################################### # 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 15077 _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 HNCA' . . . 15077 1 2 '2D 1H-15N HSQC' . . . 15077 1 3 '3D 1H-15N NOESY' . . . 15077 1 4 '3D CBCA(CO)NH' . . . 15077 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 2 2 SER H H 1 8.83 0.02 . 1 . . . . 2 SER H . 15077 1 2 . 1 1 2 2 SER CA C 13 58.25 0.05 . 1 . . . . 2 SER CA . 15077 1 3 . 1 1 2 2 SER CB C 13 64.14 0.05 . 1 . . . . 2 SER CB . 15077 1 4 . 1 1 2 2 SER N N 15 119.08 0.05 . 1 . . . . 2 SER N . 15077 1 5 . 1 1 3 3 ASP H H 1 8.51 0.02 . 1 . . . . 3 ASP H . 15077 1 6 . 1 1 3 3 ASP CA C 13 54.42 0.05 . 1 . . . . 3 ASP CA . 15077 1 7 . 1 1 3 3 ASP CB C 13 40.82 0.05 . 1 . . . . 3 ASP CB . 15077 1 8 . 1 1 3 3 ASP N N 15 122.94 0.05 . 1 . . . . 3 ASP N . 15077 1 9 . 1 1 4 4 ARG H H 1 8.31 0.02 . 1 . . . . 4 ARG H . 15077 1 10 . 1 1 4 4 ARG CA C 13 55.68 0.05 . 1 . . . . 4 ARG CA . 15077 1 11 . 1 1 4 4 ARG CB C 13 31.08 0.05 . 1 . . . . 4 ARG CB . 15077 1 12 . 1 1 4 4 ARG N N 15 121.05 0.05 . 1 . . . . 4 ARG N . 15077 1 13 . 1 1 5 5 LYS H H 1 8.27 0.02 . 1 . . . . 5 LYS H . 15077 1 14 . 1 1 5 5 LYS CA C 13 56.10 0.05 . 1 . . . . 5 LYS CA . 15077 1 15 . 1 1 5 5 LYS CB C 13 33.47 0.05 . 1 . . . . 5 LYS CB . 15077 1 16 . 1 1 5 5 LYS N N 15 122.07 0.05 . 1 . . . . 5 LYS N . 15077 1 17 . 1 1 6 6 ALA H H 1 8.63 0.02 . 1 . . . . 6 ALA H . 15077 1 18 . 1 1 6 6 ALA CA C 13 51.59 0.05 . 1 . . . . 6 ALA CA . 15077 1 19 . 1 1 6 6 ALA CB C 13 21.06 0.05 . 1 . . . . 6 ALA CB . 15077 1 20 . 1 1 6 6 ALA N N 15 127.00 0.05 . 1 . . . . 6 ALA N . 15077 1 21 . 1 1 7 7 VAL H H 1 9.02 0.02 . 1 . . . . 7 VAL H . 15077 1 22 . 1 1 7 7 VAL CA C 13 61.89 0.05 . 1 . . . . 7 VAL CA . 15077 1 23 . 1 1 7 7 VAL CB C 13 34.43 0.05 . 1 . . . . 7 VAL CB . 15077 1 24 . 1 1 7 7 VAL N N 15 123.32 0.05 . 1 . . . . 7 VAL N . 15077 1 25 . 1 1 8 8 ILE H H 1 9.21 0.02 . 1 . . . . 8 ILE H . 15077 1 26 . 1 1 8 8 ILE CA C 13 61.62 0.05 . 1 . . . . 8 ILE CA . 15077 1 27 . 1 1 8 8 ILE CB C 13 36.85 0.05 . 1 . . . . 8 ILE CB . 15077 1 28 . 1 1 8 8 ILE N N 15 128.91 0.05 . 1 . . . . 8 ILE N . 15077 1 29 . 1 1 9 9 LYS H H 1 8.24 0.02 . 1 . . . . 9 LYS H . 15077 1 30 . 1 1 9 9 LYS CA C 13 56.13 0.05 . 1 . . . . 9 LYS CA . 15077 1 31 . 1 1 9 9 LYS CB C 13 32.97 0.05 . 1 . . . . 9 LYS CB . 15077 1 32 . 1 1 9 9 LYS N N 15 129.25 0.05 . 1 . . . . 9 LYS N . 15077 1 33 . 1 1 10 10 ASN H H 1 8.30 0.02 . 1 . . . . 10 ASN H . 15077 1 34 . 1 1 10 10 ASN CA C 13 53.75 0.05 . 1 . . . . 10 ASN CA . 15077 1 35 . 1 1 10 10 ASN CB C 13 41.30 0.05 . 1 . . . . 10 ASN CB . 15077 1 36 . 1 1 10 10 ASN N N 15 115.82 0.05 . 1 . . . . 10 ASN N . 15077 1 37 . 1 1 11 11 ALA H H 1 8.84 0.02 . 1 . . . . 11 ALA H . 15077 1 38 . 1 1 11 11 ALA CA C 13 51.85 0.05 . 1 . . . . 11 ALA CA . 15077 1 39 . 1 1 11 11 ALA CB C 13 22.40 0.05 . 1 . . . . 11 ALA CB . 