################################### # 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 27836 _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 '4D HN-HN NOESY' . . . 27836 1 2 '3D HNCACB' . . . 27836 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27836 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 GLN H H 1 8.79 . . . . . . . . 2 GLN H . 27836 1 2 . 1 . 1 2 2 GLN N N 15 120.01 . . . . . . . . 2 GLN N . 27836 1 3 . 1 . 1 3 3 GLN H H 1 8.18 . . . . . . . . 3 GLN H . 27836 1 4 . 1 . 1 3 3 GLN N N 15 119.71 . . . . . . . . 3 GLN N . 27836 1 5 . 1 . 1 4 4 GLU H H 1 8.26 . . . . . . . . 4 GLU H . 27836 1 6 . 1 . 1 4 4 GLU CA C 13 57.56 . . . . . . . . 4 GLU CA . 27836 1 7 . 1 . 1 4 4 GLU CB C 13 27.81 . . . . . . . . 4 GLU CB . 27836 1 8 . 1 . 1 4 4 GLU N N 15 121.70 . . . . . . . . 4 GLU N . 27836 1 9 . 1 . 1 5 5 GLU H H 1 8.54 . . . . . . . . 5 GLU H . 27836 1 10 . 1 . 1 5 5 GLU CA C 13 57.80 . . . . . . . . 5 GLU CA . 27836 1 11 . 1 . 1 5 5 GLU CB C 13 28.93 . . . . . . . . 5 GLU CB . 27836 1 12 . 1 . 1 5 5 GLU N N 15 121.30 . . . . . . . . 5 GLU N . 27836 1 13 . 1 . 1 6 6 GLU H H 1 8.23 . . . . . . . . 6 GLU H . 27836 1 14 . 1 . 1 6 6 GLU CA C 13 58.53 . . . . . . . . 6 GLU CA . 27836 1 15 . 1 . 1 6 6 GLU CB C 13 28.75 . . . . . . . . 6 GLU CB . 27836 1 16 . 1 . 1 6 6 GLU N N 15 121.78 . . . . . . . . 6 GLU N . 27836 1 17 . 1 . 1 7 7 ALA H H 1 8.18 . . . . . . . . 7 ALA H . 27836 1 18 . 1 . 1 7 7 ALA CA C 13 54.71 . . . . . . . . 7 ALA CA . 27836 1 19 . 1 . 1 7 7 ALA CB C 13 17.31 . . . . . . . . 7 ALA CB . 27836 1 20 . 1 . 1 7 7 ALA N N 15 121.00 . . . . . . . . 7 ALA N . 27836 1 21 . 1 . 1 8 8 GLU H H 1 7.89 . . . . . . . . 8 GLU H . 27836 1 22 . 1 . 1 8 8 GLU CA C 13 58.21 . . . . . . . . 8 GLU CA . 27836 1 23 . 1 . 1 8 8 GLU CB C 13 28.45 . . . . . . . . 8 GLU CB . 27836 1 24 . 1 . 1 8 8 GLU N N 15 118.95 . . . . . . . . 8 GLU N . 27836 1 25 . 1 . 1 9 9 ARG H H 1 8.03 . . . . . . . . 9 ARG H . 27836 1 26 . 1 . 1 9 9 ARG CA C 13 59.24 . . . . . . . . 9 ARG CA . 27836 1 27 . 1 . 1 9 9 ARG CB C 13 29.36 . . . . . . . . 9 ARG CB . 27836 1 28 . 1 . 1 9 9 ARG N N 15 121.40 . . . . . . . . 9 ARG N . 27836 1 29 . 1 . 1 10 10 LEU H H 1 8.14 . . . . . . . . 10 LEU H . 27836 1 30 . 1 . 1 10 10 LEU CA C 13 57.28 . . . . . . . . 10 LEU CA . 27836 1 31 . 1 . 1 10 10 LEU CB C 13 40.47 . . . . . . . . 10 LEU CB . 27836 1 32 . 1 . 1 10 10 LEU N N 15 118.02 . . . . . . . . 10 LEU N . 27836 1 33 . 1 . 1 11 11 ARG H H 1 7.99 . . . . . . . . 11 ARG H . 27836 1 34 . 1 . 1 11 11 ARG CA C 13 58.87 . . . . . . . . 11 ARG CA . 27836 1 35 . 1 . 1 11 11 ARG CB C 13 28.99 . . . . . . . . 11 ARG CB . 27836 1 36 . 1 . 1 11 11 ARG N N 15 120.78 . . . . . . . . 11 ARG N . 27836 1 37 . 1 . 1 12 12 ARG H H 1 8.18 . . . . . . . . 12 ARG H . 27836 1 38 . 1 . 1 12 12 ARG CA C 13 58.89 . . . . . . . . 