################################### # 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_hCc_ox_high_salt _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hCc_ox_high_salt _Assigned_chem_shift_list.Entry_ID 17847 _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 '2D 1H-15N HSQC' . . . 17847 1 2 '3D HNCACB' . . . 17847 1 3 '3D CBCA(CO)NH' . . . 17847 1 4 '3D HNCO' . . . 17847 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 168.12 0.4 . 1 . . . . 1 GLY C . 17847 1 2 . 1 1 1 1 GLY CA C 13 42.84 0.4 . 1 . . . . 1 GLY CA . 17847 1 3 . 1 1 2 2 ASP H H 1 9.47 0.04 . 1 . . . . 2 ASP H . 17847 1 4 . 1 1 2 2 ASP C C 13 175.81 0.4 . 1 . . . . 2 ASP C . 17847 1 5 . 1 1 2 2 ASP CA C 13 52.88 0.4 . 1 . . . . 2 ASP CA . 17847 1 6 . 1 1 2 2 ASP CB C 13 42.82 0.4 . 1 . . . . 2 ASP CB . 17847 1 7 . 1 1 2 2 ASP N N 15 125.05 0.2 . 1 . . . . 2 ASP N . 17847 1 8 . 1 1 3 3 VAL H H 1 8.57 0.04 . 1 . . . . 3 VAL H . 17847 1 9 . 1 1 3 3 VAL C C 13 177.40 0.4 . 1 . . . . 3 VAL C . 17847 1 10 . 1 1 3 3 VAL CA C 13 66.30 0.4 . 1 . . . . 3 VAL CA . 17847 1 11 . 1 1 3 3 VAL CB C 13 32.27 0.4 . 1 . . . . 3 VAL CB . 17847 1 12 . 1 1 3 3 VAL N N 15 124.04 0.2 . 1 . . . . 3 VAL N . 17847 1 13 . 1 1 4 4 GLU H H 1 8.09 0.04 . 1 . . . . 4 GLU H . 17847 1 14 . 1 1 4 4 GLU C C 13 180.22 0.4 . 1 . . . . 4 GLU C . 17847 1 15 . 1 1 4 4 GLU CA C 13 59.19 0.4 . 1 . . . . 4 GLU CA . 17847 1 16 . 1 1 4 4 GLU CB C 13 28.82 0.4 . 1 . . . . 4 GLU CB . 17847 1 17 . 1 1 4 4 GLU N N 15 120.30 0.2 . 1 . . . . 4 GLU N . 17847 1 18 . 1 1 5 5 LYS H H 1 8.03 0.04 . 1 . . . . 5 LYS H . 17847 1 19 . 1 1 5 5 LYS C C 13 180.45 0.4 . 1 . . . . 5 LYS C . 17847 1 20 . 1 1 5 5 LYS CA C 13 59.62 0.4 . 1 . . . . 5 LYS CA . 17847 1 21 . 1 1 5 5 LYS CB C 13 32.62 0.4 . 1 . . . . 5 LYS CB . 17847 1 22 . 1 1 5 5 LYS N N 15 120.95 0.2 . 1 . . . . 5 LYS N . 17847 1 23 . 1 1 6 6 GLY H H 1 8.61 0.04 . 1 . . . . 6 GLY H . 17847 1 24 . 1 1 6 6 GLY C C 13 174.21 0.4 . 1 . . . . 6 GLY C . 17847 1 25 . 1 1 6 6 GLY CA C 13 46.66 0.4 . 1 . . . . 6 GLY CA . 17847 1 26 . 1 1 6 6 GLY N N 15 107.24 0.2 . 1 . . . . 6 GLY N . 17847 1 27 . 1 1 7 7 LYS H H 1 8.01 0.04 . 1 . . . . 7 LYS H . 17847 1 28 . 1 1 7 7 LYS C C 13 177.57 0.4 . 1 . . . . 7 LYS C . 17847 1 29 . 1 1 7 7 LYS CA C 13 59.28 0.4 . 1 . . . . 7 LYS CA . 17847 1 30 . 1 1 7 7 LYS CB C 13 32.24 0.4 . 1 . . . . 7 LYS CB . 17847 1 31 . 1 1 7 7 LYS N N 15 124.13 0.2 . 1 . . . . 7 LYS N . 17847 1 32 . 1 1 8 8 LYS H H 1 6.92 0.04 . 1 . . . . 8 LYS H . 17847 1 33 . 1 1 8 8 LYS C C 13 179.37 0.4 . 1 . . . . 8 LYS C . 17847 1 34 . 1 1 8 8 LYS CA C 13 59.62 0.4 . 1 . . . . 8 LYS CA . 17847 1 35 . 1 1 8 8 LYS CB C 13 31.90 0.4 . 1 . . . . 8 LYS CB . 17847 1 36 . 1 1 8 8 LYS N N 15 117.02 0.2 . 1 . . . . 8 LYS N . 17847 1 37 . 1 1 9 9 ILE H H 1 7.50 0.04 . 1 . . . . 9 ILE H . 17847 1 38 . 1 1 9 9 ILE C C 13 177.06 0.4 . 1 . . . . 9 ILE C . 17847 1 39 . 1 1 9 9 ILE CA C 13 64.65 0.4 . 1 . . . . 9 ILE CA . 17847 1 40 . 1 1 9 9 ILE CB C 13 37.51 0.4 . 1 . . . . 9 ILE CB . 17847 1 41 . 1 1 9 9 ILE N N 15 118.96 0.2 . 1 . . . . 9 ILE N . 17847 1 42 . 1 1 10 10 PHE H H 1 8.39 0.04 . 1 . . . . 10 PHE H . 17847 1 43 . 1 1 10 10 PHE C C 13 178.77 0.4 . 1 . . . . 10 PHE C . 17847 1 44 . 1 1 10 10 PHE CA C 13 62.71 0.4 . 1 . . . . 10 PHE CA . 17847 1 45 . 1 1 10 10 PHE CB C 13 39.70 0.4 . 1 . . . . 10 PHE CB . 17847 1 46 . 1 1 10 10 PHE N N 15 120.90 0.2 . 1 . . . . 10 PHE N . 17847 1 47 . 1 1 11 11 VAL H H 1 8.87 0.04 . 1 . . . . 11 VAL H . 17847 1 48 . 1 1 11 11 VAL C C 13 177.67 0.4 . 1 . . . . 11 VAL C . 17847 1 49 . 1 1 11 11 VAL CA C 13 66.64 0.4 . 1 . . . . 11 VAL CA . 17847 1 50 . 1 1 11 11 VAL CB C 13 32.01 0.4 . 1 . . . . 11 VAL CB . 17847 1 51 . 1 1 11 11 VAL N N 15 121.41 0.2 . 1 . . . . 11 VAL N . 17847 1 52 . 1 1 12 12 GLN H H 1 7.81 0.04 . 1 . . . . 12 GLN H . 17847 1 53 . 1 1 12 12 GLN HE21 H 1 6.75 0.04 . 2 . . . . 12 GLN HE21 . 17847 1 54 . 1 1 12 12 GLN HE22 H 1 7.37 0.04 . 2 . . . . 12 GLN HE22 . 17847 1 55 . 1 1 12 12 GLN C C 13 178.31 0.4 . 1 . . . . 12 GLN C . 17847 1 56 . 1 1 12 12 GLN CA C 13 58.64 0.4 . 1 . . . . 12 GLN CA . 17847 1 57 . 1 1 12 12 GLN CB C 13 29.76 0.4 . 1 . . . . 12 GLN CB . 17847 1 58 . 1 1 12 12 GLN CD C 13 179.98 0.4 . 1 . . . . 12 GLN CD . 17847 1 59 . 1 1 12 12 GLN CG C 13 34.13 0.4 . 1 . . . . 12 GLN CG . 17847 1 60 . 1 1 12 12 GLN N N 15 117.31 0.2 . 1 . . . . 12 GLN N . 17847 1 61 . 1 1 12 12 GLN NE2 N 15 111.12 0.2 . 1 . . . . 12 GLN NE2 . 17847 1 62 . 1 1 13 13 LYS H H 1 8.46 0.04 . 1 . . . . 13 LYS H . 17847 1 63 . 1 1 13 13 LYS C C 13 176.77 0.4 . 1 . . . . 13 LYS C . 17847 1 64 . 1 1 13 13 LYS CA C 13 56.75 0.4 . 1 . . . . 13 LYS CA . 17847 1 65 . 1 1 13 13 LYS CB C 13 34.80 0.4 . 1 . . . . 13 LYS CB . 17847 1 66 . 1 1 13 13 LYS N N 15 112.51 0.2 . 1 . . . . 13 LYS N . 17847 1 67 . 1 1 14 14 CYS H H 1 8.09 0.04 . 1 . . . . 14 CYS H . 17847 1 68 . 1 1 14 14 CYS C C 13 178.35 0.4 . 1 . . . . 14 CYS C . 17847 1 69 . 1 1 14 14 CYS CA C 13 54.71 0.4 . 1 . . . . 14 CYS CA . 17847 1 70 . 1 1 14 14 CYS CB C 13 37.67 0.4 . 1 . . . . 14 CYS CB . 17847 1 71 . 1 1 14 14 CYS N N 15 114.99 0.2 . 1 . . . . 14 CYS N . 17847 1 72 . 1 1 15 15 ALA H H 1 8.08 0.04 . 1 . . . . 15 ALA H . 17847 1 73 . 1 1 15 15 ALA C C 13 178.66 0.4 . 1 . . . . 15 ALA C . 17847 1 74 . 1 1 15 15 ALA CA C 13 55.28 0.4 . 1 . . . . 15 ALA CA . 17847 1 75 . 1 1 15 15 ALA CB C 13 20.23 0.4 . 1 . . . . 15 ALA CB . 17847 1 76 . 1 1 15 15 ALA N N 15 123.29 0.2 . 1 . . . . 15 ALA N . 17847 1 77 . 1 1 16 16 GLN H H 1 9.87 0.04 . 1 . . . . 16 GLN H . 17847 1 78 . 1 1 16 16 GLN HE21 H 1 6.91 0.04 . 2 . . . . 16 GLN HE21 . 17847 1 79 . 1 1 16 16 GLN HE22 H 1 7.60 0.04 . 2 . . . . 16 GLN HE22 . 17847 1 80 . 1 1 16 16 GLN C C 13 177.95 0.4 . 1 . . . . 16 GLN C . 17847 1 81 . 1 1 16 16 GLN CA C 13 59.11 0.4 . 1 . . . . 16 GLN CA . 17847 1 82 . 1 1 16 16 GLN CB C 13 28.74 0.4 . 1 . . . . 16 GLN CB . 17847 1 83 . 1 1 16 16 GLN CD C 13 180.37 0.4 . 1 . . . . 16 GLN CD . 17847 1 84 . 1 1 16 16 GLN CG C 13 34.00 0.4 . 1 . . . . 16 GLN CG . 17847 1 85 . 1 1 16 16 GLN N N 15 117.37 0.2 . 1 . . . . 16 GLN N . 17847 1 86 . 1 1 16 16 GLN NE2 N 15 111.53 0.2 . 1 . . . . 16 GLN NE2 . 17847 1 87 . 1 1 17 17 CYS H H 1 9.53 0.04 . 1 . . . . 17 CYS H . 17847 1 88 . 1 1 17 17 CYS C C 13 175.63 0.4 . 1 . . . . 17 CYS C . 17847 1 89 . 1 1 17 17 CYS CA C 13 57.97 0.4 . 1 . . . . 17 CYS CA . 17847 1 90 . 