15077 1 40 . 1 1 11 11 ALA N N 15 125.93 0.05 . 1 . . . . 11 ALA N . 15077 1 41 . 1 1 12 12 ASP H H 1 8.92 0.02 . 1 . . . . 12 ASP H . 15077 1 42 . 1 1 12 12 ASP CA C 13 53.43 0.05 . 1 . . . . 12 ASP CA . 15077 1 43 . 1 1 12 12 ASP CB C 13 41.82 0.05 . 1 . . . . 12 ASP CB . 15077 1 44 . 1 1 12 12 ASP N N 15 122.29 0.05 . 1 . . . . 12 ASP N . 15077 1 45 . 1 1 13 13 MET H H 1 8.04 0.02 . 1 . . . . 13 MET H . 15077 1 46 . 1 1 13 13 MET CA C 13 55.79 0.05 . 1 . . . . 13 MET CA . 15077 1 47 . 1 1 13 13 MET CB C 13 37.82 0.05 . 1 . . . . 13 MET CB . 15077 1 48 . 1 1 13 13 MET N N 15 120.56 0.05 . 1 . . . . 13 MET N . 15077 1 49 . 1 1 14 14 SER H H 1 9.29 0.02 . 1 . . . . 14 SER H . 15077 1 50 . 1 1 14 14 SER CA C 13 58.33 0.05 . 1 . . . . 14 SER CA . 15077 1 51 . 1 1 14 14 SER CB C 13 64.29 0.05 . 1 . . . . 14 SER CB . 15077 1 52 . 1 1 14 14 SER N N 15 122.68 0.05 . 1 . . . . 14 SER N . 15077 1 53 . 1 1 15 15 GLU H H 1 9.32 0.02 . 1 . . . . 15 GLU H . 15077 1 54 . 1 1 15 15 GLU CA C 13 60.68 0.05 . 1 . . . . 15 GLU CA . 15077 1 55 . 1 1 15 15 GLU CB C 13 28.54 0.05 . 1 . . . . 15 GLU CB . 15077 1 56 . 1 1 15 15 GLU N N 15 123.43 0.05 . 1 . . . . 15 GLU N . 15077 1 57 . 1 1 16 16 GLU H H 1 9.20 0.02 . 1 . . . . 16 GLU H . 15077 1 58 . 1 1 16 16 GLU CA C 13 60.01 0.05 . 1 . . . . 16 GLU CA . 15077 1 59 . 1 1 16 16 GLU CB C 13 28.54 0.05 . 1 . . . . 16 GLU CB . 15077 1 60 . 1 1 16 16 GLU N N 15 118.64 0.05 . 1 . . . . 16 GLU N . 15077 1 61 . 1 1 17 17 MET H H 1 7.59 0.02 . 1 . . . . 17 MET H . 15077 1 62 . 1 1 17 17 MET CA C 13 59.73 0.05 . 1 . . . . 17 MET CA . 15077 1 63 . 1 1 17 17 MET CB C 13 33.46 0.05 . 1 . . . . 17 MET CB . 15077 1 64 . 1 1 17 17 MET N N 15 121.11 0.05 . 1 . . . . 17 MET N . 15077 1 65 . 1 1 18 18 GLN H H 1 8.40 0.02 . 1 . . . . 18 GLN H . 15077 1 66 . 1 1 18 18 GLN CA C 13 59.73 0.05 . 1 . . . . 18 GLN CA . 15077 1 67 . 1 1 18 18 GLN CB C 13 29.90 0.05 . 1 . . . . 18 GLN CB . 15077 1 68 . 1 1 18 18 GLN N N 15 119.27 0.05 . 1 . . . . 18 GLN N . 15077 1 69 . 1 1 19 19 GLN H H 1 7.79 0.02 . 1 . . . . 19 GLN H . 15077 1 70 . 1 1 19 19 GLN CA C 13 58.33 0.05 . 1 . . . . 19 GLN CA . 15077 1 71 . 1 1 19 19 GLN CB C 13 28.22 0.05 . 1 . . . . 19 GLN CB . 15077 1 72 . 1 1 19 19 GLN N N 15 116.91 0.05 . 1 . . . . 19 GLN N . 15077 1 73 . 1 1 20 20 ASP H H 1 7.71 0.02 . 1 . . . . 20 ASP H . 15077 1 74 . 1 1 20 20 ASP CA C 13 57.05 0.05 . 1 . . . . 20 ASP CA . 15077 1 75 . 1 1 20 20 ASP CB C 13 40.65 0.05 . 1 . . . . 20 ASP CB . 15077 1 76 . 1 1 20 20 ASP N N 15 119.31 0.05 . 1 . . . . 20 ASP N . 15077 1 77 . 1 1 21 21 ALA H H 1 8.63 0.02 . 1 . . . . 21 ALA H . 15077 1 78 . 1 1 21 21 ALA CA C 13 56.04 0.05 . 1 . . . . 21 ALA CA . 15077 1 79 . 1 1 21 21 ALA CB C 13 17.67 0.05 . 1 . . . . 21 ALA CB . 15077 1 80 . 1 1 21 21 ALA N N 15 123.94 0.05 . 1 . . . . 21 ALA N . 15077 1 81 . 1 1 22 22 VAL H H 1 7.75 0.02 . 1 . . . . 22 VAL H . 15077 1 82 . 