################################### # 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 17454 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 17454 1 2 '3D HNCA' . . . 17454 1 3 '3D HN(CO)CA' . . . 17454 1 4 '3D HNCACB' . . . 17454 1 5 '3D HN(CO)CACB' . . . 17454 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 SER CA C 13 58.13 0.03 . 1 . . . . . -12 SER CA . 17454 1 2 . 1 . 1 2 2 SER CB C 13 63.88 0.01 . 1 . . . . . -12 SER CB . 17454 1 3 . 1 . 1 3 3 GLY H H 1 8.40 0.00 . 1 . . . . . -11 GLY H . 17454 1 4 . 1 . 1 3 3 GLY CA C 13 44.99 0.02 . 1 . . . . . -11 GLY CA . 17454 1 5 . 1 . 1 3 3 GLY N N 15 111.65 0.07 . 1 . . . . . -11 GLY N . 17454 1 6 . 1 . 1 4 4 TRP H H 1 8.21 0.00 . 1 . . . . . -10 TRP H . 17454 1 7 . 1 . 1 4 4 TRP CA C 13 56.94 0.02 . 1 . . . . . -10 TRP CA . 17454 1 8 . 1 . 1 4 4 TRP CB C 13 29.39 0.02 . 1 . . . . . -10 TRP CB . 17454 1 9 . 1 . 1 4 4 TRP N N 15 122.10 0.06 . 1 . . . . . -10 TRP N . 17454 1 10 . 1 . 1 5 5 SER H H 1 8.00 0.00 . 1 . . . . . -9 SER H . 17454 1 11 . 1 . 1 5 5 SER CA C 13 58.03 0.03 . 1 . . . . . -9 SER CA . 17454 1 12 . 1 . 1 5 5 SER CB C 13 63.65 0.01 . 1 . . . . . -9 SER CB . 17454 1 13 . 1 . 1 5 5 SER N N 15 116.79 0.03 . 1 . . . . . -9 SER N . 17454 1 14 . 1 . 1 6 6 HIS H H 1 7.95 0.00 . 1 . . . . . -8 HIS H . 17454 1 15 . 1 . 1 6 6 HIS CA C 13 53.39 0.01 . 1 . . . . . -8 HIS CA . 17454 1 16 . 1 . 1 6 6 HIS CB C 13 28.20 0.57 . 1 . . . . . -8 HIS CB . 17454 1 17 . 1 . 1 6 6 HIS N N 15 119.51 0.05 . 1 . . . . . -8 HIS N . 17454 1 18 . 1 . 1 7 7 PRO CA C 13 62.92 0.01 . 1 . . . . . -7 PRO CA . 17454 1 19 . 1 . 1 7 7 PRO CB C 13 31.12 0.01 . 1 . . . . . -7 PRO CB . 17454 1 20 . 1 . 1 8 8 GLN H H 1 8.48 0.00 . 1 . . . . . -6 GLN H . 17454 1 21 . 1 . 1 8 8 GLN CA C 13 55.40 0.03 . 1 . . . . . -6 GLN CA . 17454 1 22 . 1 . 1 8 8 GLN CB C 13 28.56 0.10 . 1 . . . . . -6 GLN CB . 17454 1 23 . 1 . 1 8 8 GLN N N 15 120.75 0.06 . 1 . . . . . -6 GLN N . 17454 1 24 . 1 . 1 9 9 PHE H H 1 8.04 0.00 . 1 . . . . . -5 PHE H . 17454 1 25 . 1 . 1 9 9 PHE CA C 13 57.08 0.03 . 1 . . . . . -5 PHE CA . 17454 1 26 . 1 . 1 9 9 PHE CB C 13 39.07 0.01 . 1 . . . . . -5 PHE CB . 17454 1 27 . 1 . 1 9 9 PHE N N 15 121.28 0.06 . 1 . . . . . -5 PHE N . 17454 1 28 . 1 . 1 10 10 GLU H H 1 8.29 0.00 . 1 . . . . . -4 GLU H . 17454 1 29 . 1 . 1 10 10 GLU CA C 13 56.02 0.04 . 1 . . . . . -4 GLU CA . 17454 1 30 . 1 . 1 10 10 GLU CB C 13 29.55 0.04 . 1 . . . . . -4 GLU CB . 17454 1 31 . 1 . 1 10 10 GLU N N 15 121.97 0.02 . 1 . . . . . -4 GLU N . 17454 1 32 . 1 . 1 11 11 LYS H H 1 8.40 0.00 . 1 . . . . . -3 LYS H . 17454 1 33 . 1 . 1 11 11 LYS CA C 13 58.22 0.01 . 1 . . . . . -3 LYS CA . 17454 1 34 . 1 . 1 11 11 LYS CB C 13 31.77 0.02 . 1 . . . . . -3 LYS CB . 17454 1 35 . 1 . 1 11 11 LYS N N 15 121.80 0.05 . 1 . . . . . -3 LYS N . 17454 1 36 . 1 . 1 12 12 GLY H H 1 8.56 0.00 . 1 . . . . . -2 GLY H . 17454 1 37 . 1 . 1 12 12 GLY CA C 13 46.47 0.02 . 1 . . . . . -2 GLY CA . 17454 1 38 . 1 . 1 12 12 GLY N N 15 108.38 0.02 . 1 . . . . . -2 GLY N . 17454 1 39 . 1 . 1 13 13 SER H H 1 7.82 0.00 . 1 . . . . . -1 SER H . 17454 1 40 . 1 . 1 13 13 SER CA C 13 60.48 0.03 . 1 . . . . . -1 SER CA . 17454 1 41 . 1 . 