1 1 17 17 CYS CB C 13 36.30 0.4 . 1 . . . . 17 CYS CB . 17847 1 91 . 1 1 17 17 CYS N N 15 114.16 0.2 . 1 . . . . 17 CYS N . 17847 1 92 . 1 1 18 18 HIS H H 1 10.78 0.04 . 1 . . . . 18 HIS H . 17847 1 93 . 1 1 18 18 HIS C C 13 177.01 0.4 . 1 . . . . 18 HIS C . 17847 1 94 . 1 1 18 18 HIS CA C 13 76.34 0.4 . 1 . . . . 18 HIS CA . 17847 1 95 . 1 1 18 18 HIS CB C 13 26.66 0.4 . 1 . . . . 18 HIS CB . 17847 1 96 . 1 1 18 18 HIS N N 15 118.40 0.2 . 1 . . . . 18 HIS N . 17847 1 97 . 1 1 19 19 THR H H 1 10.55 0.04 . 1 . . . . 19 THR H . 17847 1 98 . 1 1 19 19 THR C C 13 176.24 0.4 . 1 . . . . 19 THR C . 17847 1 99 . 1 1 19 19 THR CA C 13 60.79 0.4 . 1 . . . . 19 THR CA . 17847 1 100 . 1 1 19 19 THR CB C 13 72.57 0.4 . 1 . . . . 19 THR CB . 17847 1 101 . 1 1 19 19 THR N N 15 113.76 0.2 . 1 . . . . 19 THR N . 17847 1 102 . 1 1 20 20 VAL H H 1 8.85 0.04 . 1 . . . . 20 VAL H . 17847 1 103 . 1 1 20 20 VAL CA C 13 62.17 0.4 . 1 . . . . 20 VAL CA . 17847 1 104 . 1 1 20 20 VAL CB C 13 34.65 0.4 . 1 . . . . 20 VAL CB . 17847 1 105 . 1 1 20 20 VAL N N 15 111.63 0.2 . 1 . . . . 20 VAL N . 17847 1 106 . 1 1 21 21 GLU C C 13 178.23 0.4 . 1 . . . . 21 GLU C . 17847 1 107 . 1 1 21 21 GLU CA C 13 57.29 0.4 . 1 . . . . 21 GLU CA . 17847 1 108 . 1 1 21 21 GLU CB C 13 30.38 0.4 . 1 . . . . 21 GLU CB . 17847 1 109 . 1 1 22 22 LYS H H 1 9.10 0.04 . 1 . . . . 22 LYS H . 17847 1 110 . 1 1 22 22 LYS C C 13 177.88 0.4 . 1 . . . . 22 LYS C . 17847 1 111 . 1 1 22 22 LYS CA C 13 58.31 0.4 . 1 . . . . 22 LYS CA . 17847 1 112 . 1 1 22 22 LYS CB C 13 31.61 0.4 . 1 . . . . 22 LYS CB . 17847 1 113 . 1 1 22 22 LYS N N 15 126.59 0.2 . 1 . . . . 22 LYS N . 17847 1 114 . 1 1 23 23 GLY H H 1 9.38 0.04 . 1 . . . . 23 GLY H . 17847 1 115 . 1 1 23 23 GLY C C 13 175.05 0.4 . 1 . . . . 23 GLY C . 17847 1 116 . 1 1 23 23 GLY CA C 13 45.44 0.4 . 1 . . . . 23 GLY CA . 17847 1 117 . 1 1 23 23 GLY N N 15 117.58 0.2 . 1 . . . . 23 GLY N . 17847 1 118 . 1 1 24 24 GLY H H 1 8.19 0.04 . 1 . . . . 24 GLY H . 17847 1 119 . 1 1 24 24 GLY C C 13 172.90 0.4 . 1 . . . . 24 GLY C . 17847 1 120 . 1 1 24 24 GLY CA C 13 44.91 0.4 . 1 . . . . 24 GLY CA . 17847 1 121 . 1 1 24 24 GLY N N 15 107.67 0.2 . 1 . . . . 24 GLY N . 17847 1 122 . 1 1 25 25 LYS H H 1 8.77 0.04 . 1 . . . . 25 LYS H . 17847 1 123 . 1 1 25 25 LYS C C 13 179.50 0.4 . 1 . . . . 25 LYS C . 17847 1 124 . 1 1 25 25 LYS CA C 13 56.18 0.4 . 1 . . . . 25 LYS CA . 17847 1 125 . 1 1 25 25 LYS CB C 13 33.57 0.4 . 1 . . . . 25 LYS CB . 17847 1 126 . 1 1 25 25 LYS N N 15 119.01 0.2 . 1 . . . . 25 LYS N . 17847 1 127 . 1 1 26 26 HIS H H 1 8.80 0.04 . 1 . . . . 26 HIS H . 17847 1 128 . 1 1 26 26 HIS C C 13 175.75 0.4 . 1 . . . . 26 HIS C . 17847 1 129 . 1 1 26 26 HIS CA C 13 56.23 0.4 . 1 . . . . 26 HIS CA . 17847 1 130 . 1 1 26 26 HIS CB C 13 30.98 0.4 . 1 . . . . 26 HIS CB . 17847 1 131 . 1 1 26 26 HIS N N 15 122.11 0.2 . 1 . . . . 26 HIS N . 17847 1 132 . 1 1 27 27 LYS H H 1 8.17 0.04 . 1 . . . . 27 LYS H . 17847 1 133 . 1 1 27 27 LYS CA C 13 55.32 0.4 . 1 . . . . 27 LYS CA . 17847 1 134 . 1 1 27 27 LYS CB C 13 32.27 0.4 . 1 . . . . 27 LYS CB . 17847 1 135 . 1 1 27 27 LYS N N 15 126.09 0.2 . 1 . . . . 27 LYS N . 17847 1 136 . 1 1 28 28 THR C C 13 172.21 0.4 . 1 . . . . 28 THR C . 17847 1 137 . 1 1 28 28 THR CA C 13 66.10 0.4 . 1 . . . . 28 THR CA . 17847 1 138 . 1 1 28 28 THR CB C 13 68.86 0.4 . 1 . . . . 28 THR CB . 17847 1 139 . 1 1 29 29 GLY H H 1 6.97 0.04 . 1 . . . . 29 GLY H . 17847 1 140 . 1 1 29 29 GLY CA C 13 37.52 0.4 . 1 . . . . 29 GLY CA . 17847 1 141 . 1 1 29 29 GLY N N 15 99.80 0.2 . 1 . . . . 29 GLY N . 17847 1 142 . 1 1 30 30 PRO C C 13 178.02 0.4 . 1 . . . . 30 PRO C . 17847 1 143 . 1 1 30 30 PRO CA C 13 60.07 0.4 . 1 . . . . 30 PRO CA . 17847 1 144 . 1 1 30 30 PRO CB C 13 29.74 0.4 . 1 . . . . 30 PRO CB . 17847 1 145 . 1 1 31 31 ASN H H 1 11.55 0.04 . 1 . . . . 31 ASN H . 17847 1 146 . 1 1 31 31 ASN HD21 H 1 8.07 0.04 . 2 . . . . 31 ASN HD21 . 17847 1 147 . 1 1 31 31 ASN HD22 H 1 8.94 0.04 . 2 . . . . 31 ASN HD22 . 17847 1 148 . 1 1 31 31 ASN C C 13 177.08 0.4 . 1 . . . . 31 ASN C . 17847 1 149 . 1 1 31 31 ASN CA C 13 56.12 0.4 . 1 . . . . 31 ASN CA . 17847 1 150 . 1 1 31 31 ASN CB C 13 41.16 0.4 . 1 . . . . 31 ASN CB . 17847 1 151 . 1 1 31 31 ASN N N 15 127.16 0.2 . 1 . . . . 31 ASN N . 17847 1 152 . 1 1 31 31 ASN ND2 N 15 115.40 0.2 . 1 . . . . 31 ASN ND2 . 17847 1 153 . 1 1 32 32 LEU H H 1 9.53 0.04 . 1 . . . . 32 LEU H . 17847 1 154 . 1 1 32 32 LEU CA C 13 54.28 0.4 . 1 . . . . 32 LEU CA . 17847 1 155 . 1 1 32 32 LEU CB C 13 44.44 0.4 . 1 . . . . 32 LEU CB . 17847 1 156 . 1 1 32 32 LEU N N 15 121.94 0.2 . 1 . . . . 32 LEU N . 17847 1 157 . 1 1 33 33 HIS H H 1 8.19 0.04 . 1 . . . . 33 HIS H . 17847 1 158 . 1 1 33 33 HIS C C 13 177.39 0.4 . 1 . . . . 33 HIS C . 17847 1 159 . 1 1 33 33 HIS CA C 13 60.80 0.4 . 1 . . . . 33 HIS CA . 17847 1 160 . 1 1 33 33 HIS CB C 13 28.72 0.4 . 1 . . . . 33 HIS CB . 17847 1 161 . 1 1 33 33 HIS N N 15 119.98 0.2 . 1 . . . . 33 HIS N . 17847 1 162 . 1 1 34 34 GLY H H 1 9.03 0.04 . 1 . . . . 34 GLY H . 17847 1 163 . 1 1 34 34 GLY C C 13 174.15 0.4 . 1 . . . . 34 GLY C . 17847 1 164 . 1 1 34 34 GLY CA C 13 46.11 0.4 . 1 . . . . 34 GLY CA . 17847 1 165 . 1 1 34 34 GLY N N 15 115.05 0.2 . 1 . . . . 34 GLY N . 17847 1 166 . 1 1 35 35 LEU H H 1 7.09 0.04 . 1 . . . . 35 LEU H . 17847 1 167 . 1 1 35 35 LEU C C 13 176.99 0.4 . 1 . . . . 35 LEU C . 17847 1 168 . 1 1 35 35 LEU CA C 13 58.05 0.4 . 1 . . . . 35 LEU CA . 17847 1 169 . 1 1 35 35 LEU CB C 13 44.43 0.4 . 1 . . . . 35 LEU CB . 17847 1 170 . 1 1 35 35 LEU N N 15 117.31 0.2 . 1 . . . . 35 LEU N . 17847 1 171 . 1 1 36 36 PHE H H 1 8.62 0.04 . 1 . . . . 36 PHE H . 17847 1 172 . 1 1 36 36 PHE C C 13 177.70 0.4 . 1 . . . . 36 PHE C . 17847 1 173 . 1 1 36 36 PHE CA C 13 60.25 0.4 . 1 . . . . 36 PHE CA . 17847 1 174 . 1 1 36 36 PHE CB C 13 37.14 0.4 . 1 . . . . 36 PHE CB . 17847 1 175 . 1 1 36 36 PHE N N 15 112.33 0.2 . 1 . . . . 36 PHE N . 17847 1 176 . 1 1 37 37 GLY H H 1 9.29 0.04 . 1 . . . . 37 GLY H . 17847 1 177 . 1 1 37 37 GLY C C 13 173.39 0.4 . 1 . . . . 37 GLY C . 17847 1 178 . 1 1 37 37 GLY CA C 13 44.93 0.4 . 1 . . . . 37 GLY CA . 17847 1 179 . 1 1 37 37 GLY N N 15 111.48 0.2 . 1 . . . . 37 GLY N . 17847 1 180 . 1 1 38 38 ARG H H 1 8.18 0.04 . 1 . . . . 38 ARG H . 17847 1 181 . 1 1 38 38 ARG CA C 13 55.17 0.4 . 1 . . . . 38 ARG CA . 17847 1 182 . 1 1 38 38 ARG CB C 13 33.31 0.4 . 