1 1 22 22 VAL CA C 13 66.97 0.05 . 1 . . . . 22 VAL CA . 15077 1 83 . 1 1 22 22 VAL CB C 13 31.97 0.05 . 1 . . . . 22 VAL CB . 15077 1 84 . 1 1 22 22 VAL N N 15 117.93 0.05 . 1 . . . . 22 VAL N . 15077 1 85 . 1 1 23 23 ASP H H 1 8.91 0.02 . 1 . . . . 23 ASP H . 15077 1 86 . 1 1 23 23 ASP CA C 13 58.04 0.05 . 1 . . . . 23 ASP CA . 15077 1 87 . 1 1 23 23 ASP CB C 13 39.88 0.05 . 1 . . . . 23 ASP CB . 15077 1 88 . 1 1 23 23 ASP N N 15 123.98 0.05 . 1 . . . . 23 ASP N . 15077 1 89 . 1 1 24 24 CYS H H 1 9.05 0.02 . 1 . . . . 24 CYS H . 15077 1 90 . 1 1 24 24 CYS CA C 13 63.37 0.05 . 1 . . . . 24 CYS CA . 15077 1 91 . 1 1 24 24 CYS CB C 13 27.44 0.05 . 1 . . . . 24 CYS CB . 15077 1 92 . 1 1 24 24 CYS N N 15 120.83 0.05 . 1 . . . . 24 CYS N . 15077 1 93 . 1 1 25 25 ALA H H 1 8.55 0.02 . 1 . . . . 25 ALA H . 15077 1 94 . 1 1 25 25 ALA CA C 13 55.16 0.05 . 1 . . . . 25 ALA CA . 15077 1 95 . 1 1 25 25 ALA CB C 13 19.72 0.05 . 1 . . . . 25 ALA CB . 15077 1 96 . 1 1 25 25 ALA N N 15 120.84 0.05 . 1 . . . . 25 ALA N . 15077 1 97 . 1 1 26 26 THR H H 1 8.49 0.02 . 1 . . . . 26 THR H . 15077 1 98 . 1 1 26 26 THR CA C 13 67.95 0.05 . 1 . . . . 26 THR CA . 15077 1 99 . 1 1 26 26 THR CB C 13 68.52 0.05 . 1 . . . . 26 THR CB . 15077 1 100 . 1 1 26 26 THR N N 15 115.18 0.05 . 1 . . . . 26 THR N . 15077 1 101 . 1 1 27 27 GLN H H 1 7.88 0.02 . 1 . . . . 27 GLN H . 15077 1 102 . 1 1 27 27 GLN CA C 13 58.60 0.05 . 1 . . . . 27 GLN CA . 15077 1 103 . 1 1 27 27 GLN CB C 13 28.54 0.05 . 1 . . . . 27 GLN CB . 15077 1 104 . 1 1 27 27 GLN N N 15 120.41 0.05 . 1 . . . . 27 GLN N . 15077 1 105 . 1 1 28 28 ALA H H 1 8.41 0.02 . 1 . . . . 28 ALA H . 15077 1 106 . 1 1 28 28 ALA CA C 13 55.30 0.05 . 1 . . . . 28 ALA CA . 15077 1 107 . 1 1 28 28 ALA CB C 13 21.34 0.05 . 1 . . . . 28 ALA CB . 15077 1 108 . 1 1 28 28 ALA N N 15 122.34 0.05 . 1 . . . . 28 ALA N . 15077 1 109 . 1 1 29 29 LEU H H 1 8.21 0.02 . 1 . . . . 29 LEU H . 15077 1 110 . 1 1 29 29 LEU CA C 13 57.21 0.05 . 1 . . . . 29 LEU CA . 15077 1 111 . 1 1 29 29 LEU CB C 13 42.45 0.05 . 1 . . . . 29 LEU CB . 15077 1 112 . 1 1 29 29 LEU N N 15 116.59 0.05 . 1 . . . . 29 LEU N . 15077 1 113 . 1 1 30 30 GLU H H 1 7.31 0.02 . 1 . . . . 30 GLU H . 15077 1 114 . 1 1 30 30 GLU CA C 13 57.31 0.05 . 1 . . . . 30 GLU CA . 15077 1 115 . 1 1 30 30 GLU CB C 13 29.01 0.05 . 1 . . . . 30 GLU CB . 15077 1 116 . 1 1 30 30 GLU N N 15 116.24 0.05 . 1 . . . . 30 GLU N . 15077 1 117 . 1 1 31 31 LYS H H 1 7.17 0.02 . 1 . . . . 31 LYS H . 15077 1 118 . 1 1 31 31 LYS CA C 13 57.62 0.05 . 1 . . . . 31 LYS CA . 15077 1 119 . 1 1 31 31 LYS CB C 13 35.55 0.05 . 1 . . . . 31 LYS CB . 15077 1 120 . 1 1 31 31 LYS N N 15 117.55 0.05 . 1 . . . . 31 LYS N . 15077 1 121 . 1 1 32 32 TYR H H 1 8.18 0.02 . 1 . . . . 32 TYR H . 15077 1 122 . 1 1 32 32 TYR CA C 13 57.16 0.05 . 1 . . . . 32 TYR CA . 15077 1 123 . 1 1 32 32 TYR CB C 13 42.22 0.05 . 1 . . . . 