1 13 13 SER CB C 13 62.89 0.12 . 1 . . . . . -1 SER CB . 17454 1 42 . 1 . 1 13 13 SER N N 15 116.85 0.06 . 1 . . . . . -1 SER N . 17454 1 43 . 1 . 1 14 14 MET H H 1 8.15 0.00 . 1 . . . . . 1 MET H . 17454 1 44 . 1 . 1 14 14 MET CA C 13 57.83 0.03 . 1 . . . . . 1 MET CA . 17454 1 45 . 1 . 1 14 14 MET CB C 13 31.61 0.03 . 1 . . . . . 1 MET CB . 17454 1 46 . 1 . 1 14 14 MET N N 15 121.66 0.05 . 1 . . . . . 1 MET N . 17454 1 47 . 1 . 1 15 15 LEU H H 1 8.06 0.00 . 1 . . . . . 2 LEU H . 17454 1 48 . 1 . 1 15 15 LEU CA C 13 57.80 0.03 . 1 . . . . . 2 LEU CA . 17454 1 49 . 1 . 1 15 15 LEU CB C 13 40.43 0.01 . 1 . . . . . 2 LEU CB . 17454 1 50 . 1 . 1 15 15 LEU N N 15 119.92 0.06 . 1 . . . . . 2 LEU N . 17454 1 51 . 1 . 1 16 16 LEU H H 1 7.77 0.00 . 1 . . . . . 3 LEU H . 17454 1 52 . 1 . 1 16 16 LEU CA C 13 57.64 0.02 . 1 . . . . . 3 LEU CA . 17454 1 53 . 1 . 1 16 16 LEU CB C 13 40.56 0.02 . 1 . . . . . 3 LEU CB . 17454 1 54 . 1 . 1 16 16 LEU N N 15 118.83 0.03 . 1 . . . . . 3 LEU N . 17454 1 55 . 1 . 1 17 17 LEU H H 1 7.96 0.00 . 1 . . . . . 4 LEU H . 17454 1 56 . 1 . 1 17 17 LEU CA C 13 57.98 0.07 . 1 . . . . . 4 LEU CA . 17454 1 57 . 1 . 1 17 17 LEU CB C 13 40.48 0.01 . 1 . . . . . 4 LEU CB . 17454 1 58 . 1 . 1 17 17 LEU N N 15 122.24 0.05 . 1 . . . . . 4 LEU N . 17454 1 59 . 1 . 1 18 18 LEU H H 1 8.16 0.00 . 1 . . . . . 5 LEU H . 17454 1 60 . 1 . 1 18 18 LEU CA C 13 58.02 0.03 . 1 . . . . . 5 LEU CA . 17454 1 61 . 1 . 1 18 18 LEU CB C 13 40.57 0.00 . 1 . . . . . 5 LEU CB . 17454 1 62 . 1 . 1 18 18 LEU N N 15 119.91 0.06 . 1 . . . . . 5 LEU N . 17454 1 63 . 1 . 1 19 19 LEU H H 1 8.43 0.00 . 1 . . . . . 6 LEU H . 17454 1 64 . 1 . 1 19 19 LEU CA C 13 57.80 0.05 . 1 . . . . . 6 LEU CA . 17454 1 65 . 1 . 1 19 19 LEU CB C 13 40.63 0.01 . 1 . . . . . 6 LEU CB . 17454 1 66 . 1 . 1 19 19 LEU N N 15 118.10 0.04 . 1 . . . . . 6 LEU N . 17454 1 67 . 1 . 1 20 20 SER H H 1 8.11 0.00 . 1 . . . . . 7 SER H . 17454 1 68 . 1 . 1 20 20 SER CA C 13 63.19 0.02 . 1 . . . . . 7 SER CA . 17454 1 69 . 1 . 1 20 20 SER N N 15 116.05 0.04 . 1 . . . . . 7 SER N . 17454 1 70 . 1 . 1 21 21 ILE H H 1 7.88 0.00 . 1 . . . . . 8 ILE H . 17454 1 71 . 1 . 1 21 21 ILE CA C 13 64.56 0.03 . 1 . . . . . 8 ILE CA . 17454 1 72 . 1 . 1 21 21 ILE CB C 13 36.80 0.57 . 1 . . . . . 8 ILE CB . 17454 1 73 . 1 . 1 21 21 ILE N N 15 121.79 0.04 . 1 . . . . . 8 ILE N . 17454 1 74 . 1 . 1 22 22 ILE H H 1 8.13 0.00 . 1 . . . . . 9 ILE H . 17454 1 75 . 1 . 1 22 22 ILE CA C 13 65.56 0.01 . 1 . . . . . 9 ILE CA . 17454 1 76 . 1 . 1 22 22 ILE CB C 13 36.40 0.00 . 1 . . . . . 9 ILE CB . 17454 1 77 . 1 . 1 22 22 ILE N N 15 123.70 0.04 . 1 . . . . . 9 ILE N . 17454 1 78 . 1 . 1 23 23 VAL H H 1 8.48 0.00 . 1 . . . . . 10 VAL H . 17454 1 79 . 1 . 1 23 23 VAL CA C 13 66.91 0.06 . 1 . . . . . 10 VAL CA . 17454 1 80 . 1 . 1 23 23 VAL CB C 13 30.06 0.02 . 1 . . . . . 10 VAL CB . 17454 1 81 . 1 . 1 23 23 VAL N N 15 120.10 0.05 . 1 . . . . . 10 VAL N . 17454 1 82 . 1 . 1 24 24 LEU H H 1 8.12 0.01 . 1 . . . . . 11 LEU H . 17454 1 83 . 1 . 1 24 24 LEU CA C 13 58.02 0.01 . 1 . . . . . 11 LEU CA . 17454 1 84 . 1 . 1 24 24 LEU CB C 13 40.59 0.01 . 1 . . . . . 11 LEU CB . 17454 1 85 . 1 . 