12 ARG CA . 27836 1 39 . 1 . 1 12 12 ARG CB C 13 28.93 . . . . . . . . 12 ARG CB . 27836 1 40 . 1 . 1 12 12 ARG N N 15 119.49 . . . . . . . . 12 ARG N . 27836 1 41 . 1 . 1 13 13 ILE H H 1 7.93 . . . . . . . . 13 ILE H . 27836 1 42 . 1 . 1 13 13 ILE CA C 13 64.46 . . . . . . . . 13 ILE CA . 27836 1 43 . 1 . 1 13 13 ILE CB C 13 37.36 . . . . . . . . 13 ILE CB . 27836 1 44 . 1 . 1 13 13 ILE N N 15 120.12 . . . . . . . . 13 ILE N . 27836 1 45 . 1 . 1 14 14 GLN H H 1 8.01 . . . . . . . . 14 GLN H . 27836 1 46 . 1 . 1 14 14 GLN CA C 13 58.55 . . . . . . . . 14 GLN CA . 27836 1 47 . 1 . 1 14 14 GLN CB C 13 27.26 . . . . . . . . 14 GLN CB . 27836 1 48 . 1 . 1 14 14 GLN N N 15 119.92 . . . . . . . . 14 GLN N . 27836 1 49 . 1 . 1 15 15 GLU H H 1 8.43 . . . . . . . . 15 GLU H . 27836 1 50 . 1 . 1 15 15 GLU CA C 13 59.04 . . . . . . . . 15 GLU CA . 27836 1 51 . 1 . 1 15 15 GLU CB C 13 28.78 . . . . . . . . 15 GLU CB . 27836 1 52 . 1 . 1 15 15 GLU N N 15 120.35 . . . . . . . . 15 GLU N . 27836 1 53 . 1 . 1 16 16 GLU H H 1 8.30 . . . . . . . . 16 GLU H . 27836 1 54 . 1 . 1 16 16 GLU CA C 13 58.83 . . . . . . . . 16 GLU CA . 27836 1 55 . 1 . 1 16 16 GLU CB C 13 28.52 . . . . . . . . 16 GLU CB . 27836 1 56 . 1 . 1 16 16 GLU N N 15 120.27 . . . . . . . . 16 GLU N . 27836 1 57 . 1 . 1 17 17 MET H H 1 8.37 . . . . . . . . 17 MET H . 27836 1 58 . 1 . 1 17 17 MET CA C 13 58.45 . . . . . . . . 17 MET CA . 27836 1 59 . 1 . 1 17 17 MET CB C 13 31.75 . . . . . . . . 17 MET CB . 27836 1 60 . 1 . 1 17 17 MET N N 15 119.82 . . . . . . . . 17 MET N . 27836 1 61 . 1 . 1 18 18 GLU H H 1 8.18 . . . . . . . . 18 GLU H . 27836 1 62 . 1 . 1 18 18 GLU CA C 13 58.45 . . . . . . . . 18 GLU CA . 27836 1 63 . 1 . 1 18 18 GLU CB C 13 28.52 . . . . . . . . 18 GLU CB . 27836 1 64 . 1 . 1 18 18 GLU N N 15 121.31 . . . . . . . . 18 GLU N . 27836 1 65 . 1 . 1 19 19 LYS H H 1 8.07 . . . . . . . . 19 LYS H . 27836 1 66 . 1 . 1 19 19 LYS CA C 13 59.27 . . . . . . . . 19 LYS CA . 27836 1 67 . 1 . 1 19 19 LYS CB C 13 31.50 . . . . . . . . 19 LYS CB . 27836 1 68 . 1 . 1 19 19 LYS N N 15 120.34 . . . . . . . . 19 LYS N . 27836 1 69 . 1 . 1 20 20 GLU H H 1 8.03 . . . . . . . . 20 GLU H . 27836 1 70 . 1 . 1 20 20 GLU CA C 13 58.44 . . . . . . . . 20 GLU CA . 27836 1 71 . 1 . 1 20 20 GLU CB C 13 28.44 . . . . . . . . 20 GLU CB . 27836 1 72 . 1 . 1 20 20 GLU N N 15 120.00 . . . . . . . . 20 GLU N . 27836 1 73 . 1 . 1 21 21 ARG H H 1 8.16 . . . . . . . . 21 ARG H . 27836 1 74 . 1 . 1 21 21 ARG CA C 13 59.23 . . . . . . . . 21 ARG CA . 27836 1 75 . 1 . 1 21 21 ARG CB C 13 28.86 . . . . . . . . 21 ARG CB . 27836 1 76 . 1 . 1 21 21 ARG N N 15 121.13 . . . . . . . . 21 ARG N . 27836 1 77 . 1 . 1 22 22 LYS H H 1 8.16 . . . . . . . . 22 LYS H . 27836 1 78 . 1 . 1 22 22 LYS CA C 13 58.77 . . . . . . . . 22 LYS CA . 27836 1 79 . 1 . 1 22 22 LYS CB C 13 31.26 . . . . . . . . 