32 TYR CB . 15077 1 124 . 1 1 32 32 TYR N N 15 117.03 0.05 . 1 . . . . 32 TYR N . 15077 1 125 . 1 1 33 33 ASN H H 1 8.37 0.02 . 1 . . . . 33 ASN H . 15077 1 126 . 1 1 33 33 ASN CA C 13 52.90 0.05 . 1 . . . . 33 ASN CA . 15077 1 127 . 1 1 33 33 ASN CB C 13 40.61 0.05 . 1 . . . . 33 ASN CB . 15077 1 128 . 1 1 33 33 ASN N N 15 114.22 0.05 . 1 . . . . 33 ASN N . 15077 1 129 . 1 1 34 34 ILE H H 1 8.07 0.02 . 1 . . . . 34 ILE H . 15077 1 130 . 1 1 34 34 ILE CA C 13 59.83 0.05 . 1 . . . . 34 ILE CA . 15077 1 131 . 1 1 34 34 ILE N N 15 122.27 0.05 . 1 . . . . 34 ILE N . 15077 1 132 . 1 1 35 35 GLU H H 1 9.39 0.02 . 1 . . . . 35 GLU H . 15077 1 133 . 1 1 35 35 GLU CA C 13 61.24 0.05 . 1 . . . . 35 GLU CA . 15077 1 134 . 1 1 35 35 GLU N N 15 129.61 0.05 . 1 . . . . 35 GLU N . 15077 1 135 . 1 1 36 36 LYS H H 1 8.84 0.02 . 1 . . . . 36 LYS H . 15077 1 136 . 1 1 36 36 LYS CA C 13 59.42 0.05 . 1 . . . . 36 LYS CA . 15077 1 137 . 1 1 36 36 LYS N N 15 115.32 0.05 . 1 . . . . 36 LYS N . 15077 1 138 . 1 1 37 37 ASP H H 1 7.14 0.02 . 1 . . . . 37 ASP H . 15077 1 139 . 1 1 37 37 ASP CA C 13 56.36 0.05 . 1 . . . . 37 ASP CA . 15077 1 140 . 1 1 37 37 ASP CB C 13 40.07 0.05 . 1 . . . . 37 ASP CB . 15077 1 141 . 1 1 37 37 ASP N N 15 123.08 0.05 . 1 . . . . 37 ASP N . 15077 1 142 . 1 1 38 38 ILE H H 1 7.47 0.02 . 1 . . . . 38 ILE H . 15077 1 143 . 1 1 38 38 ILE CA C 13 65.60 0.05 . 1 . . . . 38 ILE CA . 15077 1 144 . 1 1 38 38 ILE N N 15 123.30 0.05 . 1 . . . . 38 ILE N . 15077 1 145 . 1 1 39 39 ALA H H 1 8.27 0.02 . 1 . . . . 39 ALA H . 15077 1 146 . 1 1 39 39 ALA CA C 13 54.72 0.05 . 1 . . . . 39 ALA CA . 15077 1 147 . 1 1 39 39 ALA CB C 13 17.67 0.05 . 1 . . . . 39 ALA CB . 15077 1 148 . 1 1 39 39 ALA N N 15 119.38 0.05 . 1 . . . . 39 ALA N . 15077 1 149 . 1 1 40 40 ALA H H 1 7.72 0.02 . 1 . . . . 40 ALA H . 15077 1 150 . 1 1 40 40 ALA CA C 13 54.76 0.05 . 1 . . . . 40 ALA CA . 15077 1 151 . 1 1 40 40 ALA CB C 13 18.30 0.05 . 1 . . . . 40 ALA CB . 15077 1 152 . 1 1 40 40 ALA N N 15 118.59 0.05 . 1 . . . . 40 ALA N . 15077 1 153 . 1 1 41 41 TYR H H 1 7.34 0.02 . 1 . . . . 41 TYR H . 15077 1 154 . 1 1 41 41 TYR CA C 13 61.95 0.05 . 1 . . . . 41 TYR CA . 15077 1 155 . 1 1 41 41 TYR CB C 13 38.87 0.05 . 1 . . . . 41 TYR CB . 15077 1 156 . 1 1 41 41 TYR N N 15 117.34 0.05 . 1 . . . . 41 TYR N . 15077 1 157 . 1 1 42 42 ILE H H 1 7.65 0.02 . 1 . . . . 42 ILE H . 15077 1 158 . 1 1 42 42 ILE CA C 13 65.34 0.05 . 1 . . . . 42 ILE CA . 15077 1 159 . 1 1 42 42 ILE CB C 13 40.67 0.05 . 1 . . . . 42 ILE CB . 15077 1 160 . 1 1 42 42 ILE N N 15 117.29 0.05 . 1 . . . . 42 ILE N . 15077 1 161 . 1 1 43 43 LYS H H 1 8.26 0.02 . 1 . . . . 43 LYS H . 15077 1 162 . 1 1 43 43 LYS CA C 13 61.28 0.05 . 1 . . . . 43 LYS CA . 15077 1 163 . 1 1 43 43 LYS N N 15 118.63 0.05 . 1 . . . . 43 LYS N . 15077 1 164 . 1 1 44 44 LYS H H 1 8.39 0.02 . 1 . . . . 44 LYS H . 15077 1 165 . 