1 24 24 LEU N N 15 119.63 0.05 . 1 . . . . . 11 LEU N . 17454 1 86 . 1 . 1 25 25 HIS H H 1 7.69 0.00 . 1 . . . . . 12 HIS H . 17454 1 87 . 1 . 1 25 25 HIS CA C 13 62.14 0.02 . 1 . . . . . 12 HIS CA . 17454 1 88 . 1 . 1 25 25 HIS N N 15 116.20 0.03 . 1 . . . . . 12 HIS N . 17454 1 89 . 1 . 1 26 26 VAL H H 1 8.17 0.00 . 1 . . . . . 13 VAL H . 17454 1 90 . 1 . 1 26 26 VAL CA C 13 66.68 0.02 . 1 . . . . . 13 VAL CA . 17454 1 91 . 1 . 1 26 26 VAL CB C 13 30.21 0.03 . 1 . . . . . 13 VAL CB . 17454 1 92 . 1 . 1 26 26 VAL N N 15 119.29 0.05 . 1 . . . . . 13 VAL N . 17454 1 93 . 1 . 1 27 27 ALA H H 1 8.50 0.00 . 1 . . . . . 14 ALA H . 17454 1 94 . 1 . 1 27 27 ALA CA C 13 55.27 0.06 . 1 . . . . . 14 ALA CA . 17454 1 95 . 1 . 1 27 27 ALA CB C 13 16.68 0.10 . 1 . . . . . 14 ALA CB . 17454 1 96 . 1 . 1 27 27 ALA N N 15 121.30 0.03 . 1 . . . . . 14 ALA N . 17454 1 97 . 1 . 1 28 28 VAL H H 1 7.92 0.00 . 1 . . . . . 15 VAL H . 17454 1 98 . 1 . 1 28 28 VAL CA C 13 66.70 0.03 . 1 . . . . . 15 VAL CA . 17454 1 99 . 1 . 1 28 28 VAL CB C 13 30.29 0.02 . 1 . . . . . 15 VAL CB . 17454 1 100 . 1 . 1 28 28 VAL N N 15 116.75 0.04 . 1 . . . . . 15 VAL N . 17454 1 101 . 1 . 1 29 29 LEU H H 1 7.98 0.00 . 1 . . . . . 16 LEU H . 17454 1 102 . 1 . 1 29 29 LEU CA C 13 58.32 0.13 . 1 . . . . . 16 LEU CA . 17454 1 103 . 1 . 1 29 29 LEU CB C 13 40.53 0.00 . 1 . . . . . 16 LEU CB . 17454 1 104 . 1 . 1 29 29 LEU N N 15 120.40 0.04 . 1 . . . . . 16 LEU N . 17454 1 105 . 1 . 1 30 30 VAL H H 1 8.44 0.01 . 1 . . . . . 17 VAL H . 17454 1 106 . 1 . 1 30 30 VAL CA C 13 66.88 0.02 . 1 . . . . . 17 VAL CA . 17454 1 107 . 1 . 1 30 30 VAL CB C 13 30.16 0.00 . 1 . . . . . 17 VAL CB . 17454 1 108 . 1 . 1 30 30 VAL N N 15 118.86 0.06 . 1 . . . . . 17 VAL N . 17454 1 109 . 1 . 1 31 31 LEU H H 1 8.24 0.00 . 1 . . . . . 18 LEU H . 17454 1 110 . 1 . 1 31 31 LEU CA C 13 57.98 0.03 . 1 . . . . . 18 LEU CA . 17454 1 111 . 1 . 1 31 31 LEU CB C 13 40.45 0.02 . 1 . . . . . 18 LEU CB . 17454 1 112 . 1 . 1 31 31 LEU N N 15 120.52 0.05 . 1 . . . . . 18 LEU N . 17454 1 113 . 1 . 1 32 32 LEU H H 1 8.68 0.00 . 1 . . . . . 19 LEU H . 17454 1 114 . 1 . 1 32 32 LEU CA C 13 57.81 0.03 . 1 . . . . . 19 LEU CA . 17454 1 115 . 1 . 1 32 32 LEU CB C 13 40.71 0.57 . 1 . . . . . 19 LEU CB . 17454 1 116 . 1 . 1 32 32 LEU N N 15 121.64 0.05 . 1 . . . . . 19 LEU N . 17454 1 117 . 1 . 1 33 33 PHE H H 1 8.52 0.00 . 1 . . . . . 20 PHE H . 17454 1 118 . 1 . 1 33 33 PHE CA C 13 61.07 0.08 . 1 . . . . . 20 PHE CA . 17454 1 119 . 1 . 1 33 33 PHE CB C 13 38.86 0.06 . 1 . . . . . 20 PHE CB . 17454 1 120 . 1 . 1 33 33 PHE N N 15 119.61 0.05 . 1 . . . . . 20 PHE N . 17454 1 121 . 1 . 1 34 34 VAL H H 1 8.82 0.01 . 1 . . . . . 21 VAL H . 17454 1 122 . 1 . 1 34 34 VAL CA C 13 65.55 0.03 . 1 . . . . . 21 VAL CA . 17454 1 123 . 1 . 1 34 34 VAL CB C 13 30.64 0.05 . 1 . . . . . 21 VAL CB . 17454 1 124 . 1 . 1 34 34 VAL N N 15 118.35 0.06 . 1 . . . . . 21 VAL N . 17454 1 125 . 1 . 1 35 35 SER H H 1 8.25 0.00 . 1 . . . . . 22 SER H . 17454 1 126 . 1 . 1 35 35 SER CA C 13 62.19 0.02 . 1 . . . . . 22 SER CA . 17454 1 127 . 1 . 1 35 35 SER N N 15 115.94 0.05 . 1 . . . . . 22 SER N . 17454 1 128 . 1 . 1 36 36 THR H H 1 7.81 0.01 . 1 . . . . . 