1 . . . . 38 ARG CB . 17847 1 183 . 1 1 38 38 ARG N N 15 123.76 0.2 . 1 . . . . 38 ARG N . 17847 1 184 . 1 1 39 39 LYS H H 1 8.07 0.04 . 1 . . . . 39 LYS H . 17847 1 185 . 1 1 39 39 LYS C C 13 177.37 0.4 . 1 . . . . 39 LYS C . 17847 1 186 . 1 1 39 39 LYS CA C 13 55.47 0.4 . 1 . . . . 39 LYS CA . 17847 1 187 . 1 1 39 39 LYS CB C 13 33.72 0.4 . 1 . . . . 39 LYS CB . 17847 1 188 . 1 1 39 39 LYS N N 15 121.27 0.2 . 1 . . . . 39 LYS N . 17847 1 189 . 1 1 40 40 THR H H 1 7.55 0.04 . 1 . . . . 40 THR H . 17847 1 190 . 1 1 40 40 THR C C 13 176.69 0.4 . 1 . . . . 40 THR C . 17847 1 191 . 1 1 40 40 THR CA C 13 61.45 0.4 . 1 . . . . 40 THR CA . 17847 1 192 . 1 1 40 40 THR CB C 13 68.70 0.4 . 1 . . . . 40 THR CB . 17847 1 193 . 1 1 40 40 THR N N 15 109.14 0.2 . 1 . . . . 40 THR N . 17847 1 194 . 1 1 41 41 GLY H H 1 9.16 0.04 . 1 . . . . 41 GLY H . 17847 1 195 . 1 1 41 41 GLY C C 13 174.71 0.4 . 1 . . . . 41 GLY C . 17847 1 196 . 1 1 41 41 GLY CA C 13 45.89 0.4 . 1 . . . . 41 GLY CA . 17847 1 197 . 1 1 41 41 GLY N N 15 109.63 0.2 . 1 . . . . 41 GLY N . 17847 1 198 . 1 1 42 42 GLN H H 1 7.71 0.04 . 1 . . . . 42 GLN H . 17847 1 199 . 1 1 42 42 GLN HE21 H 1 6.86 0.04 . 2 . . . . 42 GLN HE21 . 17847 1 200 . 1 1 42 42 GLN HE22 H 1 7.42 0.04 . 2 . . . . 42 GLN HE22 . 17847 1 201 . 1 1 42 42 GLN C C 13 176.25 0.4 . 1 . . . . 42 GLN C . 17847 1 202 . 1 1 42 42 GLN CA C 13 54.67 0.4 . 1 . . . . 42 GLN CA . 17847 1 203 . 1 1 42 42 GLN CB C 13 30.07 0.4 . 1 . . . . 42 GLN CB . 17847 1 204 . 1 1 42 42 GLN CD C 13 180.38 0.4 . 1 . . . . 42 GLN CD . 17847 1 205 . 1 1 42 42 GLN CG C 13 33.68 0.4 . 1 . . . . 42 GLN CG . 17847 1 206 . 1 1 42 42 GLN N N 15 113.10 0.2 . 1 . . . . 42 GLN N . 17847 1 207 . 1 1 42 42 GLN NE2 N 15 113.64 0.2 . 1 . . . . 42 GLN NE2 . 17847 1 208 . 1 1 43 43 ALA H H 1 8.06 0.04 . 1 . . . . 43 ALA H . 17847 1 209 . 1 1 43 43 ALA CA C 13 51.62 0.4 . 1 . . . . 43 ALA CA . 17847 1 210 . 1 1 43 43 ALA CB C 13 18.57 0.4 . 1 . . . . 43 ALA CB . 17847 1 211 . 1 1 43 43 ALA N N 15 125.48 0.2 . 1 . . . . 43 ALA N . 17847 1 212 . 1 1 44 44 PRO C C 13 179.09 0.4 . 1 . . . . 44 PRO C . 17847 1 213 . 1 1 44 44 PRO CA C 13 63.32 0.4 . 1 . . . . 44 PRO CA . 17847 1 214 . 1 1 44 44 PRO CB C 13 31.99 0.4 . 1 . . . . 44 PRO CB . 17847 1 215 . 1 1 45 45 GLY H H 1 8.94 0.04 . 1 . . . . 45 GLY H . 17847 1 216 . 1 1 45 45 GLY C C 13 172.67 0.4 . 1 . . . . 45 GLY C . 17847 1 217 . 1 1 45 45 GLY CA C 13 45.86 0.4 . 1 . . . . 45 GLY CA . 17847 1 218 . 1 1 45 45 GLY N N 15 111.70 0.2 . 1 . . . . 45 GLY N . 17847 1 219 . 1 1 46 46 PHE H H 1 6.87 0.04 . 1 . . . . 46 PHE H . 17847 1 220 . 1 1 46 46 PHE C C 13 173.27 0.4 . 1 . . . . 46 PHE C . 17847 1 221 . 1 1 46 46 PHE CA C 13 56.62 0.4 . 1 . . . . 46 PHE CA . 17847 1 222 . 1 1 46 46 PHE CB C 13 39.94 0.4 . 1 . . . . 46 PHE CB . 17847 1 223 . 1 1 46 46 PHE N N 15 119.70 0.2 . 1 . . . . 46 PHE N . 17847 1 224 . 1 1 47 47 THR H H 1 6.70 0.04 . 1 . . . . 47 THR H . 17847 1 225 . 1 1 47 47 THR C C 13 171.57 0.4 . 1 . . . . 47 THR C . 17847 1 226 . 1 1 47 47 THR CA C 13 61.05 0.4 . 1 . . . . 47 THR CA . 17847 1 227 . 1 1 47 47 THR CB C 13 67.31 0.4 . 1 . . . . 47 THR CB . 17847 1 228 . 1 1 47 47 THR N N 15 123.61 0.2 . 1 . . . . 47 THR N . 17847 1 229 . 1 1 48 48 TYR H H 1 7.97 0.04 . 1 . . . . 48 TYR H . 17847 1 230 . 1 1 48 48 TYR C C 13 178.63 0.4 . 1 . . . . 48 TYR C . 17847 1 231 . 1 1 48 48 TYR CA C 13 57.90 0.4 . 1 . . . . 48 TYR CA . 17847 1 232 . 1 1 48 48 TYR CB C 13 41.56 0.4 . 1 . . . . 48 TYR CB . 17847 1 233 . 1 1 48 48 TYR N N 15 126.59 0.2 . 1 . . . . 48 TYR N . 17847 1 234 . 1 1 49 49 THR H H 1 9.64 0.04 . 1 . . . . 49 THR H . 17847 1 235 . 1 1 49 49 THR C C 13 176.24 0.4 . 1 . . . . 49 THR C . 17847 1 236 . 1 1 49 49 THR CA C 13 62.30 0.4 . 1 . . . . 49 THR CA . 17847 1 237 . 1 1 49 49 THR CB C 13 71.34 0.4 . 1 . . . . 49 THR CB . 17847 1 238 . 1 1 49 49 THR N N 15 112.56 0.2 . 1 . . . . 49 THR N . 17847 1 239 . 1 1 50 50 ASP H H 1 8.83 0.04 . 1 . . . . 50 ASP H . 17847 1 240 . 1 1 50 50 ASP C C 13 178.27 0.4 . 1 . . . . 50 ASP C . 17847 1 241 . 1 1 50 50 ASP CA C 13 57.58 0.4 . 1 . . . . 50 ASP CA . 17847 1 242 . 1 1 50 50 ASP CB C 13 39.58 0.4 . 1 . . . . 50 ASP CB . 17847 1 243 . 1 1 50 50 ASP N N 15 122.71 0.2 . 1 . . . . 50 ASP N . 17847 1 244 . 1 1 51 51 ALA H H 1 8.05 0.04 . 1 . . . . 51 ALA H . 17847 1 245 . 1 1 51 51 ALA C C 13 179.89 0.4 . 1 . . . . 51 ALA C . 17847 1 246 . 1 1 51 51 ALA CA C 13 55.18 0.4 . 1 . . . . 51 ALA CA . 17847 1 247 . 1 1 51 51 ALA CB C 13 19.06 0.4 . 1 . . . . 51 ALA CB . 17847 1 248 . 1 1 51 51 ALA N N 15 119.75 0.2 . 1 . . . . 51 ALA N . 17847 1 249 . 1 1 52 52 ASN H H 1 8.56 0.04 . 1 . . . . 52 ASN H . 17847 1 250 . 1 1 52 52 ASN HD21 H 1 7.33 0.04 . 2 . . . . 52 ASN HD21 . 17847 1 251 . 1 1 52 52 ASN HD22 H 1 7.82 0.04 . 2 . . . . 52 ASN HD22 . 17847 1 252 . 1 1 52 52 ASN C C 13 179.16 0.4 . 1 . . . . 52 ASN C . 17847 1 253 . 1 1 52 52 ASN CA C 13 55.15 0.4 . 1 . . . . 52 ASN CA . 17847 1 254 . 1 1 52 52 ASN CB C 13 40.26 0.4 . 1 . . . . 52 ASN CB . 17847 1 255 . 1 1 52 52 ASN CG C 13 175.55 0.4 . 1 . . . . 52 ASN CG . 17847 1 256 . 1 1 52 52 ASN N N 15 117.16 0.2 . 1 . . . . 52 ASN N . 17847 1 257 . 1 1 52 52 ASN ND2 N 15 109.87 0.2 . 1 . . . . 52 ASN ND2 . 17847 1 258 . 1 1 53 53 LYS H H 1 8.63 0.04 . 1 . . . . 53 LYS H . 17847 1 259 . 1 1 53 53 LYS C C 13 177.69 0.4 . 1 . . . . 53 LYS C . 17847 1 260 . 1 1 53 53 LYS CA C 13 59.64 0.4 . 1 . . . . 53 LYS CA . 17847 1 261 . 1 1 53 53 LYS CB C 13 32.63 0.4 . 1 . . . . 53 LYS CB . 17847 1 262 . 1 1 53 53 LYS N N 15 121.31 0.2 . 1 . . . . 53 LYS N . 17847 1 263 . 1 1 54 54 ASN H H 1 8.18 0.04 . 1 . . . . 54 ASN H . 17847 1 264 . 1 1 54 54 ASN HD21 H 1 6.98 0.04 . 2 . . . . 54 ASN HD21 . 17847 1 265 . 1 1 54 54 ASN HD22 H 1 7.44 0.04 . 2 . . . . 54 ASN HD22 . 17847 1 266 . 1 1 54 54 ASN C C 13 176.28 0.4 . 1 . . . . 54 ASN C . 17847 1 267 . 1 1 54 54 ASN CA C 13 53.16 0.4 . 1 . . . . 54 ASN CA . 17847 1 268 . 1 1 54 54 ASN CB C 13 38.93 0.4 . 1 . . . . 54 ASN CB . 17847 1 269 . 1 1 54 54 ASN CG C 13 176.95 0.4 . 1 . . . . 54 ASN CG . 17847 1 270 . 1 1 54 54 ASN N N 15 112.81 0.2 . 1 . . . . 54 ASN N . 17847 1 271 . 1 1 54 54 ASN ND2 N 15 112.35 0.2 . 1 . . . . 54 ASN ND2 . 17847 1 272 . 1 1 55 55 LYS H H 1 7.02 0.04 . 1 . . . . 55 LYS H . 17847 1 273 . 1 1 55 55 LYS C C 13 177.85 0.4 . 1 . . . . 55 LYS C . 17847 1 274 . 