1 1 44 44 LYS CA C 13 60.45 0.05 . 1 . . . . 44 LYS CA . 15077 1 166 . 1 1 44 44 LYS CB C 13 32.32 0.05 . 1 . . . . 44 LYS CB . 15077 1 167 . 1 1 44 44 LYS N N 15 117.48 0.05 . 1 . . . . 44 LYS N . 15077 1 168 . 1 1 45 45 GLU H H 1 7.85 0.02 . 1 . . . . 45 GLU H . 15077 1 169 . 1 1 45 45 GLU CA C 13 58.69 0.05 . 1 . . . . 45 GLU CA . 15077 1 170 . 1 1 45 45 GLU CB C 13 29.20 0.05 . 1 . . . . 45 GLU CB . 15077 1 171 . 1 1 45 45 GLU N N 15 119.87 0.05 . 1 . . . . 45 GLU N . 15077 1 172 . 1 1 46 46 PHE H H 1 8.45 0.02 . 1 . . . . 46 PHE H . 15077 1 173 . 1 1 46 46 PHE CA C 13 63.71 0.05 . 1 . . . . 46 PHE CA . 15077 1 174 . 1 1 46 46 PHE CB C 13 36.13 0.05 . 1 . . . . 46 PHE CB . 15077 1 175 . 1 1 46 46 PHE N N 15 123.15 0.05 . 1 . . . . 46 PHE N . 15077 1 176 . 1 1 47 47 ASP H H 1 8.54 0.02 . 1 . . . . 47 ASP H . 15077 1 177 . 1 1 47 47 ASP CA C 13 57.26 0.05 . 1 . . . . 47 ASP CA . 15077 1 178 . 1 1 47 47 ASP CB C 13 40.25 0.05 . 1 . . . . 47 ASP CB . 15077 1 179 . 1 1 47 47 ASP N N 15 119.77 0.05 . 1 . . . . 47 ASP N . 15077 1 180 . 1 1 48 48 LYS H H 1 7.22 0.02 . 1 . . . . 48 LYS H . 15077 1 181 . 1 1 48 48 LYS CA C 13 59.14 0.05 . 1 . . . . 48 LYS CA . 15077 1 182 . 1 1 48 48 LYS CB C 13 32.63 0.05 . 1 . . . . 48 LYS CB . 15077 1 183 . 1 1 48 48 LYS N N 15 117.30 0.05 . 1 . . . . 48 LYS N . 15077 1 184 . 1 1 49 49 LYS H H 1 7.96 0.02 . 1 . . . . 49 LYS H . 15077 1 185 . 1 1 49 49 LYS CA C 13 58.94 0.05 . 1 . . . . 49 LYS CA . 15077 1 186 . 1 1 49 49 LYS CB C 13 33.74 0.05 . 1 . . . . 49 LYS CB . 15077 1 187 . 1 1 49 49 LYS N N 15 117.68 0.05 . 1 . . . . 49 LYS N . 15077 1 188 . 1 1 50 50 TYR H H 1 8.41 0.02 . 1 . . . . 50 TYR H . 15077 1 189 . 1 1 50 50 TYR CA C 13 57.92 0.05 . 1 . . . . 50 TYR CA . 15077 1 190 . 1 1 50 50 TYR CB C 13 39.64 0.05 . 1 . . . . 50 TYR CB . 15077 1 191 . 1 1 50 50 TYR N N 15 115.56 0.05 . 1 . . . . 50 TYR N . 15077 1 192 . 1 1 51 51 ASN H H 1 6.91 0.02 . 1 . . . . 51 ASN H . 15077 1 193 . 1 1 51 51 ASN CA C 13 55.31 0.05 . 1 . . . . 51 ASN CA . 15077 1 194 . 1 1 51 51 ASN N N 15 112.68 0.05 . 1 . . . . 51 ASN N . 15077 1 195 . 1 1 52 52 PRO CA C 13 68.03 0.05 . 1 . . . . 52 PRO CA . 15077 1 196 . 1 1 52 52 PRO CB C 13 32.34 0.05 . 1 . . . . 52 PRO CB . 15077 1 197 . 1 1 53 53 THR H H 1 7.86 0.02 . 1 . . . . 53 THR H . 15077 1 198 . 1 1 53 53 THR CA C 13 65.10 0.05 . 1 . . . . 53 THR CA . 15077 1 199 . 1 1 53 53 THR CB C 13 69.33 0.05 . 1 . . . . 53 THR CB . 15077 1 200 . 1 1 53 53 THR N N 15 119.87 0.05 . 1 . . . . 53 THR N . 15077 1 201 . 1 1 54 54 TRP H H 1 9.47 0.02 . 1 . . . . 54 TRP H . 15077 1 202 . 1 1 54 54 TRP CA C 13 55.64 0.05 . 1 . . . . 54 TRP CA . 15077 1 203 . 1 1 54 54 TRP CB C 13 29.38 0.05 . 1 . . . . 54 TRP CB . 15077 1 204 . 1 1 54 54 TRP N N 15 127.38 0.05 . 1 . . . . 54 TRP N . 15077 1 205 . 1 1 55 55 HIS H H 1 8.45 0.02 . 1 . . . . 55 HIS H . 15077 1 206 . 1 1 55 55 HIS CA C 13 54.77 0.05 . 