23 THR H . 17454 1 129 . 1 . 1 36 36 THR CA C 13 65.63 0.03 . 1 . . . . . 23 THR CA . 17454 1 130 . 1 . 1 36 36 THR CB C 13 68.17 0.08 . 1 . . . . . 23 THR CB . 17454 1 131 . 1 . 1 36 36 THR N N 15 117.88 0.04 . 1 . . . . . 23 THR N . 17454 1 132 . 1 . 1 37 37 ILE H H 1 7.62 0.01 . 1 . . . . . 24 ILE H . 17454 1 133 . 1 . 1 37 37 ILE CA C 13 63.46 0.03 . 1 . . . . . 24 ILE CA . 17454 1 134 . 1 . 1 37 37 ILE CB C 13 36.61 0.00 . 1 . . . . . 24 ILE CB . 17454 1 135 . 1 . 1 37 37 ILE N N 15 122.13 0.06 . 1 . . . . . 24 ILE N . 17454 1 136 . 1 . 1 38 38 VAL H H 1 8.02 0.01 . 1 . . . . . 25 VAL H . 17454 1 137 . 1 . 1 38 38 VAL CA C 13 65.35 0.04 . 1 . . . . . 25 VAL CA . 17454 1 138 . 1 . 1 38 38 VAL CB C 13 30.53 0.03 . 1 . . . . . 25 VAL CB . 17454 1 139 . 1 . 1 38 38 VAL N N 15 118.43 0.06 . 1 . . . . . 25 VAL N . 17454 1 140 . 1 . 1 39 39 SER H H 1 7.94 0.00 . 1 . . . . . 26 SER H . 17454 1 141 . 1 . 1 39 39 SER CA C 13 61.76 0.05 . 1 . . . . . 26 SER CA . 17454 1 142 . 1 . 1 39 39 SER CB C 13 62.82 0.02 . 1 . . . . . 26 SER CB . 17454 1 143 . 1 . 1 39 39 SER N N 15 115.13 0.05 . 1 . . . . . 26 SER N . 17454 1 144 . 1 . 1 40 40 GLN H H 1 7.65 0.00 . 1 . . . . . 27 GLN H . 17454 1 145 . 1 . 1 40 40 GLN CA C 13 57.46 0.01 . 1 . . . . . 27 GLN CA . 17454 1 146 . 1 . 1 40 40 GLN CB C 13 27.70 0.06 . 1 . . . . . 27 GLN CB . 17454 1 147 . 1 . 1 40 40 GLN N N 15 119.36 0.03 . 1 . . . . . 27 GLN N . 17454 1 148 . 1 . 1 41 41 TRP H H 1 7.93 0.00 . 1 . . . . . 28 TRP H . 17454 1 149 . 1 . 1 41 41 TRP CA C 13 58.83 0.02 . 1 . . . . . 28 TRP CA . 17454 1 150 . 1 . 1 41 41 TRP CB C 13 29.21 0.16 . 1 . . . . . 28 TRP CB . 17454 1 151 . 1 . 1 41 41 TRP N N 15 120.41 0.03 . 1 . . . . . 28 TRP N . 17454 1 152 . 1 . 1 42 42 ILE H H 1 7.84 0.00 . 1 . . . . . 29 ILE H . 17454 1 153 . 1 . 1 42 42 ILE CA C 13 62.92 0.02 . 1 . . . . . 29 ILE CA . 17454 1 154 . 1 . 1 42 42 ILE CB C 13 37.48 0.03 . 1 . . . . . 29 ILE CB . 17454 1 155 . 1 . 1 42 42 ILE N N 15 117.32 0.05 . 1 . . . . . 29 ILE N . 17454 1 156 . 1 . 1 43 43 VAL H H 1 7.78 0.00 . 1 . . . . . 30 VAL H . 17454 1 157 . 1 . 1 43 43 VAL CA C 13 62.87 0.02 . 1 . . . . . 30 VAL CA . 17454 1 158 . 1 . 1 43 43 VAL CB C 13 31.32 0.02 . 1 . . . . . 30 VAL CB . 17454 1 159 . 1 . 1 43 43 VAL N N 15 117.18 0.03 . 1 . . . . . 30 VAL N . 17454 1 160 . 1 . 1 44 44 GLY H H 1 7.86 0.00 . 1 . . . . . 31 GLY H . 17454 1 161 . 1 . 1 44 44 GLY CA C 13 45.35 0.02 . 1 . . . . . 31 GLY CA . 17454 1 162 . 1 . 1 44 44 GLY N N 15 110.00 0.04 . 1 . . . . . 31 GLY N . 17454 1 163 . 1 . 1 45 45 ASN H H 1 7.99 0.00 . 1 . . . . . 32 ASN H . 17454 1 164 . 1 . 1 45 45 ASN CA C 13 52.95 0.05 . 1 . . . . . 32 ASN CA . 17454 1 165 . 1 . 1 45 45 ASN CB C 13 38.61 0.04 . 1 . . . . . 32 ASN CB . 17454 1 166 . 1 . 1 45 45 ASN N N 15 119.28 0.03 . 1 . . . . . 32 ASN N . 17454 1 167 . 1 . 1 46 46 GLY H H 1 8.17 0.00 . 1 . . . . . 33 GLY H . 17454 1 168 . 1 . 1 46 46 GLY CA C 13 45.31 0.02 . 1 . . . . . 33 GLY CA . 17454 1 169 . 1 . 1 46 46 GLY N N 15 109.34 0.05 . 1 . . . . . 33 GLY N . 17454 1 170 . 1 . 1 47 47 HIS H H 1 8.13 0.00 . 1 . . . . . 34 HIS H . 17454 1 171 . 1 . 1 47 47 HIS CA C 13 55.00 0.06 . 1 . . . . . 34 HIS CA . 