1 1 55 55 LYS CA C 13 58.41 0.4 . 1 . . . . 55 LYS CA . 17847 1 275 . 1 1 55 55 LYS CB C 13 30.50 0.4 . 1 . . . . 55 LYS CB . 17847 1 276 . 1 1 55 55 LYS N N 15 121.55 0.2 . 1 . . . . 55 LYS N . 17847 1 277 . 1 1 56 56 GLY H H 1 7.82 0.04 . 1 . . . . 56 GLY H . 17847 1 278 . 1 1 56 56 GLY C C 13 174.66 0.4 . 1 . . . . 56 GLY C . 17847 1 279 . 1 1 56 56 GLY CA C 13 46.86 0.4 . 1 . . . . 56 GLY CA . 17847 1 280 . 1 1 56 56 GLY N N 15 103.05 0.2 . 1 . . . . 56 GLY N . 17847 1 281 . 1 1 57 57 ILE H H 1 6.55 0.04 . 1 . . . . 57 ILE H . 17847 1 282 . 1 1 57 57 ILE C C 13 174.21 0.4 . 1 . . . . 57 ILE C . 17847 1 283 . 1 1 57 57 ILE CA C 13 57.83 0.4 . 1 . . . . 57 ILE CA . 17847 1 284 . 1 1 57 57 ILE CB C 13 41.03 0.4 . 1 . . . . 57 ILE CB . 17847 1 285 . 1 1 57 57 ILE N N 15 111.32 0.2 . 1 . . . . 57 ILE N . 17847 1 286 . 1 1 58 58 THR H H 1 8.22 0.04 . 1 . . . . 58 THR H . 17847 1 287 . 1 1 58 58 THR C C 13 174.83 0.4 . 1 . . . . 58 THR C . 17847 1 288 . 1 1 58 58 THR CA C 13 61.79 0.4 . 1 . . . . 58 THR CA . 17847 1 289 . 1 1 58 58 THR CB C 13 69.76 0.4 . 1 . . . . 58 THR CB . 17847 1 290 . 1 1 58 58 THR N N 15 116.25 0.2 . 1 . . . . 58 THR N . 17847 1 291 . 1 1 59 59 TRP H H 1 8.74 0.04 . 1 . . . . 59 TRP H . 17847 1 292 . 1 1 59 59 TRP C C 13 173.86 0.4 . 1 . . . . 59 TRP C . 17847 1 293 . 1 1 59 59 TRP CA C 13 57.17 0.4 . 1 . . . . 59 TRP CA . 17847 1 294 . 1 1 59 59 TRP CB C 13 29.73 0.4 . 1 . . . . 59 TRP CB . 17847 1 295 . 1 1 59 59 TRP N N 15 129.16 0.2 . 1 . . . . 59 TRP N . 17847 1 296 . 1 1 60 60 LYS H H 1 8.00 0.04 . 1 . . . . 60 LYS H . 17847 1 297 . 1 1 60 60 LYS C C 13 174.83 0.4 . 1 . . . . 60 LYS C . 17847 1 298 . 1 1 60 60 LYS CA C 13 54.75 0.4 . 1 . . . . 60 LYS CA . 17847 1 299 . 1 1 60 60 LYS CB C 13 34.31 0.4 . 1 . . . . 60 LYS CB . 17847 1 300 . 1 1 60 60 LYS N N 15 120.22 0.2 . 1 . . . . 60 LYS N . 17847 1 301 . 1 1 61 61 GLU H H 1 10.47 0.04 . 1 . . . . 61 GLU H . 17847 1 302 . 1 1 61 61 GLU C C 13 177.95 0.4 . 1 . . . . 61 GLU C . 17847 1 303 . 1 1 61 61 GLU CA C 13 63.53 0.4 . 1 . . . . 61 GLU CA . 17847 1 304 . 1 1 61 61 GLU CB C 13 28.67 0.4 . 1 . . . . 61 GLU CB . 17847 1 305 . 1 1 61 61 GLU N N 15 122.99 0.2 . 1 . . . . 61 GLU N . 17847 1 306 . 1 1 62 62 GLU H H 1 9.56 0.04 . 1 . . . . 62 GLU H . 17847 1 307 . 1 1 62 62 GLU C C 13 179.64 0.4 . 1 . . . . 62 GLU C . 17847 1 308 . 1 1 62 62 GLU CA C 13 60.86 0.4 . 1 . . . . 62 GLU CA . 17847 1 309 . 1 1 62 62 GLU CB C 13 29.72 0.4 . 1 . . . . 62 GLU CB . 17847 1 310 . 1 1 62 62 GLU N N 15 114.59 0.2 . 1 . . . . 62 GLU N . 17847 1 311 . 1 1 63 63 THR H H 1 7.04 0.04 . 1 . . . . 63 THR H . 17847 1 312 . 1 1 63 63 THR C C 13 177.50 0.4 . 1 . . . . 63 THR C . 17847 1 313 . 1 1 63 63 THR CA C 13 62.93 0.4 . 1 . . . . 63 THR CA . 17847 1 314 . 1 1 63 63 THR CB C 13 68.97 0.4 . 1 . . . . 63 THR CB . 17847 1 315 . 1 1 63 63 THR N N 15 108.39 0.2 . 1 . . . . 63 THR N . 17847 1 316 . 1 1 64 64 LEU H H 1 8.50 0.04 . 1 . . . . 64 LEU H . 17847 1 317 . 1 1 64 64 LEU C C 13 178.46 0.4 . 1 . . . . 64 LEU C . 17847 1 318 . 1 1 64 64 LEU CA C 13 58.26 0.4 . 1 . . . . 64 LEU CA . 17847 1 319 . 1 1 64 64 LEU CB C 13 42.21 0.4 . 1 . . . . 64 LEU CB . 17847 1 320 . 1 1 64 64 LEU N N 15 122.12 0.2 . 1 . . . . 64 LEU N . 17847 1 321 . 1 1 65 65 MET H H 1 8.22 0.04 . 1 . . . . 65 MET H . 17847 1 322 . 1 1 65 65 MET C C 13 177.65 0.4 . 1 . . . . 65 MET C . 17847 1 323 . 1 1 65 65 MET CA C 13 58.00 0.4 . 1 . . . . 65 MET CA . 17847 1 324 . 1 1 65 65 MET CB C 13 31.31 0.4 . 1 . . . . 65 MET CB . 17847 1 325 . 1 1 65 65 MET N N 15 118.39 0.2 . 1 . . . . 65 MET N . 17847 1 326 . 1 1 66 66 GLU H H 1 6.65 0.04 . 1 . . . . 66 GLU H . 17847 1 327 . 1 1 66 66 GLU CA C 13 58.39 0.4 . 1 . . . . 66 GLU CA . 17847 1 328 . 1 1 66 66 GLU CB C 13 30.11 0.4 . 1 . . . . 66 GLU CB . 17847 1 329 . 1 1 66 66 GLU N N 15 117.62 0.2 . 1 . . . . 66 GLU N . 17847 1 330 . 1 1 67 67 TYR H H 1 8.07 0.04 . 1 . . . . 67 TYR H . 17847 1 331 . 1 1 67 67 TYR C C 13 176.97 0.4 . 1 . . . . 67 TYR C . 17847 1 332 . 1 1 67 67 TYR CA C 13 60.62 0.4 . 1 . . . . 67 TYR CA . 17847 1 333 . 1 1 67 67 TYR CB C 13 40.46 0.4 . 1 . . . . 67 TYR CB . 17847 1 334 . 1 1 67 67 TYR N N 15 121.27 0.2 . 1 . . . . 67 TYR N . 17847 1 335 . 1 1 68 68 LEU H H 1 8.08 0.04 . 1 . . . . 68 LEU H . 17847 1 336 . 1 1 68 68 LEU C C 13 176.77 0.4 . 1 . . . . 68 LEU C . 17847 1 337 . 1 1 68 68 LEU CA C 13 55.59 0.4 . 1 . . . . 68 LEU CA . 17847 1 338 . 1 1 68 68 LEU CB C 13 41.09 0.4 . 1 . . . . 68 LEU CB . 17847 1 339 . 1 1 68 68 LEU N N 15 110.94 0.2 . 1 . . . . 68 LEU N . 17847 1 340 . 1 1 69 69 GLU H H 1 6.82 0.04 . 1 . . . . 69 GLU H . 17847 1 341 . 1 1 69 69 GLU C C 13 176.44 0.4 . 1 . . . . 69 GLU C . 17847 1 342 . 1 1 69 69 GLU CA C 13 58.82 0.4 . 1 . . . . 69 GLU CA . 17847 1 343 . 1 1 69 69 GLU CB C 13 30.01 0.4 . 1 . . . . 69 GLU CB . 17847 1 344 . 1 1 69 69 GLU N N 15 118.97 0.2 . 1 . . . . 69 GLU N . 17847 1 345 . 1 1 70 70 ASN H H 1 6.66 0.04 . 1 . . . . 70 ASN H . 17847 1 346 . 1 1 70 70 ASN HD21 H 1 7.03 0.04 . 2 . . . . 70 ASN HD21 . 17847 1 347 . 1 1 70 70 ASN HD22 H 1 8.03 0.04 . 2 . . . . 70 ASN HD22 . 17847 1 348 . 1 1 70 70 ASN CA C 13 52.27 0.4 . 1 . . . . 70 ASN CA . 17847 1 349 . 1 1 70 70 ASN CB C 13 37.68 0.4 . 1 . . . . 70 ASN CB . 17847 1 350 . 1 1 70 70 ASN CG C 13 177.98 0.4 . 1 . . . . 70 ASN CG . 17847 1 351 . 1 1 70 70 ASN N N 15 105.64 0.2 . 1 . . . . 70 ASN N . 17847 1 352 . 1 1 70 70 ASN ND2 N 15 111.91 0.2 . 1 . . . . 70 ASN ND2 . 17847 1 353 . 1 1 71 71 PRO C C 13 178.62 0.4 . 1 . . . . 71 PRO C . 17847 1 354 . 1 1 71 71 PRO CA C 13 67.79 0.4 . 1 . . . . 71 PRO CA . 17847 1 355 . 1 1 71 71 PRO CB C 13 33.70 0.4 . 1 . . . . 71 PRO CB . 17847 1 356 . 1 1 72 72 LYS H H 1 9.34 0.04 . 1 . . . . 72 LYS H . 17847 1 357 . 1 1 72 72 LYS C C 13 178.42 0.4 . 1 . . . . 72 LYS C . 17847 1 358 . 1 1 72 72 LYS CA C 13 59.19 0.4 . 1 . . . . 72 LYS CA . 17847 1 359 . 1 1 72 72 LYS CB C 13 32.80 0.4 . 1 . . . . 72 LYS CB . 17847 1 360 . 1 1 72 72 LYS N N 15 115.54 0.2 . 1 . . . . 72 LYS N . 17847 1 361 . 1 1 73 73 LYS H H 1 7.78 0.04 . 1 . . . . 73 LYS H . 17847 1 362 . 1 1 73 73 LYS C C 13 177.59 0.4 . 1 . . . . 73 LYS C . 17847 1 363 . 1 1 73 73 LYS CA C 13 58.12 0.4 . 1 . . . . 73 LYS CA . 17847 1 364 . 1 1 73 73 LYS CB C 13 33.73 0.4 . 1 . . . . 73 LYS CB . 17847 1 365 . 1 1 73 73 LYS N N 15 119.38 0.2 . 1 . . . . 73 LYS N . 17847 1 366 . 1 1 74 74 TYR H H 1 8.12 0.04 . 