1 . . . . 55 HIS CA . 15077 1 207 . 1 1 55 55 HIS CB C 13 34.52 0.05 . 1 . . . . 55 HIS CB . 15077 1 208 . 1 1 55 55 HIS N N 15 118.95 0.05 . 1 . . . . 55 HIS N . 15077 1 209 . 1 1 56 56 CYS H H 1 8.42 0.02 . 1 . . . . 56 CYS H . 15077 1 210 . 1 1 56 56 CYS CA C 13 56.64 0.05 . 1 . . . . 56 CYS CA . 15077 1 211 . 1 1 56 56 CYS CB C 13 30.74 0.05 . 1 . . . . 56 CYS CB . 15077 1 212 . 1 1 56 56 CYS N N 15 120.68 0.05 . 1 . . . . 56 CYS N . 15077 1 213 . 1 1 57 57 ILE H H 1 9.38 0.02 . 1 . . . . 57 ILE H . 15077 1 214 . 1 1 57 57 ILE CA C 13 60.17 0.05 . 1 . . . . 57 ILE CA . 15077 1 215 . 1 1 57 57 ILE N N 15 131.82 0.05 . 1 . . . . 57 ILE N . 15077 1 216 . 1 1 58 58 VAL H H 1 8.76 0.02 . 1 . . . . 58 VAL H . 15077 1 217 . 1 1 58 58 VAL CA C 13 59.39 0.05 . 1 . . . . 58 VAL CA . 15077 1 218 . 1 1 58 58 VAL CB C 13 37.80 0.05 . 1 . . . . 58 VAL CB . 15077 1 219 . 1 1 58 58 VAL N N 15 125.57 0.05 . 1 . . . . 58 VAL N . 15077 1 220 . 1 1 59 59 GLY H H 1 9.81 0.02 . 1 . . . . 59 GLY H . 15077 1 221 . 1 1 59 59 GLY CA C 13 46.87 0.05 . 1 . . . . 59 GLY CA . 15077 1 222 . 1 1 59 59 GLY N N 15 112.55 0.05 . 1 . . . . 59 GLY N . 15077 1 223 . 1 1 60 60 ARG H H 1 8.35 0.02 . 1 . . . . 60 ARG H . 15077 1 224 . 1 1 60 60 ARG CA C 13 56.58 0.05 . 1 . . . . 60 ARG CA . 15077 1 225 . 1 1 60 60 ARG CB C 13 31.90 0.05 . 1 . . . . 60 ARG CB . 15077 1 226 . 1 1 60 60 ARG N N 15 116.10 0.05 . 1 . . . . 60 ARG N . 15077 1 227 . 1 1 61 61 ASN H H 1 9.32 0.02 . 1 . . . . 61 ASN H . 15077 1 228 . 1 1 61 61 ASN CA C 13 55.04 0.05 . 1 . . . . 61 ASN CA . 15077 1 229 . 1 1 61 61 ASN CB C 13 41.30 0.05 . 1 . . . . 61 ASN CB . 15077 1 230 . 1 1 61 61 ASN N N 15 117.33 0.05 . 1 . . . . 61 ASN N . 15077 1 231 . 1 1 62 62 PHE H H 1 8.58 0.02 . 1 . . . . 62 PHE H . 15077 1 232 . 1 1 62 62 PHE CA C 13 58.48 0.05 . 1 . . . . 62 PHE CA . 15077 1 233 . 1 1 62 62 PHE N N 15 122.53 0.05 . 1 . . . . 62 PHE N . 15077 1 234 . 1 1 63 63 GLY H H 1 9.65 0.02 . 1 . . . . 63 GLY H . 15077 1 235 . 1 1 63 63 GLY CA C 13 43.44 0.05 . 1 . . . . 63 GLY CA . 15077 1 236 . 1 1 63 63 GLY N N 15 111.08 0.05 . 1 . . . . 63 GLY N . 15077 1 237 . 1 1 64 64 SER H H 1 9.31 0.02 . 1 . . . . 64 SER H . 15077 1 238 . 1 1 64 64 SER CA C 13 57.45 0.05 . 1 . . . . 64 SER CA . 15077 1 239 . 1 1 64 64 SER CB C 13 63.98 0.05 . 1 . . . . 64 SER CB . 15077 1 240 . 1 1 64 64 SER N N 15 116.29 0.05 . 1 . . . . 64 SER N . 15077 1 241 . 1 1 65 65 TYR H H 1 8.58 0.02 . 1 . . . . 65 TYR H . 15077 1 242 . 1 1 65 65 TYR CA C 13 59.50 0.05 . 1 . . . . 65 TYR CA . 15077 1 243 . 1 1 65 65 TYR CB C 13 38.78 0.05 . 1 . . . . 65 TYR CB . 15077 1 244 . 1 1 65 65 TYR N N 15 120.73 0.05 . 1 . . . . 65 TYR N . 15077 1 245 . 1 1 66 66 VAL H H 1 8.22 0.02 . 1 . . . . 66 VAL H . 15077 1 246 . 1 1 66 66 VAL CA C 13 57.60 0.05 . 1 . . . . 66 VAL CA . 15077 1 247 . 1 1 66 66 VAL CB C 13 32.03 0.05 . 1 . . . . 66 VAL CB . 15077 1 248 . 