17454 1 172 . 1 . 1 47 47 HIS CB C 13 28.67 0.01 . 1 . . . . . 34 HIS CB . 17454 1 173 . 1 . 1 47 47 HIS N N 15 117.98 0.02 . 1 . . . . . 34 HIS N . 17454 1 174 . 1 . 1 48 48 ALA H H 1 8.58 0.00 . 1 . . . . . 35 ALA H . 17454 1 175 . 1 . 1 48 48 ALA CA C 13 53.75 0.04 . 1 . . . . . 35 ALA CA . 17454 1 176 . 1 . 1 48 48 ALA CB C 13 18.08 0.01 . 1 . . . . . 35 ALA CB . 17454 1 177 . 1 . 1 48 48 ALA N N 15 125.34 0.06 . 1 . . . . . 35 ALA N . 17454 1 178 . 1 . 1 49 49 THR H H 1 7.85 0.00 . 1 . . . . . 36 THR H . 17454 1 179 . 1 . 1 49 49 THR CA C 13 62.95 0.03 . 1 . . . . . 36 THR CA . 17454 1 180 . 1 . 1 49 49 THR CB C 13 68.61 0.00 . 1 . . . . . 36 THR CB . 17454 1 181 . 1 . 1 49 49 THR N N 15 110.31 0.05 . 1 . . . . . 36 THR N . 17454 1 182 . 1 . 1 50 50 ASP H H 1 7.92 0.00 . 1 . . . . . 37 ASP H . 17454 1 183 . 1 . 1 50 50 ASP CA C 13 55.06 0.05 . 1 . . . . . 37 ASP CA . 17454 1 184 . 1 . 1 50 50 ASP CB C 13 40.04 0.02 . 1 . . . . . 37 ASP CB . 17454 1 185 . 1 . 1 50 50 ASP N N 15 122.43 0.02 . 1 . . . . . 37 ASP N . 17454 1 186 . 1 . 1 51 51 LEU H H 1 7.77 0.00 . 1 . . . . . 38 LEU H . 17454 1 187 . 1 . 1 51 51 LEU CA C 13 56.63 0.02 . 1 . . . . . 38 LEU CA . 17454 1 188 . 1 . 1 51 51 LEU CB C 13 41.17 0.00 . 1 . . . . . 38 LEU CB . 17454 1 189 . 1 . 1 51 51 LEU N N 15 121.04 0.03 . 1 . . . . . 38 LEU N . 17454 1 190 . 1 . 1 52 52 TRP H H 1 7.69 0.00 . 1 . . . . . 39 TRP H . 17454 1 191 . 1 . 1 52 52 TRP CA C 13 57.67 0.08 . 1 . . . . . 39 TRP CA . 17454 1 192 . 1 . 1 52 52 TRP CB C 13 29.30 0.02 . 1 . . . . . 39 TRP CB . 17454 1 193 . 1 . 1 52 52 TRP N N 15 118.07 0.03 . 1 . . . . . 39 TRP N . 17454 1 194 . 1 . 1 53 53 GLN H H 1 7.87 0.00 . 1 . . . . . 40 GLN H . 17454 1 195 . 1 . 1 53 53 GLN CA C 13 56.48 0.03 . 1 . . . . . 40 GLN CA . 17454 1 196 . 1 . 1 53 53 GLN CB C 13 28.39 0.06 . 1 . . . . . 40 GLN CB . 17454 1 197 . 1 . 1 53 53 GLN N N 15 119.45 0.05 . 1 . . . . . 40 GLN N . 17454 1 198 . 1 . 1 54 54 ASN H H 1 8.11 0.00 . 1 . . . . . 41 ASN H . 17454 1 199 . 1 . 1 54 54 ASN CA C 13 53.49 0.04 . 1 . . . . . 41 ASN CA . 17454 1 200 . 1 . 1 54 54 ASN CB C 13 38.65 0.03 . 1 . . . . . 41 ASN CB . 17454 1 201 . 1 . 1 54 54 ASN N N 15 118.75 0.03 . 1 . . . . . 41 ASN N . 17454 1 202 . 1 . 1 55 55 CYS H H 1 7.97 0.01 . 1 . . . . . 42 CYS H . 17454 1 203 . 1 . 1 55 55 CYS CA C 13 58.76 0.03 . 1 . . . . . 42 CYS CA . 17454 1 204 . 1 . 1 55 55 CYS CB C 13 27.73 0.05 . 1 . . . . . 42 CYS CB . 17454 1 205 . 1 . 1 55 55 CYS N N 15 119.32 0.02 . 1 . . . . . 42 CYS N . 17454 1 206 . 1 . 1 56 56 SER H H 1 8.05 0.00 . 1 . . . . . 43 SER H . 17454 1 207 . 1 . 1 56 56 SER CA C 13 58.26 0.02 . 1 . . . . . 43 SER CA . 17454 1 208 . 1 . 1 56 56 SER CB C 13 63.79 0.02 . 1 . . . . . 43 SER CB . 17454 1 209 . 1 . 1 56 56 SER N N 15 117.56 0.02 . 1 . . . . . 43 SER N . 17454 1 210 . 1 . 1 57 57 THR H H 1 8.00 0.00 . 1 . . . . . 44 THR H . 17454 1 211 . 1 . 1 57 57 THR CA C 13 61.77 0.04 . 1 . . . . . 44 THR CA . 17454 1 212 . 1 . 1 57 57 THR CB C 13 69.15 0.01 . 1 . . . . . 44 THR CB . 17454 1 213 . 1 . 1 57 57 THR N N 15 115.62 0.04 . 1 . . . . . 44 THR N . 17454 1 214 . 1 . 1 58 58 SER H H 1 8.09 0.00 . 1 . . . . . 45 SER H . 17454 1 215 . 