58.47 0.80 . 1 . . . . . 72 PHE CA . 27376 1 267 . 1 1 73 73 PHE CB C 13 39.21 0.80 . 1 . . . . . 72 PHE CB . 27376 1 268 . 1 1 73 73 PHE N N 15 122.061 0.25 . 1 . . . . . 72 PHE N . 27376 1 269 . 1 1 74 74 GLY H H 1 8.189 0.02 . 1 . . . . . 73 GLY HN . 27376 1 270 . 1 1 74 74 GLY CA C 13 45 0.80 . 1 . . . . . 73 GLY CA . 27376 1 271 . 1 1 74 74 GLY N N 15 110.365 0.25 . 1 . . . . . 73 GLY N . 27376 1 272 . 1 1 75 75 ASP H H 1 8.04 0.02 . 1 . . . . . 74 ASP HN . 27376 1 273 . 1 1 75 75 ASP CA C 13 53.96 0.80 . 1 . . . . . 74 ASP CA . 27376 1 274 . 1 1 75 75 ASP CB C 13 40.85 0.80 . 1 . . . . . 74 ASP CB . 27376 1 275 . 1 1 75 75 ASP N N 15 120.44 0.25 . 1 . . . . . 74 ASP N . 27376 1 276 . 1 1 76 76 ASN H H 1 8.24 0.02 . 1 . . . . . 75 ASN HN . 27376 1 277 . 1 1 76 76 ASN CA C 13 53.42 0.80 . 1 . . . . . 75 ASN CA . 27376 1 278 . 1 1 76 76 ASN CB C 13 38.41 0.80 . 1 . . . . . 75 ASN CB . 27376 1 279 . 1 1 76 76 ASN N N 15 118.3 0.25 . 1 . . . . . 75 ASN N . 27376 1 280 . 1 1 77 77 LEU H H 1 8.04 0.02 . 1 . . . . . 76 LEU HN . 27376 1 281 . 1 1 77 77 LEU CA C 13 55.58 0.80 . 1 . . . . . 76 LEU CA . 27376 1 282 . 1 1 77 77 LEU CB C 13 41.96 0.80 . 1 . . . . . 76 LEU CB . 27376 1 283 . 1 1 77 77 LEU N N 15 121.76 0.25 . 1 . . . . . 76 LEU N . 27376 1 284 . 1 1 78 78 VAL H H 1 7.97 0.02 . 1 . . . . . 77 VAL HN . 27376 1 285 . 1 1 78 78 VAL CA C 13 62.62 0.80 . 1 . . . . . 77 VAL CA . 27376 1 286 . 1 1 78 78 VAL CB C 13 32.34 0.80 . 1 . . . . . 77 VAL CB . 27376 1 287 . 1 1 78 78 VAL N N 15 121.13 0.25 . 1 . . . . . 77 VAL N . 27376 1 288 . 1 1 79 79 THR H H 1 8.14 0.02 . 1 . . . . . 78 THR HN . 27376 1 289 . 1 1 79 79 THR CA C 13 62.47 0.80 . 1 . . . . . 78 THR CA . 27376 1 290 . 1 1 79 79 THR CB C 13 70.01 0.80 . 1 . . . . . 78 THR CB . 27376 1 291 . 1 1 79 79 THR N N 15 118.96 0.25 . 1 . . . . . 78 THR N . 27376 1 292 . 1 1 80 80 ARG H H 1 8.13 0.02 . 1 . . . . . 79 ARG HN . 27376 1 293 . 1 1 80 80 ARG CB C 13 32.45 0.80 . 1 . . . . . 79 ARG CB . 27376 1 294 . 1 1 80 80 ARG N N 15 123.54 0.25 . 1 . . . . . 79 ARG N . 27376 1 295 . 1 1 84 84 LEU CA C 13 55.18 0.80 . 1 . . . . . 83 LEU CA . 27376 1 296 . 1 1 84 84 LEU CB C 13 41.96 0.80 . 1 . . . . . 83 LEU CB . 27376 1 297 . 1 1 85 85 GLY H H 1 8.11 0.02 . 1 . . . . . 84 GLY HN . 27376 1 298 . 1 1 85 85 GLY CA C 13 45.29 0.80 . 1 . . . . . 84 GLY CA . 27376 1 299 . 1 1 85 85 GLY N N 15 109 0.25 . 1 . . . . . 84 GLY N . 27376 1 300 . 1 1 86 86 ASN H H 1 8.15 0.02 . 1 . . . . . 85 ASN HN . 27376 1 301 . 1 1 86 86 ASN CA C 13 52.66 0.80 . 1 . . . . . 85 ASN CA . 27376 1 302 . 1 1 86 86 ASN CB C 13 38.44 0.80 . 1 . . . . . 85 ASN CB . 27376 1 303 . 1 1 86 86 ASN N N 15 118.84 0.25 . 1 . . . . . 85 ASN N . 27376 1 304 . 1 1 87 87 SER H H 1 8.16 0.02 . 1 . . . . . 86 SER HN . 27376 1 305 . 1 1 87 87 SER N N 15 116.14 0.25 . 1 . . . . . 86 SER N . 27376 1 306 . 1 1 90 90 ARG H H 1 8.13 0.02 . 1 . . . . . 89 ARG HN . 