1 . . . . 74 TYR H . 17847 1 367 . 1 1 74 74 TYR C C 13 176.45 0.4 . 1 . . . . 74 TYR C . 17847 1 368 . 1 1 74 74 TYR CA C 13 61.76 0.4 . 1 . . . . 74 TYR CA . 17847 1 369 . 1 1 74 74 TYR CB C 13 40.81 0.4 . 1 . . . . 74 TYR CB . 17847 1 370 . 1 1 74 74 TYR N N 15 120.39 0.2 . 1 . . . . 74 TYR N . 17847 1 371 . 1 1 75 75 ILE H H 1 9.41 0.04 . 1 . . . . 75 ILE H . 17847 1 372 . 1 1 75 75 ILE CA C 13 59.56 0.4 . 1 . . . . 75 ILE CA . 17847 1 373 . 1 1 75 75 ILE CB C 13 38.31 0.4 . 1 . . . . 75 ILE CB . 17847 1 374 . 1 1 75 75 ILE N N 15 114.99 0.2 . 1 . . . . 75 ILE N . 17847 1 375 . 1 1 76 76 PRO C C 13 179.20 0.4 . 1 . . . . 76 PRO C . 17847 1 376 . 1 1 76 76 PRO CA C 13 64.67 0.4 . 1 . . . . 76 PRO CA . 17847 1 377 . 1 1 76 76 PRO CB C 13 31.59 0.4 . 1 . . . . 76 PRO CB . 17847 1 378 . 1 1 77 77 GLY H H 1 9.29 0.04 . 1 . . . . 77 GLY H . 17847 1 379 . 1 1 77 77 GLY C C 13 176.23 0.4 . 1 . . . . 77 GLY C . 17847 1 380 . 1 1 77 77 GLY CA C 13 44.90 0.4 . 1 . . . . 77 GLY CA . 17847 1 381 . 1 1 77 77 GLY N N 15 111.48 0.2 . 1 . . . . 77 GLY N . 17847 1 382 . 1 1 78 78 THR H H 1 9.00 0.04 . 1 . . . . 78 THR H . 17847 1 383 . 1 1 78 78 THR C C 13 173.29 0.4 . 1 . . . . 78 THR C . 17847 1 384 . 1 1 78 78 THR CA C 13 61.83 0.4 . 1 . . . . 78 THR CA . 17847 1 385 . 1 1 78 78 THR CB C 13 70.62 0.4 . 1 . . . . 78 THR CB . 17847 1 386 . 1 1 78 78 THR N N 15 115.05 0.2 . 1 . . . . 78 THR N . 17847 1 387 . 1 1 79 79 LYS H H 1 8.24 0.04 . 1 . . . . 79 LYS H . 17847 1 388 . 1 1 79 79 LYS C C 13 174.99 0.4 . 1 . . . . 79 LYS C . 17847 1 389 . 1 1 79 79 LYS CA C 13 55.37 0.4 . 1 . . . . 79 LYS CA . 17847 1 390 . 1 1 79 79 LYS CB C 13 32.24 0.4 . 1 . . . . 79 LYS CB . 17847 1 391 . 1 1 79 79 LYS N N 15 123.58 0.2 . 1 . . . . 79 LYS N . 17847 1 392 . 1 1 80 80 MET H H 1 9.18 0.04 . 1 . . . . 80 MET H . 17847 1 393 . 1 1 80 80 MET C C 13 175.13 0.4 . 1 . . . . 80 MET C . 17847 1 394 . 1 1 80 80 MET CA C 13 64.33 0.4 . 1 . . . . 80 MET CA . 17847 1 395 . 1 1 80 80 MET CB C 13 6.31 0.4 . 1 . . . . 80 MET CB . 17847 1 396 . 1 1 80 80 MET N N 15 122.67 0.2 . 1 . . . . 80 MET N . 17847 1 397 . 1 1 81 81 ILE H H 1 8.49 0.04 . 1 . . . . 81 ILE H . 17847 1 398 . 1 1 81 81 ILE C C 13 175.32 0.4 . 1 . . . . 81 ILE C . 17847 1 399 . 1 1 81 81 ILE CA C 13 60.99 0.4 . 1 . . . . 81 ILE CA . 17847 1 400 . 1 1 81 81 ILE CB C 13 35.71 0.4 . 1 . . . . 81 ILE CB . 17847 1 401 . 1 1 81 81 ILE N N 15 135.13 0.2 . 1 . . . . 81 ILE N . 17847 1 402 . 1 1 82 82 PHE H H 1 8.89 0.04 . 1 . . . . 82 PHE H . 17847 1 403 . 1 1 82 82 PHE C C 13 175.00 0.4 . 1 . . . . 82 PHE C . 17847 1 404 . 1 1 82 82 PHE CA C 13 59.35 0.4 . 1 . . . . 82 PHE CA . 17847 1 405 . 1 1 82 82 PHE CB C 13 41.50 0.4 . 1 . . . . 82 PHE CB . 17847 1 406 . 1 1 82 82 PHE N N 15 126.11 0.2 . 1 . . . . 82 PHE N . 17847 1 407 . 1 1 83 83 ALA H H 1 8.44 0.04 . 1 . . . . 83 ALA H . 17847 1 408 . 1 1 83 83 ALA CA C 13 55.09 0.4 . 1 . . . . 83 ALA CA . 17847 1 409 . 1 1 83 83 ALA CB C 13 19.15 0.4 . 1 . . . . 83 ALA CB . 17847 1 410 . 1 1 83 83 ALA N N 15 130.84 0.2 . 1 . . . . 83 ALA N . 17847 1 411 . 1 1 84 84 GLY C C 13 172.00 0.4 . 1 . . . . 84 GLY C . 17847 1 412 . 1 1 84 84 GLY CA C 13 43.09 0.4 . 1 . . . . 84 GLY CA . 17847 1 413 . 1 1 85 85 ILE H H 1 7.99 0.04 . 1 . . . . 85 ILE H . 17847 1 414 . 1 1 85 85 ILE C C 13 174.95 0.4 . 1 . . . . 85 ILE C . 17847 1 415 . 1 1 85 85 ILE CA C 13 59.28 0.4 . 1 . . . . 85 ILE CA . 17847 1 416 . 1 1 85 85 ILE CB C 13 39.06 0.4 . 1 . . . . 85 ILE CB . 17847 1 417 . 1 1 85 85 ILE N N 15 120.74 0.2 . 1 . . . . 85 ILE N . 17847 1 418 . 1 1 86 86 LYS H H 1 8.38 0.04 . 1 . . . . 86 LYS H . 17847 1 419 . 1 1 86 86 LYS CA C 13 58.55 0.4 . 1 . . . . 86 LYS CA . 17847 1 420 . 1 1 86 86 LYS CB C 13 32.57 0.4 . 1 . . . . 86 LYS CB . 17847 1 421 . 1 1 86 86 LYS N N 15 127.26 0.2 . 1 . . . . 86 LYS N . 17847 1 422 . 1 1 87 87 LYS H H 1 8.19 0.04 . 1 . . . . 87 LYS H . 17847 1 423 . 1 1 87 87 LYS C C 13 177.47 0.4 . 1 . . . . 87 LYS C . 17847 1 424 . 1 1 87 87 LYS CA C 13 57.14 0.4 . 1 . . . . 87 LYS CA . 17847 1 425 . 1 1 87 87 LYS CB C 13 32.89 0.4 . 1 . . . . 87 LYS CB . 17847 1 426 . 1 1 87 87 LYS N N 15 119.98 0.2 . 1 . . . . 87 LYS N . 17847 1 427 . 1 1 88 88 LYS H H 1 8.89 0.04 . 1 . . . . 88 LYS H . 17847 1 428 . 1 1 88 88 LYS C C 13 178.16 0.4 . 1 . . . . 88 LYS C . 17847 1 429 . 1 1 88 88 LYS CA C 13 60.69 0.4 . 1 . . . . 88 LYS CA . 17847 1 430 . 1 1 88 88 LYS CB C 13 32.68 0.4 . 1 . . . . 88 LYS CB . 17847 1 431 . 1 1 88 88 LYS N N 15 129.03 0.2 . 1 . . . . 88 LYS N . 17847 1 432 . 1 1 89 89 THR H H 1 8.13 0.04 . 1 . . . . 89 THR H . 17847 1 433 . 1 1 89 89 THR C C 13 175.93 0.4 . 1 . . . . 89 THR C . 17847 1 434 . 1 1 89 89 THR CA C 13 65.00 0.4 . 1 . . . . 89 THR CA . 17847 1 435 . 1 1 89 89 THR CB C 13 67.91 0.4 . 1 . . . . 89 THR CB . 17847 1 436 . 1 1 89 89 THR N N 15 109.87 0.2 . 1 . . . . 89 THR N . 17847 1 437 . 1 1 90 90 GLU H H 1 6.10 0.04 . 1 . . . . 90 GLU H . 17847 1 438 . 1 1 90 90 GLU C C 13 178.57 0.4 . 1 . . . . 90 GLU C . 17847 1 439 . 1 1 90 90 GLU CA C 13 58.54 0.4 . 1 . . . . 90 GLU CA . 17847 1 440 . 1 1 90 90 GLU CB C 13 30.06 0.4 . 1 . . . . 90 GLU CB . 17847 1 441 . 1 1 90 90 GLU N N 15 118.86 0.2 . 1 . . . . 90 GLU N . 17847 1 442 . 1 1 91 91 ARG H H 1 7.13 0.04 . 1 . . . . 91 ARG H . 17847 1 443 . 1 1 91 91 ARG C C 13 177.43 0.4 . 1 . . . . 91 ARG C . 17847 1 444 . 1 1 91 91 ARG CA C 13 61.31 0.4 . 1 . . . . 91 ARG CA . 17847 1 445 . 1 1 91 91 ARG CB C 13 31.09 0.4 . 1 . . . . 91 ARG CB . 17847 1 446 . 1 1 91 91 ARG N N 15 117.00 0.2 . 1 . . . . 91 ARG N . 17847 1 447 . 1 1 92 92 GLU H H 1 8.28 0.04 . 1 . . . . 92 GLU H . 17847 1 448 . 1 1 92 92 GLU C C 13 179.96 0.4 . 1 . . . . 92 GLU C . 17847 1 449 . 1 1 92 92 GLU CA C 13 59.80 0.4 . 1 . . . . 92 GLU CA . 17847 1 450 . 1 1 92 92 GLU CB C 13 29.64 0.4 . 1 . . . . 92 GLU CB . 17847 1 451 . 1 1 92 92 GLU N N 15 117.71 0.2 . 1 . . . . 92 GLU N . 17847 1 452 . 1 1 93 93 ASP H H 1 8.19 0.04 . 1 . . . . 93 ASP H . 17847 1 453 . 1 1 93 93 ASP C C 13 177.58 0.4 . 1 . . . . 93 ASP C . 17847 1 454 . 1 1 93 93 ASP CA C 13 58.16 0.4 . 1 . . . . 93 ASP CA . 17847 1 455 . 1 1 93 93 ASP CB C 13 39.52 0.4 . 1 . . . . 93 ASP CB . 17847 1 456 . 1 1 93 93 ASP N N 15 122.68 0.2 . 1 . . . . 93 ASP N . 17847 1 457 . 1 1 94 94 LEU H H 1 7.95 0.04 . 1 . . . . 94 LEU H . 17847 1 458 . 1 1 94 94 LEU C C 13 178.24 0.4 . 1 . . . . 