1 . 1 58 58 SER CA C 13 58.32 0.03 . 1 . . . . . 45 SER CA . 17454 1 216 . 1 . 1 58 58 SER CB C 13 63.71 0.01 . 1 . . . . . 45 SER CB . 17454 1 217 . 1 . 1 58 58 SER N N 15 118.17 0.06 . 1 . . . . . 45 SER N . 17454 1 218 . 1 . 1 59 59 SER H H 1 8.13 0.00 . 1 . . . . . 46 SER H . 17454 1 219 . 1 . 1 59 59 SER CA C 13 58.32 0.02 . 1 . . . . . 46 SER CA . 17454 1 220 . 1 . 1 59 59 SER CB C 13 63.70 0.01 . 1 . . . . . 46 SER CB . 17454 1 221 . 1 . 1 59 59 SER N N 15 118.32 0.05 . 1 . . . . . 46 SER N . 17454 1 222 . 1 . 1 60 60 SER H H 1 8.17 0.00 . 1 . . . . . 47 SER H . 17454 1 223 . 1 . 1 60 60 SER CA C 13 58.43 0.07 . 1 . . . . . 47 SER CA . 17454 1 224 . 1 . 1 60 60 SER CB C 13 63.65 0.02 . 1 . . . . . 47 SER CB . 17454 1 225 . 1 . 1 60 60 SER N N 15 118.48 0.04 . 1 . . . . . 47 SER N . 17454 1 226 . 1 . 1 61 61 GLY H H 1 8.17 0.00 . 1 . . . . . 48 GLY H . 17454 1 227 . 1 . 1 61 61 GLY CA C 13 45.15 0.05 . 1 . . . . . 48 GLY CA . 17454 1 228 . 1 . 1 61 61 GLY N N 15 110.91 0.06 . 1 . . . . . 48 GLY N . 17454 1 229 . 1 . 1 62 62 ASN H H 1 8.09 0.00 . 1 . . . . . 49 ASN H . 17454 1 230 . 1 . 1 62 62 ASN CA C 13 53.00 0.06 . 1 . . . . . 49 ASN CA . 17454 1 231 . 1 . 1 62 62 ASN CB C 13 38.45 0.03 . 1 . . . . . 49 ASN CB . 17454 1 232 . 1 . 1 62 62 ASN N N 15 119.55 0.04 . 1 . . . . . 49 ASN N . 17454 1 233 . 1 . 1 63 63 VAL H H 1 7.85 0.00 . 1 . . . . . 50 VAL H . 17454 1 234 . 1 . 1 63 63 VAL CA C 13 62.27 0.06 . 1 . . . . . 50 VAL CA . 17454 1 235 . 1 . 1 63 63 VAL CB C 13 31.48 0.03 . 1 . . . . . 50 VAL CB . 17454 1 236 . 1 . 1 63 63 VAL N N 15 120.27 0.00 . 1 . . . . . 50 VAL N . 17454 1 237 . 1 . 1 64 64 HIS H H 1 8.27 0.00 . 1 . . . . . 51 HIS H . 17454 1 238 . 1 . 1 64 64 HIS CA C 13 55.24 0.01 . 1 . . . . . 51 HIS CA . 17454 1 239 . 1 . 1 64 64 HIS CB C 13 28.65 0.57 . 1 . . . . . 51 HIS CB . 17454 1 240 . 1 . 1 64 64 HIS N N 15 121.55 0.03 . 1 . . . . . 51 HIS N . 17454 1 241 . 1 . 1 65 65 HIS CA C 13 55.26 0.04 . 1 . . . . . 52 HIS CA . 17454 1 242 . 1 . 1 65 65 HIS CB C 13 28.81 0.57 . 1 . . . . . 52 HIS CB . 17454 1 243 . 1 . 1 66 66 CYS H H 1 8.34 0.00 . 1 . . . . . 53 CYS H . 17454 1 244 . 1 . 1 66 66 CYS CA C 13 59.08 0.04 . 1 . . . . . 53 CYS CA . 17454 1 245 . 1 . 1 66 66 CYS CB C 13 27.76 0.05 . 1 . . . . . 53 CYS CB . 17454 1 246 . 1 . 1 66 66 CYS N N 15 120.32 0.05 . 1 . . . . . 53 CYS N . 17454 1 247 . 1 . 1 67 67 PHE H H 1 8.11 0.00 . 1 . . . . . 54 PHE H . 17454 1 248 . 1 . 1 67 67 PHE CA C 13 57.40 0.04 . 1 . . . . . 54 PHE CA . 17454 1 249 . 1 . 1 67 67 PHE CB C 13 38.98 0.04 . 1 . . . . . 54 PHE CB . 17454 1 250 . 1 . 1 67 67 PHE N N 15 120.50 0.04 . 1 . . . . . 54 PHE N . 17454 1 251 . 1 . 1 68 68 SER H H 1 8.27 0.00 . 1 . . . . . 55 SER H . 17454 1 252 . 1 . 1 68 68 SER CA C 13 58.43 0.07 . 1 . . . . . 55 SER CA . 17454 1 253 . 1 . 1 68 68 SER CB C 13 63.85 0.00 . 1 . . . . . 55 SER CB . 17454 1 254 . 1 . 1 68 68 SER N N 15 116.59 0.04 . 1 . . . . . 55 SER N . 17454 1 255 . 1 . 1 69 69 SER H H 1 8.03 0.00 . 1 . . . . . 56 SER H . 17454 1 256 . 1 . 1 69 69 SER CA C 13 57.87 0.05 . 1 . . . . . 56 SER CA . 17454 1 257 . 1 . 1 69 69 SER CB C 13 63.98 0.01 . 1 . . . . . 56 SER CB . 17454 1 258 . 