27376 1 307 . 1 1 90 90 ARG CA C 13 56.21 0.80 . 1 . . . . . 89 ARG CA . 27376 1 308 . 1 1 90 90 ARG CB C 13 30.5 0.80 . 1 . . . . . 89 ARG CB . 27376 1 309 . 1 1 90 90 ARG N N 15 122.83 0.25 . 1 . . . . . 89 ARG N . 27376 1 310 . 1 1 91 91 THR H H 1 8.1 0.02 . 1 . . . . . 90 THR HN . 27376 1 311 . 1 1 91 91 THR CA C 13 62.39 0.80 . 1 . . . . . 90 THR CA . 27376 1 312 . 1 1 91 91 THR CB C 13 69.99 0.80 . 1 . . . . . 90 THR CB . 27376 1 313 . 1 1 91 91 THR N N 15 116.43 0.25 . 1 . . . . . 90 THR N . 27376 1 314 . 1 1 92 92 GLN CA C 13 55.33 0.80 . 1 . . . . . 91 GLN CA . 27376 1 315 . 1 1 92 92 GLN CB C 13 29.45 0.80 . 1 . . . . . 91 GLN CB . 27376 1 316 . 1 1 92 92 GLN N N 15 122.57 0.25 . 1 . . . . . 91 GLN N . 27376 1 317 . 1 1 93 93 SER H H 1 8.34 0.02 . 1 . . . . . 92 SER HN . 27376 1 318 . 1 1 93 93 SER CA C 13 56.88 0.80 . 1 . . . . . 92 SER CA . 27376 1 319 . 1 1 93 93 SER CB C 13 63.04 0.80 . 1 . . . . . 92 SER CB . 27376 1 320 . 1 1 93 93 SER N N 15 119.11 0.25 . 1 . . . . . 92 SER N . 27376 1 321 . 1 1 94 94 PRO CA C 13 63.24 0.80 . 1 . . . . . 93 PRO CA . 27376 1 322 . 1 1 94 94 PRO CB C 13 32.1 0.80 . 1 . . . . . 93 PRO CB . 27376 1 323 . 1 1 95 95 GLN H H 1 8.38 0.02 . 1 . . . . . 94 GLN HN . 27376 1 324 . 1 1 95 95 GLN CA C 13 55.91 0.80 . 1 . . . . . 94 GLN CA . 27376 1 325 . 1 1 95 95 GLN CB C 13 28.96 0.80 . 1 . . . . . 94 GLN CB . 27376 1 326 . 1 1 95 95 GLN N N 15 120.11 0.25 . 1 . . . . . 94 GLN N . 27376 1 327 . 1 1 96 96 ASN H H 1 8.23 0.02 . 1 . . . . . 95 ASN HN . 27376 1 328 . 1 1 96 96 ASN CA C 13 52.88 0.80 . 1 . . . . . 95 ASN CA . 27376 1 329 . 1 1 96 96 ASN CB C 13 38.67 0.80 . 1 . . . . . 95 ASN CB . 27376 1 330 . 1 1 96 96 ASN N N 15 119.5 0.25 . 1 . . . . . 95 ASN N . 27376 1 331 . 1 1 97 97 ALA H H 1 8.14 0.02 . 1 . . . . . 96 ALA HN . 27376 1 332 . 1 1 97 97 ALA CA C 13 52.77 0.80 . 1 . . . . . 96 ALA CA . 27376 1 333 . 1 1 97 97 ALA CB C 13 18.68 0.80 . 1 . . . . . 96 ALA CB . 27376 1 334 . 1 1 97 97 ALA N N 15 124.36 0.25 . 1 . . . . . 96 ALA N . 27376 1 335 . 1 1 98 98 SER H H 1 8.18 0.02 . 1 . . . . . 97 SER HN . 27376 1 336 . 1 1 98 98 SER CA C 13 58.51 0.80 . 1 . . . . . 97 SER CA . 27376 1 337 . 1 1 98 98 SER CB C 13 63.67 0.80 . 1 . . . . . 97 SER CB . 27376 1 338 . 1 1 98 98 SER N N 15 115.08 0.25 . 1 . . . . . 97 SER N . 27376 1 339 . 1 1 99 99 ILE H H 1 7.94 0.02 . 1 . . . . . 98 ILE HN . 27376 1 340 . 1 1 99 99 ILE CA C 13 61.16 0.80 . 1 . . . . . 98 ILE CA . 27376 1 341 . 1 1 99 99 ILE CB C 13 38.37 0.80 . 1 . . . . . 98 ILE CB . 27376 1 342 . 1 1 99 99 ILE N N 15 122.19 0.25 . 1 . . . . . 98 ILE N . 27376 1 343 . 1 1 100 100 MET H H 1 7.83 0.02 . 1 . . . . . 99 MET HN . 27376 1 344 . 1 1 100 100 MET CA C 13 57.08 0.80 . 1 . . . . . 99 MET CA . 27376 1 345 . 1 1 100 100 MET CB C 13 33.46 0.80 . 1 . . . . . 99 MET CB . 27376 1 346 . 1 1 100 100 MET N N 15 129.15 0.25 . 1 . . . . . 99 MET N . 27376 1 stop_ save_