94 LEU C . 17847 1 459 . 1 1 94 94 LEU CA C 13 58.06 0.4 . 1 . . . . 94 LEU CA . 17847 1 460 . 1 1 94 94 LEU CB C 13 41.11 0.4 . 1 . . . . 94 LEU CB . 17847 1 461 . 1 1 94 94 LEU N N 15 120.72 0.2 . 1 . . . . 94 LEU N . 17847 1 462 . 1 1 95 95 ILE H H 1 8.42 0.04 . 1 . . . . 95 ILE H . 17847 1 463 . 1 1 95 95 ILE C C 13 176.18 0.4 . 1 . . . . 95 ILE C . 17847 1 464 . 1 1 95 95 ILE CA C 13 66.28 0.4 . 1 . . . . 95 ILE CA . 17847 1 465 . 1 1 95 95 ILE CB C 13 37.41 0.4 . 1 . . . . 95 ILE CB . 17847 1 466 . 1 1 95 95 ILE N N 15 119.45 0.2 . 1 . . . . 95 ILE N . 17847 1 467 . 1 1 96 96 ALA H H 1 7.79 0.04 . 1 . . . . 96 ALA H . 17847 1 468 . 1 1 96 96 ALA C C 13 180.73 0.4 . 1 . . . . 96 ALA C . 17847 1 469 . 1 1 96 96 ALA CA C 13 55.06 0.4 . 1 . . . . 96 ALA CA . 17847 1 470 . 1 1 96 96 ALA CB C 13 17.27 0.4 . 1 . . . . 96 ALA CB . 17847 1 471 . 1 1 96 96 ALA N N 15 122.84 0.2 . 1 . . . . 96 ALA N . 17847 1 472 . 1 1 97 97 TYR H H 1 7.93 0.04 . 1 . . . . 97 TYR H . 17847 1 473 . 1 1 97 97 TYR C C 13 176.32 0.4 . 1 . . . . 97 TYR C . 17847 1 474 . 1 1 97 97 TYR CA C 13 61.64 0.4 . 1 . . . . 97 TYR CA . 17847 1 475 . 1 1 97 97 TYR CB C 13 37.30 0.4 . 1 . . . . 97 TYR CB . 17847 1 476 . 1 1 97 97 TYR N N 15 117.85 0.2 . 1 . . . . 97 TYR N . 17847 1 477 . 1 1 98 98 LEU H H 1 8.74 0.04 . 1 . . . . 98 LEU H . 17847 1 478 . 1 1 98 98 LEU C C 13 179.21 0.4 . 1 . . . . 98 LEU C . 17847 1 479 . 1 1 98 98 LEU CA C 13 57.66 0.4 . 1 . . . . 98 LEU CA . 17847 1 480 . 1 1 98 98 LEU CB C 13 41.65 0.4 . 1 . . . . 98 LEU CB . 17847 1 481 . 1 1 98 98 LEU N N 15 118.85 0.2 . 1 . . . . 98 LEU N . 17847 1 482 . 1 1 99 99 LYS H H 1 8.83 0.04 . 1 . . . . 99 LYS H . 17847 1 483 . 1 1 99 99 LYS C C 13 176.80 0.4 . 1 . . . . 99 LYS C . 17847 1 484 . 1 1 99 99 LYS CA C 13 59.34 0.4 . 1 . . . . 99 LYS CA . 17847 1 485 . 1 1 99 99 LYS CB C 13 32.01 0.4 . 1 . . . . 99 LYS CB . 17847 1 486 . 1 1 99 99 LYS N N 15 123.79 0.2 . 1 . . . . 99 LYS N . 17847 1 487 . 1 1 100 100 LYS H H 1 6.74 0.04 . 1 . . . . 100 LYS H . 17847 1 488 . 1 1 100 100 LYS C C 13 178.77 0.4 . 1 . . . . 100 LYS C . 17847 1 489 . 1 1 100 100 LYS CA C 13 58.08 0.4 . 1 . . . . 100 LYS CA . 17847 1 490 . 1 1 100 100 LYS CB C 13 33.49 0.4 . 1 . . . . 100 LYS CB . 17847 1 491 . 1 1 100 100 LYS N N 15 116.99 0.2 . 1 . . . . 100 LYS N . 17847 1 492 . 1 1 101 101 ALA H H 1 8.62 0.04 . 1 . . . . 101 ALA H . 17847 1 493 . 1 1 101 101 ALA C C 13 180.01 0.4 . 1 . . . . 101 ALA C . 17847 1 494 . 1 1 101 101 ALA CA C 13 54.83 0.4 . 1 . . . . 101 ALA CA . 17847 1 495 . 1 1 101 101 ALA CB C 13 18.97 0.4 . 1 . . . . 101 ALA CB . 17847 1 496 . 1 1 101 101 ALA N N 15 119.54 0.2 . 1 . . . . 101 ALA N . 17847 1 497 . 1 1 102 102 THR H H 1 7.96 0.04 . 1 . . . . 102 THR H . 17847 1 498 . 1 1 102 102 THR C C 13 173.46 0.4 . 1 . . . . 102 THR C . 17847 1 499 . 1 1 102 102 THR CA C 13 62.52 0.4 . 1 . . . . 102 THR CA . 17847 1 500 . 1 1 102 102 THR CB C 13 69.74 0.4 . 1 . . . . 102 THR CB . 17847 1 501 . 1 1 102 102 THR N N 15 102.10 0.2 . 1 . . . . 102 THR N . 17847 1 502 . 1 1 103 103 ASN H H 1 7.12 0.04 . 1 . . . . 103 ASN H . 17847 1 503 . 1 1 103 103 ASN HD21 H 1 6.42 0.04 . 2 . . . . 103 ASN HD21 . 17847 1 504 . 1 1 103 103 ASN HD22 H 1 7.91 0.04 . 2 . . . . 103 ASN HD22 . 17847 1 505 . 1 1 103 103 ASN C C 13 174.10 0.4 . 1 . . . . 103 ASN C . 17847 1 506 . 1 1 103 103 ASN CA C 13 52.85 0.4 . 1 . . . . 103 ASN CA . 17847 1 507 . 1 1 103 103 ASN CB C 13 41.68 0.4 . 1 . . . . 103 ASN CB . 17847 1 508 . 1 1 103 103 ASN CG C 13 177.72 0.4 . 1 . . . . 103 ASN CG . 17847 1 509 . 1 1 103 103 ASN N N 15 118.67 0.2 . 1 . . . . 103 ASN N . 17847 1 510 . 1 1 103 103 ASN ND2 N 15 114.31 0.2 . 1 . . . . 103 ASN ND2 . 17847 1 511 . 1 1 104 104 GLU H H 1 7.38 0.04 . 1 . . . . 104 GLU H . 17847 1 512 . 1 1 104 104 GLU CA C 13 58.14 0.4 . 1 . . . . 104 GLU CA . 17847 1 513 . 1 1 104 104 GLU CB C 13 31.30 0.4 . 1 . . . . 104 GLU CB . 17847 1 514 . 1 1 104 104 GLU N N 15 125.02 0.2 . 1 . . . . 104 GLU N . 17847 1 stop_ save_ ################################### # 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_hCc_ox_low_salt _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hCc_ox_low_salt _Assigned_chem_shift_list.Entry_ID 17847 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 5 '2D 1H-15N HSQC' . . . 17847 2 6 '3D NOESY-HSQC' . . . 17847 2 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.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 H H 1 9.47 0.04 . 1 . . . . 2 ASP H . 17847 2 2 . 1 1 2 2 ASP N N 15 125.17 0.2 . 1 . . . . 2 ASP N . 17847 2 3 . 1 1 3 3 VAL H H 1 8.56 0.04 . 1 . . . . 3 VAL H . 17847 2 4 . 1 1 3 3 VAL N N 15 124.06 0.2 . 1 . . . . 3 VAL N . 17847 2 5 . 1 1 4 4 GLU H H 1 8.08 0.04 . 1 . . . . 4 GLU H . 17847 2 6 . 1 1 4 4 GLU N N 15 120.39 0.2 . 1 . . . . 4 GLU N . 17847 2 7 . 1 1 5 5 LYS H H 1 8.03 0.04 . 1 . . . . 5 LYS H . 17847 2 8 . 1 1 5 5 LYS N N 15 121.13 0.2 . 1 . . . . 5 LYS N . 17847 2 9 . 1 1 6 6 GLY H H 1 8.60 0.04 . 1 . . . . 6 GLY H . 17847 2 10 . 1 1 6 6 GLY N N 15 107.24 0.2 . 1 . . . . 6 GLY N . 17847 2 11 . 1 1 7 7 LYS H H 1 7.99 0.04 . 1 . . . . 7 LYS H . 17847 2 12 . 1 1 7 7 LYS N N 15 124.16 0.2 . 1 . . . . 7 LYS N . 17847 2 13 . 1 1 8 8 LYS H H 1 6.92 0.04 . 1 . . . . 8 LYS H . 17847 2 14 . 1 1 8 8 LYS N N 15 117.11 0.2 . 1 . . . . 8 LYS N . 17847 2 15 . 1 1 9 9 ILE H H 1 7.51 0.04 . 1 . . . . 9 ILE H . 17847 2 16 . 1 1 9 9 ILE N N 15 119.08 0.2 . 1 . . . . 9 ILE N . 17847 2 17 . 1 1 10 10 PHE H H 1 8.39 0.04 . 1 . . . . 10 PHE H . 17847 2 18 . 1 1 10 10 PHE N N 15 120.95 0.2 . 1 . . . . 10 PHE N . 17847 2 19 . 1 1 11 11 VAL H H 1 8.86 0.04 . 1 . . . . 11 VAL H . 17847 2 20 . 1 1 11 11 VAL N N 15 121.48 0.2 . 1 . . . . 11 VAL N . 17847 2 21 . 1 1 12 12 GLN H H 1 7.81 0.04 . 1 . . . . 12 GLN H . 17847 2 22 . 1 1 12 12 GLN HE21 H 1 6.74 0.04 . 2 . . . . 12 GLN HE21 . 17847 2 23 . 1 1 12 12 GLN HE22 H 1 7.34 0.04 . 2 . . . . 12 GLN HE22 . 17847 2 24 . 1 1 12 12 GLN N N 15 117.42 0.2 . 1 . . . . 12 GLN N . 17847 2 25 . 1 1 12 12 GLN NE2 N 15 111.18 0.2 . 1 . . . . 12 GLN NE2 . 17847 2 26 . 1 1 13 13 LYS H H 1 8.46 0.04 . 1 . . . . 13 LYS H . 17847 2 27 . 1 1 13 13 LYS N N 15 112.57 0.2 . 1 . . . . 13 LYS N . 17847 2 28 . 1 1 14 14 CYS H H 1 8.09 0.04 . 1 . . . . 14 CYS H . 17847 2 29 . 1 1 14 14 CYS N N 15 115.05 0.2 . 1 . . . . 14 CYS N . 17847 2 30 . 1 1 15 15 ALA H H 1 8.07 0.04 . 1 . . . . 