1 1 66 66 VAL N N 15 118.72 0.05 . 1 . . . . 66 VAL N . 15077 1 249 . 1 1 67 67 THR H H 1 8.74 0.02 . 1 . . . . 67 THR H . 15077 1 250 . 1 1 67 67 THR CA C 13 61.91 0.05 . 1 . . . . 67 THR CA . 15077 1 251 . 1 1 67 67 THR CB C 13 69.28 0.05 . 1 . . . . 67 THR CB . 15077 1 252 . 1 1 67 67 THR N N 15 118.38 0.05 . 1 . . . . 67 THR N . 15077 1 253 . 1 1 68 68 HIS H H 1 8.84 0.02 . 1 . . . . 68 HIS H . 15077 1 254 . 1 1 68 68 HIS CA C 13 52.12 0.05 . 1 . . . . 68 HIS CA . 15077 1 255 . 1 1 68 68 HIS N N 15 117.89 0.05 . 1 . . . . 68 HIS N . 15077 1 256 . 1 1 69 69 GLU H H 1 8.62 0.02 . 1 . . . . 69 GLU H . 15077 1 257 . 1 1 69 69 GLU CA C 13 56.36 0.05 . 1 . . . . 69 GLU CA . 15077 1 258 . 1 1 69 69 GLU CB C 13 30.00 0.05 . 1 . . . . 69 GLU CB . 15077 1 259 . 1 1 69 69 GLU N N 15 120.38 0.05 . 1 . . . . 69 GLU N . 15077 1 260 . 1 1 70 70 THR H H 1 9.06 0.02 . 1 . . . . 70 THR H . 15077 1 261 . 1 1 70 70 THR CA C 13 64.53 0.05 . 1 . . . . 70 THR CA . 15077 1 262 . 1 1 70 70 THR N N 15 126.81 0.05 . 1 . . . . 70 THR N . 15077 1 263 . 1 1 71 71 ARG H H 1 9.83 0.02 . 1 . . . . 71 ARG H . 15077 1 264 . 1 1 71 71 ARG CA C 13 58.55 0.05 . 1 . . . . 71 ARG CA . 15077 1 265 . 1 1 71 71 ARG CB C 13 31.06 0.05 . 1 . . . . 71 ARG CB . 15077 1 266 . 1 1 71 71 ARG N N 15 122.86 0.05 . 1 . . . . 71 ARG N . 15077 1 267 . 1 1 72 72 HIS H H 1 8.00 0.02 . 1 . . . . 72 HIS H . 15077 1 268 . 1 1 72 72 HIS CA C 13 55.12 0.05 . 1 . . . . 72 HIS CA . 15077 1 269 . 1 1 72 72 HIS CB C 13 31.00 0.05 . 1 . . . . 72 HIS CB . 15077 1 270 . 1 1 72 72 HIS N N 15 115.24 0.05 . 1 . . . . 72 HIS N . 15077 1 271 . 1 1 73 73 PHE H H 1 8.17 0.02 . 1 . . . . 73 PHE H . 15077 1 272 . 1 1 73 73 PHE CA C 13 58.33 0.05 . 1 . . . . 73 PHE CA . 15077 1 273 . 1 1 73 73 PHE CB C 13 41.29 0.05 . 1 . . . . 73 PHE CB . 15077 1 274 . 1 1 73 73 PHE N N 15 121.75 0.05 . 1 . . . . 73 PHE N . 15077 1 275 . 1 1 74 74 ILE H H 1 8.76 0.02 . 1 . . . . 74 ILE H . 15077 1 276 . 1 1 74 74 ILE CA C 13 62.04 0.05 . 1 . . . . 74 ILE CA . 15077 1 277 . 1 1 74 74 ILE N N 15 128.81 0.05 . 1 . . . . 74 ILE N . 15077 1 278 . 1 1 75 75 TYR H H 1 8.30 0.02 . 1 . . . . 75 TYR H . 15077 1 279 . 1 1 75 75 TYR CA C 13 54.97 0.05 . 1 . . . . 75 TYR CA . 15077 1 280 . 1 1 75 75 TYR CB C 13 41.77 0.05 . 1 . . . . 75 TYR CB . 15077 1 281 . 1 1 75 75 TYR N N 15 126.23 0.05 . 1 . . . . 75 TYR N . 15077 1 282 . 1 1 76 76 PHE H H 1 9.31 0.02 . 1 . . . . 76 PHE H . 15077 1 283 . 1 1 76 76 PHE CA C 13 55.26 0.05 . 1 . . . . 76 PHE CA . 15077 1 284 . 1 1 76 76 PHE CB C 13 43.37 0.05 . 1 . . . . 76 PHE CB . 15077 1 285 . 1 1 76 76 PHE N N 15 125.03 0.05 . 1 . . . . 76 PHE N . 15077 1 286 . 1 1 77 77 TYR H H 1 9.21 0.02 . 1 . . . . 77 TYR H . 15077 1 287 . 1 1 77 77 TYR CA C 13 55.12 0.05 . 1 . . . . 77 TYR CA . 15077 1 288 . 1 1 77 77 TYR CB C 13 41.29 0.05 . 1 . . . . 77 TYR CB . 15077 1 289 . 1 1 77 77 TYR N N 15 119.00 0.05 . 