1 . 1 69 69 SER N N 15 117.65 0.06 . 1 . . . . . 56 SER N . 17454 1 259 . 1 . 1 70 70 SER H H 1 8.13 0.01 . 1 . . . . . 57 SER H . 17454 1 260 . 1 . 1 70 70 SER CA C 13 56.04 0.02 . 1 . . . . . 57 SER CA . 17454 1 261 . 1 . 1 70 70 SER CB C 13 63.63 0.57 . 1 . . . . . 57 SER CB . 17454 1 262 . 1 . 1 70 70 SER N N 15 117.85 0.00 . 1 . . . . . 57 SER N . 17454 1 263 . 1 . 1 71 71 PRO CA C 13 63.82 0.04 . 1 . . . . . 58 PRO CA . 17454 1 264 . 1 . 1 71 71 PRO CB C 13 30.83 0.05 . 1 . . . . . 58 PRO CB . 17454 1 265 . 1 . 1 72 72 ASN H H 1 8.16 0.00 . 1 . . . . . 59 ASN H . 17454 1 266 . 1 . 1 72 72 ASN CA C 13 54.99 0.02 . 1 . . . . . 59 ASN CA . 17454 1 267 . 1 . 1 72 72 ASN CB C 13 37.80 0.02 . 1 . . . . . 59 ASN CB . 17454 1 268 . 1 . 1 72 72 ASN N N 15 116.19 0.03 . 1 . . . . . 59 ASN N . 17454 1 269 . 1 . 1 73 73 GLU H H 1 7.93 0.00 . 1 . . . . . 60 GLU H . 17454 1 270 . 1 . 1 73 73 GLU CA C 13 57.73 0.07 . 1 . . . . . 60 GLU CA . 17454 1 271 . 1 . 1 73 73 GLU CB C 13 28.75 0.14 . 1 . . . . . 60 GLU CB . 17454 1 272 . 1 . 1 73 73 GLU N N 15 120.11 0.06 . 1 . . . . . 60 GLU N . 17454 1 273 . 1 . 1 74 74 TRP H H 1 7.89 0.00 . 1 . . . . . 61 TRP H . 17454 1 274 . 1 . 1 74 74 TRP CA C 13 58.93 0.04 . 1 . . . . . 61 TRP CA . 17454 1 275 . 1 . 1 74 74 TRP CB C 13 28.70 0.57 . 1 . . . . . 61 TRP CB . 17454 1 276 . 1 . 1 74 74 TRP N N 15 121.22 0.04 . 1 . . . . . 61 TRP N . 17454 1 277 . 1 . 1 75 75 LEU H H 1 7.76 0.00 . 1 . . . . . 62 LEU H . 17454 1 278 . 1 . 1 75 75 LEU CA C 13 56.15 0.03 . 1 . . . . . 62 LEU CA . 17454 1 279 . 1 . 1 75 75 LEU CB C 13 40.68 0.11 . 1 . . . . . 62 LEU CB . 17454 1 280 . 1 . 1 75 75 LEU N N 15 118.86 0.04 . 1 . . . . . 62 LEU N . 17454 1 281 . 1 . 1 76 76 GLN H H 1 7.54 0.01 . 1 . . . . . 63 GLN H . 17454 1 282 . 1 . 1 76 76 GLN CA C 13 56.50 0.06 . 1 . . . . . 63 GLN CA . 17454 1 283 . 1 . 1 76 76 GLN CB C 13 28.12 0.04 . 1 . . . . . 63 GLN CB . 17454 1 284 . 1 . 1 76 76 GLN N N 15 116.11 0.06 . 1 . . . . . 63 GLN N . 17454 1 285 . 1 . 1 77 77 SER H H 1 7.76 0.00 . 1 . . . . . 64 SER H . 17454 1 286 . 1 . 1 77 77 SER CA C 13 58.87 0.02 . 1 . . . . . 64 SER CA . 17454 1 287 . 1 . 1 77 77 SER CB C 13 63.97 0.57 . 1 . . . . . 64 SER CB . 17454 1 288 . 1 . 1 77 77 SER N N 15 115.25 0.05 . 1 . . . . . 64 SER N . 17454 1 289 . 1 . 1 144 144 SER CA C 13 60.02 0.38 . 1 . . . . . 131 SER CA . 17454 1 290 . 1 . 1 144 144 SER CB C 13 63.56 0.57 . 1 . . . . . 131 SER CB . 17454 1 291 . 1 . 1 145 145 TYR H H 1 7.94 0.00 . 1 . . . . . 132 TYR H . 17454 1 292 . 1 . 1 145 145 TYR CA C 13 59.89 0.02 . 1 . . . . . 132 TYR CA . 17454 1 293 . 1 . 1 145 145 TYR CB C 13 37.24 0.57 . 1 . . . . . 132 TYR CB . 17454 1 294 . 1 . 1 145 145 TYR N N 15 121.12 0.03 . 1 . . . . . 132 TYR N . 17454 1 295 . 1 . 1 146 146 GLY H H 1 8.17 0.00 . 1 . . . . . 133 GLY H . 17454 1 296 . 1 . 1 146 146 GLY CA C 13 46.77 0.00 . 1 . . . . . 133 GLY CA . 17454 1 297 . 1 . 1 146 146 GLY N N 15 107.08 0.04 . 1 . . . . . 133 GLY N . 17454 1 298 . 1 . 1 162 162 SER CA C 13 62.88 0.08 . 1 . . . . . 149 SER CA . 17454 1 299 . 1 . 1 163 163 GLY H H 1 8.15 0.00 . 1 . . . . . 150 GLY H . 17454 1 300 . 1 . 1 163 163 GLY CA C 13 47.14 0.04 . 1 . . . . . 