15 ALA H . 17847 2 31 . 1 1 15 15 ALA N N 15 123.36 0.2 . 1 . . . . 15 ALA N . 17847 2 32 . 1 1 16 16 GLN H H 1 9.86 0.04 . 1 . . . . 16 GLN H . 17847 2 33 . 1 1 16 16 GLN HE21 H 1 6.90 0.04 . 2 . . . . 16 GLN HE21 . 17847 2 34 . 1 1 16 16 GLN HE22 H 1 7.59 0.04 . 2 . . . . 16 GLN HE22 . 17847 2 35 . 1 1 16 16 GLN N N 15 117.43 0.2 . 1 . . . . 16 GLN N . 17847 2 36 . 1 1 16 16 GLN NE2 N 15 111.58 0.2 . 1 . . . . 16 GLN NE2 . 17847 2 37 . 1 1 17 17 CYS H H 1 9.52 0.04 . 1 . . . . 17 CYS H . 17847 2 38 . 1 1 17 17 CYS N N 15 114.20 0.2 . 1 . . . . 17 CYS N . 17847 2 39 . 1 1 18 18 HIS H H 1 10.77 0.04 . 1 . . . . 18 HIS H . 17847 2 40 . 1 1 18 18 HIS N N 15 118.44 0.2 . 1 . . . . 18 HIS N . 17847 2 41 . 1 1 19 19 THR H H 1 10.54 0.04 . 1 . . . . 19 THR H . 17847 2 42 . 1 1 19 19 THR N N 15 113.81 0.2 . 1 . . . . 19 THR N . 17847 2 43 . 1 1 20 20 VAL H H 1 8.83 0.04 . 1 . . . . 20 VAL H . 17847 2 44 . 1 1 20 20 VAL N N 15 111.70 0.2 . 1 . . . . 20 VAL N . 17847 2 45 . 1 1 22 22 LYS H H 1 9.08 0.04 . 1 . . . . 22 LYS H . 17847 2 46 . 1 1 22 22 LYS N N 15 126.70 0.2 . 1 . . . . 22 LYS N . 17847 2 47 . 1 1 23 23 GLY H H 1 9.36 0.04 . 1 . . . . 23 GLY H . 17847 2 48 . 1 1 23 23 GLY N N 15 117.61 0.2 . 1 . . . . 23 GLY N . 17847 2 49 . 1 1 24 24 GLY H H 1 8.20 0.04 . 1 . . . . 24 GLY H . 17847 2 50 . 1 1 24 24 GLY N N 15 107.77 0.2 . 1 . . . . 24 GLY N . 17847 2 51 . 1 1 25 25 LYS H H 1 8.77 0.04 . 1 . . . . 25 LYS H . 17847 2 52 . 1 1 25 25 LYS N N 15 119.03 0.2 . 1 . . . . 25 LYS N . 17847 2 53 . 1 1 26 26 HIS H H 1 8.80 0.04 . 1 . . . . 26 HIS H . 17847 2 54 . 1 1 26 26 HIS N N 15 122.13 0.2 . 1 . . . . 26 HIS N . 17847 2 55 . 1 1 27 27 LYS H H 1 8.16 0.04 . 1 . . . . 27 LYS H . 17847 2 56 . 1 1 27 27 LYS N N 15 126.15 0.2 . 1 . . . . 27 LYS N . 17847 2 57 . 1 1 29 29 GLY H H 1 6.96 0.04 . 1 . . . . 29 GLY H . 17847 2 58 . 1 1 29 29 GLY N N 15 99.85 0.2 . 1 . . . . 29 GLY N . 17847 2 59 . 1 1 31 31 ASN H H 1 11.55 0.04 . 1 . . . . 31 ASN H . 17847 2 60 . 1 1 31 31 ASN HD21 H 1 8.08 0.04 . 2 . . . . 31 ASN HD21 . 17847 2 61 . 1 1 31 31 ASN HD22 H 1 8.93 0.04 . 2 . . . . 31 ASN HD22 . 17847 2 62 . 1 1 31 31 ASN N N 15 127.24 0.2 . 1 . . . . 31 ASN N . 17847 2 63 . 1 1 31 31 ASN ND2 N 15 115.45 0.2 . 1 . . . . 31 ASN ND2 . 17847 2 64 . 1 1 32 32 LEU H H 1 9.52 0.04 . 1 . . . . 32 LEU H . 17847 2 65 . 1 1 32 32 LEU N N 15 122.08 0.2 . 1 . . . . 32 LEU N . 17847 2 66 . 1 1 33 33 HIS H H 1 8.15 0.04 . 1 . . . . 33 HIS H . 17847 2 67 . 1 1 33 33 HIS N N 15 120.03 0.2 . 1 . . . . 33 HIS N . 17847 2 68 . 1 1 34 34 GLY H H 1 9.01 0.04 . 1 . . . . 34 GLY H . 17847 2 69 . 1 1 34 34 GLY N N 15 115.13 0.2 . 1 . . . . 34 GLY N . 17847 2 70 . 1 1 35 35 LEU H H 1 7.09 0.04 . 1 . . . . 35 LEU H . 17847 2 71 . 1 1 35 35 LEU N N 15 117.37 0.2 . 1 . . . . 35 LEU N . 17847 2 72 . 1 1 36 36 PHE H H 1 8.61 0.04 . 1 . . . . 36 PHE H . 17847 2 73 . 1 1 36 36 PHE N N 15 112.41 0.2 . 1 . . . . 36 PHE N . 17847 2 74 . 1 1 37 37 GLY H H 1 9.28 0.04 . 1 . . . . 37 GLY H . 17847 2 75 . 1 1 37 37 GLY N N 15 111.52 0.2 . 1 . . . . 37 GLY N . 17847 2 76 . 1 1 38 38 ARG H H 1 8.18 0.04 . 1 . . . . 38 ARG H . 17847 2 77 . 1 1 38 38 ARG N N 15 123.86 0.2 . 1 . . . . 38 ARG N . 17847 2 78 . 1 1 39 39 LYS H H 1 8.06 0.04 . 1 . . . . 39 LYS H . 17847 2 79 . 1 1 39 39 LYS N N 15 121.31 0.2 . 1 . . . . 39 LYS N . 17847 2 80 . 1 1 40 40 THR H H 1 7.54 0.04 . 1 . . . . 40 THR H . 17847 2 81 . 1 1 40 40 THR N N 15 109.21 0.2 . 1 . . . . 40 THR N . 17847 2 82 . 1 1 41 41 GLY H H 1 9.16 0.04 . 1 . . . . 41 GLY H . 17847 2 83 . 1 1 41 41 GLY N N 15 109.71 0.2 . 1 . . . . 41 GLY N . 17847 2 84 . 1 1 42 42 GLN H H 1 7.71 0.04 . 1 . . . . 42 GLN H . 17847 2 85 . 1 1 42 42 GLN HE21 H 1 6.85 0.04 . 2 . . . . 42 GLN HE21 . 17847 2 86 . 1 1 42 42 GLN HE22 H 1 7.41 0.04 . 2 . . . . 42 GLN HE22 . 17847 2 87 . 1 1 42 42 GLN N N 15 113.16 0.2 . 1 . . . . 42 GLN N . 17847 2 88 . 1 1 42 42 GLN NE2 N 15 113.69 0.2 . 1 . . . . 42 GLN NE2 . 17847 2 89 . 1 1 43 43 ALA H H 1 8.05 0.04 . 1 . . . . 43 ALA H . 17847 2 90 . 1 1 43 43 ALA N N 15 125.54 0.2 . 1 . . . . 43 ALA N . 17847 2 91 . 1 1 45 45 GLY H H 1 8.94 0.04 . 1 . . . . 45 GLY H . 17847 2 92 . 1 1 45 45 GLY N N 15 111.73 0.2 . 1 . . . . 45 GLY N . 17847 2 93 . 1 1 46 46 PHE H H 1 6.86 0.04 . 1 . . . . 46 PHE H . 17847 2 94 . 1 1 46 46 PHE N N 15 119.75 0.2 . 1 . . . . 46 PHE N . 17847 2 95 . 1 1 47 47 THR H H 1 6.70 0.04 . 1 . . . . 47 THR H . 17847 2 96 . 1 1 47 47 THR N N 15 123.66 0.2 . 1 . . . . 47 THR N . 17847 2 97 . 1 1 48 48 TYR H H 1 7.97 0.04 . 1 . . . . 48 TYR H . 17847 2 98 . 1 1 48 48 TYR N N 15 126.65 0.2 . 1 . . . . 48 TYR N . 17847 2 99 . 1 1 49 49 THR H H 1 9.64 0.04 . 1 . . . . 49 THR H . 17847 2 100 . 1 1 49 49 THR N N 15 112.63 0.2 . 1 . . . . 49 THR N . 17847 2 101 . 1 1 50 50 ASP H H 1 8.83 0.04 . 1 . . . . 50 ASP H . 17847 2 102 . 1 1 50 50 ASP N N 15 122.77 0.2 . 1 . . . . 50 ASP N . 17847 2 103 . 1 1 51 51 ALA H H 1 8.04 0.04 . 1 . . . . 51 ALA H . 17847 2 104 . 1 1 51 51 ALA N N 15 119.80 0.2 . 1 . . . . 51 ALA N . 17847 2 105 . 1 1 52 52 ASN H H 1 8.55 0.04 . 1 . . . . 52 ASN H . 17847 2 106 . 1 1 52 52 ASN HD21 H 1 7.32 0.04 . 2 . . . . 52 ASN HD21 . 17847 2 107 . 1 1 52 52 ASN HD22 H 1 7.82 0.04 . 2 . . . . 52 ASN HD22 . 17847 2 108 . 1 1 52 52 ASN N N 15 117.23 0.2 . 1 . . . . 52 ASN N . 17847 2 109 . 1 1 52 52 ASN ND2 N 15 109.90 0.2 . 1 . . . . 52 ASN ND2 . 17847 2 110 . 1 1 53 53 LYS H H 1 8.62 0.04 . 1 . . . . 53 LYS H . 17847 2 111 . 1 1 53 53 LYS N N 15 121.38 0.2 . 1 . . . . 53 LYS N . 17847 2 112 . 1 1 54 54 ASN H H 1 8.18 0.04 . 1 . . . . 54 ASN H . 17847 2 113 . 1 1 54 54 ASN HD21 H 1 6.98 0.04 . 2 . . . . 54 ASN HD21 . 17847 2 114 . 1 1 54 54 ASN HD22 H 1 7.43 0.04 . 2 . . . . 54 ASN HD22 . 17847 2 115 . 1 1 54 54 ASN N N 15 112.87 0.2 . 1 . . . . 54 ASN N . 17847 2 116 . 1 1 54 54 ASN ND2 N 15 112.34 0.2 . 1 . . . . 54 ASN ND2 . 17847 2 117 . 1 1 55 55 LYS H H 1 7.02 0.04 . 1 . . . . 55 LYS H . 17847 2 118 . 1 1 55 55 LYS N N 15 121.59 0.2 . 1 . . . . 55 LYS N . 17847 2 119 . 1 1 56 56 GLY H H 1 7.81 0.04 . 1 . . . . 56 GLY H . 17847 2 120 . 1 1 56 56 GLY N N 15 103.08 0.2 . 1 . . . . 56 GLY N . 17847 2 121 . 1 1 57 57 ILE H H 1 6.54 0.04 . 1 . . . . 57 ILE H . 17847 2 122 . 1 1 57 57 ILE N N 15 111.38 0.2 . 1 . . . . 57 ILE N . 17847 2 123 . 1 1 58 58 THR H H 1 8.21 0.04 . 1 . . . . 58 THR H . 17847 2 124 . 1 1 58 58 THR N N 15 116.23 0.2 . 