1 . . . . 77 TYR N . 15077 1 290 . 1 1 78 78 LEU H H 1 8.66 0.02 . 1 . . . . 78 LEU H . 15077 1 291 . 1 1 78 78 LEU CA C 13 54.10 0.05 . 1 . . . . 78 LEU CA . 15077 1 292 . 1 1 78 78 LEU CB C 13 43.99 0.05 . 1 . . . . 78 LEU CB . 15077 1 293 . 1 1 78 78 LEU N N 15 122.38 0.05 . 1 . . . . 78 LEU N . 15077 1 294 . 1 1 79 79 GLY H H 1 8.86 0.02 . 1 . . . . 79 GLY H . 15077 1 295 . 1 1 79 79 GLY CA C 13 47.03 0.05 . 1 . . . . 79 GLY CA . 15077 1 296 . 1 1 79 79 GLY N N 15 114.01 0.05 . 1 . . . . 79 GLY N . 15077 1 297 . 1 1 80 80 GLN H H 1 8.84 0.02 . 1 . . . . 80 GLN H . 15077 1 298 . 1 1 80 80 GLN CA C 13 56.13 0.05 . 1 . . . . 80 GLN CA . 15077 1 299 . 1 1 80 80 GLN CB C 13 29.17 0.05 . 1 . . . . 80 GLN CB . 15077 1 300 . 1 1 80 80 GLN N N 15 124.00 0.05 . 1 . . . . 80 GLN N . 15077 1 301 . 1 1 81 81 VAL H H 1 7.58 0.02 . 1 . . . . 81 VAL H . 15077 1 302 . 1 1 81 81 VAL CA C 13 61.20 0.05 . 1 . . . . 81 VAL CA . 15077 1 303 . 1 1 81 81 VAL CB C 13 33.78 0.05 . 1 . . . . 81 VAL CB . 15077 1 304 . 1 1 81 81 VAL N N 15 115.03 0.05 . 1 . . . . 81 VAL N . 15077 1 305 . 1 1 82 82 ALA H H 1 8.46 0.02 . 1 . . . . 82 ALA H . 15077 1 306 . 1 1 82 82 ALA CA C 13 50.52 0.05 . 1 . . . . 82 ALA CA . 15077 1 307 . 1 1 82 82 ALA CB C 13 21.37 0.05 . 1 . . . . 82 ALA CB . 15077 1 308 . 1 1 82 82 ALA N N 15 126.95 0.05 . 1 . . . . 82 ALA N . 15077 1 309 . 1 1 83 83 ILE H H 1 9.00 0.02 . 1 . . . . 83 ILE H . 15077 1 310 . 1 1 83 83 ILE CA C 13 61.10 0.05 . 1 . . . . 83 ILE CA . 15077 1 311 . 1 1 83 83 ILE N N 15 120.29 0.05 . 1 . . . . 83 ILE N . 15077 1 312 . 1 1 84 84 LEU H H 1 9.47 0.02 . 1 . . . . 84 LEU H . 15077 1 313 . 1 1 84 84 LEU CA C 13 53.22 0.05 . 1 . . . . 84 LEU CA . 15077 1 314 . 1 1 84 84 LEU N N 15 128.85 0.05 . 1 . . . . 84 LEU N . 15077 1 315 . 1 1 85 85 LEU H H 1 8.85 0.02 . 1 . . . . 85 LEU H . 15077 1 316 . 1 1 85 85 LEU CA C 13 53.95 0.05 . 1 . . . . 85 LEU CA . 15077 1 317 . 1 1 85 85 LEU CB C 13 46.72 0.05 . 1 . . . . 85 LEU CB . 15077 1 318 . 1 1 85 85 LEU N N 15 129.79 0.05 . 1 . . . . 85 LEU N . 15077 1 319 . 1 1 86 86 PHE H H 1 8.68 0.02 . 1 . . . . 86 PHE H . 15077 1 320 . 1 1 86 86 PHE CA C 13 56.21 0.05 . 1 . . . . 86 PHE CA . 15077 1 321 . 1 1 86 86 PHE N N 15 120.86 0.05 . 1 . . . . 86 PHE N . 15077 1 322 . 1 1 87 87 LYS H H 1 7.51 0.02 . 1 . . . . 87 LYS H . 15077 1 323 . 1 1 87 87 LYS CA C 13 53.80 0.05 . 1 . . . . 87 LYS CA . 15077 1 324 . 1 1 87 87 LYS N N 15 122.88 0.05 . 1 . . . . 87 LYS N . 15077 1 325 . 1 1 88 88 SER H H 1 8.32 0.02 . 1 . . . . 88 SER H . 15077 1 326 . 1 1 88 88 SER CA C 13 60.01 0.05 . 1 . . . . 88 SER CA . 15077 1 327 . 1 1 88 88 SER N N 15 118.31 0.05 . 1 . . . . 88 SER N . 15077 1 328 . 1 1 89 89 GLY H H 1 8.92 0.02 . 1 . . . . 89 GLY H . 15077 1 329 . 1 1 89 89 GLY CA C 13 46.06 0.05 . 1 . . . . 89 GLY CA . 15077 1 330 . 1 1 89 89 GLY N N 15 126.70 0.05 . 1 . . . . 89 GLY N . 15077 1 stop_ save_