150 GLY CA . 17454 1 301 . 1 . 1 163 163 GLY N N 15 109.42 0.04 . 1 . . . . . 150 GLY N . 17454 1 302 . 1 . 1 164 164 VAL H H 1 8.08 0.00 . 1 . . . . . 151 VAL H . 17454 1 303 . 1 . 1 164 164 VAL CA C 13 66.57 0.08 . 1 . . . . . 151 VAL CA . 17454 1 304 . 1 . 1 164 164 VAL CB C 13 28.63 0.10 . 1 . . . . . 151 VAL CB . 17454 1 305 . 1 . 1 164 164 VAL N N 15 121.57 0.03 . 1 . . . . . 151 VAL N . 17454 1 306 . 1 . 1 165 165 ILE H H 1 8.13 0.01 . 1 . . . . . 152 ILE H . 17454 1 307 . 1 . 1 165 165 ILE CA C 13 65.03 0.06 . 1 . . . . . 152 ILE CA . 17454 1 308 . 1 . 1 165 165 ILE CB C 13 36.24 0.04 . 1 . . . . . 152 ILE CB . 17454 1 309 . 1 . 1 165 165 ILE N N 15 119.31 0.04 . 1 . . . . . 152 ILE N . 17454 1 310 . 1 . 1 166 166 TYR H H 1 8.31 0.00 . 1 . . . . . 153 TYR H . 17454 1 311 . 1 . 1 166 166 TYR CA C 13 62.11 0.10 . 1 . . . . . 153 TYR CA . 17454 1 312 . 1 . 1 166 166 TYR CB C 13 37.87 0.07 . 1 . . . . . 153 TYR CB . 17454 1 313 . 1 . 1 166 166 TYR N N 15 120.09 0.04 . 1 . . . . . 153 TYR N . 17454 1 314 . 1 . 1 167 167 VAL H H 1 8.00 0.00 . 1 . . . . . 154 VAL H . 17454 1 315 . 1 . 1 167 167 VAL CA C 13 66.34 0.05 . 1 . . . . . 154 VAL CA . 17454 1 316 . 1 . 1 167 167 VAL CB C 13 30.46 0.08 . 1 . . . . . 154 VAL CB . 17454 1 317 . 1 . 1 167 167 VAL N N 15 117.19 0.03 . 1 . . . . . 154 VAL N . 17454 1 318 . 1 . 1 168 168 ILE H H 1 8.00 0.01 . 1 . . . . . 155 ILE H . 17454 1 319 . 1 . 1 168 168 ILE CA C 13 64.70 0.04 . 1 . . . . . 155 ILE CA . 17454 1 320 . 1 . 1 168 168 ILE CB C 13 36.74 0.06 . 1 . . . . . 155 ILE CB . 17454 1 321 . 1 . 1 168 168 ILE N N 15 119.38 0.03 . 1 . . . . . 155 ILE N . 17454 1 322 . 1 . 1 169 169 LEU H H 1 8.19 0.00 . 1 . . . . . 156 LEU H . 17454 1 323 . 1 . 1 169 169 LEU CA C 13 56.62 0.04 . 1 . . . . . 156 LEU CA . 17454 1 324 . 1 . 1 169 169 LEU CB C 13 40.97 0.08 . 1 . . . . . 156 LEU CB . 17454 1 325 . 1 . 1 169 169 LEU N N 15 118.68 0.03 . 1 . . . . . 156 LEU N . 17454 1 326 . 1 . 1 170 170 ARG H H 1 7.88 0.01 . 1 . . . . . 157 ARG H . 17454 1 327 . 1 . 1 170 170 ARG CA C 13 56.52 0.02 . 1 . . . . . 157 ARG CA . 17454 1 328 . 1 . 1 170 170 ARG CB C 13 28.69 0.09 . 1 . . . . . 157 ARG CB . 17454 1 329 . 1 . 1 170 170 ARG N N 15 118.59 0.03 . 1 . . . . . 157 ARG N . 17454 1 330 . 1 . 1 171 171 LYS H H 1 7.84 0.00 . 1 . . . . . 158 LYS H . 17454 1 331 . 1 . 1 171 171 LYS CA C 13 56.13 0.06 . 1 . . . . . 158 LYS CA . 17454 1 332 . 1 . 1 171 171 LYS CB C 13 31.53 0.02 . 1 . . . . . 158 LYS CB . 17454 1 333 . 1 . 1 171 171 LYS N N 15 119.85 0.07 . 1 . . . . . 158 LYS N . 17454 1 334 . 1 . 1 172 172 ARG H H 1 7.74 0.00 . 1 . . . . . 159 ARG H . 17454 1 335 . 1 . 1 172 172 ARG CA C 13 55.90 0.05 . 1 . . . . . 159 ARG CA . 17454 1 336 . 1 . 1 172 172 ARG CB C 13 29.94 0.00 . 1 . . . . . 159 ARG CB . 17454 1 337 . 1 . 1 172 172 ARG N N 15 121.51 0.01 . 1 . . . . . 159 ARG N . 17454 1 338 . 1 . 1 173 173 GLU H H 1 7.59 0.00 . 1 . . . . . 160 GLU H . 17454 1 339 . 1 . 1 173 173 GLU CA C 13 57.34 0.01 . 1 . . . . . 160 GLU CA . 17454 1 340 . 1 . 1 173 173 GLU CB C 13 29.88 0.57 . 1 . . . . . 160 GLU CB . 17454 1 341 . 1 . 1 173 173 GLU N N 15 126.19 0.06 . 1 . . . . . 160 GLU N . 17454 1 stop_ save_