1 . . . . 58 THR N . 17847 2 125 . 1 1 59 59 TRP H H 1 8.74 0.04 . 1 . . . . 59 TRP H . 17847 2 126 . 1 1 59 59 TRP N N 15 129.26 0.2 . 1 . . . . 59 TRP N . 17847 2 127 . 1 1 60 60 LYS H H 1 7.99 0.04 . 1 . . . . 60 LYS H . 17847 2 128 . 1 1 60 60 LYS N N 15 120.18 0.2 . 1 . . . . 60 LYS N . 17847 2 129 . 1 1 61 61 GLU H H 1 10.55 0.04 . 1 . . . . 61 GLU H . 17847 2 130 . 1 1 61 61 GLU N N 15 123.03 0.2 . 1 . . . . 61 GLU N . 17847 2 131 . 1 1 62 62 GLU H H 1 9.58 0.04 . 1 . . . . 62 GLU H . 17847 2 132 . 1 1 62 62 GLU N N 15 114.65 0.2 . 1 . . . . 62 GLU N . 17847 2 133 . 1 1 63 63 THR H H 1 7.04 0.04 . 1 . . . . 63 THR H . 17847 2 134 . 1 1 63 63 THR N N 15 108.48 0.2 . 1 . . . . 63 THR N . 17847 2 135 . 1 1 64 64 LEU H H 1 8.50 0.04 . 1 . . . . 64 LEU H . 17847 2 136 . 1 1 64 64 LEU N N 15 122.18 0.2 . 1 . . . . 64 LEU N . 17847 2 137 . 1 1 65 65 MET H H 1 8.22 0.04 . 1 . . . . 65 MET H . 17847 2 138 . 1 1 65 65 MET N N 15 118.45 0.2 . 1 . . . . 65 MET N . 17847 2 139 . 1 1 66 66 GLU H H 1 6.63 0.04 . 1 . . . . 66 GLU H . 17847 2 140 . 1 1 66 66 GLU N N 15 117.69 0.2 . 1 . . . . 66 GLU N . 17847 2 141 . 1 1 67 67 TYR H H 1 8.06 0.04 . 1 . . . . 67 TYR H . 17847 2 142 . 1 1 67 67 TYR N N 15 121.29 0.2 . 1 . . . . 67 TYR N . 17847 2 143 . 1 1 68 68 LEU H H 1 8.07 0.04 . 1 . . . . 68 LEU H . 17847 2 144 . 1 1 68 68 LEU N N 15 111.02 0.2 . 1 . . . . 68 LEU N . 17847 2 145 . 1 1 69 69 GLU H H 1 6.81 0.04 . 1 . . . . 69 GLU H . 17847 2 146 . 1 1 69 69 GLU N N 15 119.01 0.2 . 1 . . . . 69 GLU N . 17847 2 147 . 1 1 70 70 ASN H H 1 6.65 0.04 . 1 . . . . 70 ASN H . 17847 2 148 . 1 1 70 70 ASN HD21 H 1 7.00 0.04 . 2 . . . . 70 ASN HD21 . 17847 2 149 . 1 1 70 70 ASN HD22 H 1 8.00 0.04 . 2 . . . . 70 ASN HD22 . 17847 2 150 . 1 1 70 70 ASN N N 15 105.63 0.2 . 1 . . . . 70 ASN N . 17847 2 151 . 1 1 70 70 ASN ND2 N 15 112.03 0.2 . 1 . . . . 70 ASN ND2 . 17847 2 152 . 1 1 72 72 LYS H H 1 9.34 0.04 . 1 . . . . 72 LYS H . 17847 2 153 . 1 1 72 72 LYS N N 15 115.61 0.2 . 1 . . . . 72 LYS N . 17847 2 154 . 1 1 73 73 LYS H H 1 7.78 0.04 . 1 . . . . 73 LYS H . 17847 2 155 . 1 1 73 73 LYS N N 15 119.46 0.2 . 1 . . . . 73 LYS N . 17847 2 156 . 1 1 74 74 TYR H H 1 8.11 0.04 . 1 . . . . 74 TYR H . 17847 2 157 . 1 1 74 74 TYR N N 15 120.47 0.2 . 1 . . . . 74 TYR N . 17847 2 158 . 1 1 75 75 ILE H H 1 9.41 0.04 . 1 . . . . 75 ILE H . 17847 2 159 . 1 1 75 75 ILE N N 15 115.07 0.2 . 1 . . . . 75 ILE N . 17847 2 160 . 1 1 77 77 GLY H H 1 9.28 0.04 . 1 . . . . 77 GLY H . 17847 2 161 . 1 1 77 77 GLY N N 15 111.52 0.2 . 1 . . . . 77 GLY N . 17847 2 162 . 1 1 78 78 THR H H 1 9.00 0.04 . 1 . . . . 78 THR H . 17847 2 163 . 1 1 78 78 THR N N 15 115.13 0.2 . 1 . . . . 78 THR N . 17847 2 164 . 1 1 79 79 LYS H H 1 8.23 0.04 . 1 . . . . 79 LYS H . 17847 2 165 . 1 1 79 79 LYS N N 15 123.64 0.2 . 1 . . . . 79 LYS N . 17847 2 166 . 1 1 80 80 MET H H 1 9.17 0.04 . 1 . . . . 80 MET H . 17847 2 167 . 1 1 80 80 MET N N 15 122.76 0.2 . 1 . . . . 80 MET N . 17847 2 168 . 1 1 81 81 ILE H H 1 8.49 0.04 . 1 . . . . 81 ILE H . 17847 2 169 . 1 1 81 81 ILE N N 15 135.23 0.2 . 1 . . . . 81 ILE N . 17847 2 170 . 1 1 82 82 PHE H H 1 8.88 0.04 . 1 . . . . 82 PHE H . 17847 2 171 . 1 1 82 82 PHE N N 15 126.23 0.2 . 1 . . . . 82 PHE N . 17847 2 172 . 1 1 83 83 ALA H H 1 8.41 0.04 . 1 . . . . 83 ALA H . 17847 2 173 . 1 1 83 83 ALA N N 15 130.92 0.2 . 1 . . . . 83 ALA N . 17847 2 174 . 1 1 85 85 ILE H H 1 7.97 0.04 . 1 . . . . 85 ILE H . 17847 2 175 . 1 1 85 85 ILE N N 15 120.78 0.2 . 1 . . . . 85 ILE N . 17847 2 176 . 1 1 86 86 LYS H H 1 8.37 0.04 . 1 . . . . 86 LYS H . 17847 2 177 . 1 1 86 86 LYS N N 15 127.58 0.2 . 1 . . . . 86 LYS N . 17847 2 178 . 1 1 87 87 LYS H H 1 8.18 0.04 . 1 . . . . 87 LYS H . 17847 2 179 . 1 1 87 87 LYS N N 15 120.11 0.2 . 1 . . . . 87 LYS N . 17847 2 180 . 1 1 88 88 LYS H H 1 8.72 0.04 . 1 . . . . 88 LYS H . 17847 2 181 . 1 1 88 88 LYS N N 15 129.50 0.2 . 1 . . . . 88 LYS N . 17847 2 182 . 1 1 89 89 THR H H 1 8.24 0.04 . 1 . . . . 89 THR H . 17847 2 183 . 1 1 89 89 THR N N 15 110.03 0.2 . 1 . . . . 89 THR N . 17847 2 184 . 1 1 90 90 GLU H H 1 6.11 0.04 . 1 . . . . 90 GLU H . 17847 2 185 . 1 1 90 90 GLU N N 15 119.01 0.2 . 1 . . . . 90 GLU N . 17847 2 186 . 1 1 91 91 ARG H H 1 7.14 0.04 . 1 . . . . 91 ARG H . 17847 2 187 . 1 1 91 91 ARG N N 15 117.05 0.2 . 1 . . . . 91 ARG N . 17847 2 188 . 1 1 92 92 GLU H H 1 8.27 0.04 . 1 . . . . 92 GLU H . 17847 2 189 . 1 1 92 92 GLU N N 15 117.80 0.2 . 1 . . . . 92 GLU N . 17847 2 190 . 1 1 93 93 ASP H H 1 8.20 0.04 . 1 . . . . 93 ASP H . 17847 2 191 . 1 1 93 93 ASP N N 15 122.78 0.2 . 1 . . . . 93 ASP N . 17847 2 192 . 1 1 94 94 LEU H H 1 7.96 0.04 . 1 . . . . 94 LEU H . 17847 2 193 . 1 1 94 94 LEU N N 15 120.79 0.2 . 1 . . . . 94 LEU N . 17847 2 194 . 1 1 95 95 ILE H H 1 8.41 0.04 . 1 . . . . 95 ILE H . 17847 2 195 . 1 1 95 95 ILE N N 15 119.52 0.2 . 1 . . . . 95 ILE N . 17847 2 196 . 1 1 96 96 ALA H H 1 7.79 0.04 . 1 . . . . 96 ALA H . 17847 2 197 . 1 1 96 96 ALA N N 15 122.89 0.2 . 1 . . . . 96 ALA N . 17847 2 198 . 1 1 97 97 TYR H H 1 7.93 0.04 . 1 . . . . 97 TYR H . 17847 2 199 . 1 1 97 97 TYR N N 15 117.92 0.2 . 1 . . . . 97 TYR N . 17847 2 200 . 1 1 98 98 LEU H H 1 8.74 0.04 . 1 . . . . 98 LEU H . 17847 2 201 . 1 1 98 98 LEU N N 15 118.89 0.2 . 1 . . . . 98 LEU N . 17847 2 202 . 1 1 99 99 LYS H H 1 8.83 0.04 . 1 . . . . 99 LYS H . 17847 2 203 . 1 1 99 99 LYS N N 15 123.83 0.2 . 1 . . . . 99 LYS N . 17847 2 204 . 1 1 100 100 LYS H H 1 6.74 0.04 . 1 . . . . 100 LYS H . 17847 2 205 . 1 1 100 100 LYS N N 15 117.03 0.2 . 1 . . . . 100 LYS N . 17847 2 206 . 1 1 101 101 ALA H H 1 8.62 0.04 . 1 . . . . 101 ALA H . 17847 2 207 . 1 1 101 101 ALA N N 15 119.59 0.2 . 1 . . . . 101 ALA N . 17847 2 208 . 1 1 102 102 THR H H 1 7.94 0.04 . 1 . . . . 102 THR H . 17847 2 209 . 1 1 102 102 THR N N 15 102.12 0.2 . 1 . . . . 102 THR N . 17847 2 210 . 1 1 103 103 ASN H H 1 7.12 0.04 . 1 . . . . 103 ASN H . 17847 2 211 . 1 1 103 103 ASN HD21 H 1 6.42 0.04 . 2 . . . . 103 ASN HD21 . 17847 2 212 . 1 1 103 103 ASN HD22 H 1 7.90 0.04 . 2 . . . . 103 ASN HD22 . 17847 2 213 . 1 1 103 103 ASN N N 15 118.66 0.2 . 1 . . . . 103 ASN N . 17847 2 214 . 1 1 103 103 ASN ND2 N 15 114.26 0.2 . 1 . . . . 103 ASN ND2 . 17847 2 215 . 1 1 104 104 GLU H H 1 7.38 0.04 . 1 . . . . 104 GLU H . 17847 2 216 . 1 1 104 104 GLU N N 15 125.07 0.2 . 1 . . . . 104 GLU N . 17847 2 stop_ save_