22 LYS CB . 27836 1 80 . 1 . 1 22 22 LYS N N 15 119.07 . . . . . . . . 22 LYS N . 27836 1 81 . 1 . 1 23 23 ARG H H 1 7.96 . . . . . . . . 23 ARG H . 27836 1 82 . 1 . 1 23 23 ARG CA C 13 58.72 . . . . . . . . 23 ARG CA . 27836 1 83 . 1 . 1 23 23 ARG CB C 13 29.04 . . . . . . . . 23 ARG CB . 27836 1 84 . 1 . 1 23 23 ARG N N 15 120.06 . . . . . . . . 23 ARG N . 27836 1 85 . 1 . 1 24 24 ARG H H 1 8.22 . . . . . . . . 24 ARG H . 27836 1 86 . 1 . 1 24 24 ARG CA C 13 58.86 . . . . . . . . 24 ARG CA . 27836 1 87 . 1 . 1 24 24 ARG CB C 13 29.11 . . . . . . . . 24 ARG CB . 27836 1 88 . 1 . 1 24 24 ARG N N 15 119.34 . . . . . . . . 24 ARG N . 27836 1 89 . 1 . 1 25 25 GLU H H 1 8.25 . . . . . . . . 25 GLU H . 27836 1 90 . 1 . 1 25 25 GLU CA C 13 58.86 . . . . . . . . 25 GLU CA . 27836 1 91 . 1 . 1 25 25 GLU CB C 13 28.84 . . . . . . . . 25 GLU CB . 27836 1 92 . 1 . 1 25 25 GLU N N 15 120.27 . . . . . . . . 25 GLU N . 27836 1 93 . 1 . 1 26 26 GLU H H 1 8.34 . . . . . . . . 26 GLU H . 27836 1 94 . 1 . 1 26 26 GLU CA C 13 58.89 . . . . . . . . 26 GLU CA . 27836 1 95 . 1 . 1 26 26 GLU CB C 13 28.63 . . . . . . . . 26 GLU CB . 27836 1 96 . 1 . 1 26 26 GLU N N 15 120.49 . . . . . . . . 26 GLU N . 27836 1 97 . 1 . 1 27 27 ASP H H 1 8.36 . . . . . . . . 27 ASP H . 27836 1 98 . 1 . 1 27 27 ASP CA C 13 57.07 . . . . . . . . 27 ASP CA . 27836 1 99 . 1 . 1 27 27 ASP CB C 13 40.41 . . . . . . . . 27 ASP CB . 27836 1 100 . 1 . 1 27 27 ASP N N 15 121.07 . . . . . . . . 27 ASP N . 27836 1 101 . 1 . 1 28 28 GLU H H 1 8.24 . . . . . . . . 28 GLU H . 27836 1 102 . 1 . 1 28 28 GLU CA C 13 58.85 . . . . . . . . 28 GLU CA . 27836 1 103 . 1 . 1 28 28 GLU CB C 13 28.48 . . . . . . . . 28 GLU CB . 27836 1 104 . 1 . 1 28 28 GLU N N 15 120.37 . . . . . . . . 28 GLU N . 27836 1 105 . 1 . 1 29 29 GLN H H 1 8.18 . . . . . . . . 29 GLN H . 27836 1 106 . 1 . 1 29 29 GLN CA C 13 58.47 . . . . . . . . 29 GLN CA . 27836 1 107 . 1 . 1 29 29 GLN CB C 13 27.35 . . . . . . . . 29 GLN CB . 27836 1 108 . 1 . 1 29 29 GLN N N 15 118.99 . . . . . . . . 29 GLN N . 27836 1 109 . 1 . 1 30 30 ARG H H 1 8.15 . . . . . . . . 30 ARG H . 27836 1 110 . 1 . 1 30 30 ARG N N 15 121.12 . . . . . . . . 30 ARG N . 27836 1 111 . 1 . 1 31 31 ARG H H 1 8.18 . . . . . . . . 31 ARG H . 27836 1 112 . 1 . 1 31 31 ARG CA C 13 59.06 . . . . . . . . 31 ARG CA . 27836 1 113 . 1 . 1 31 31 ARG CB C 13 29.06 . . . . . . . . 31 ARG CB . 27836 1 114 . 1 . 1 31 31 ARG N N 15 119.71 . . . . . . . . 31 ARG N . 27836 1 115 . 1 . 1 32 32 ARG H H 1 8.20 . . . . . . . . 32 ARG H . 27836 1 116 . 1 . 1 32 32 ARG CA C 13 58.86 . . . . . . . . 32 ARG CA . 27836 1 117 . 1 . 1 32 32 ARG CB C 13 29.12 . . . . . . . . 32 ARG CB . 27836 1 118 . 1 . 1 32 32 ARG N N 15 119.43 . . . . . . . . 32 ARG N . 27836 1 119 . 1 . 1 33 33 LYS H H 1 8.03 . . . . . . . . 33 LYS H . 27836 1 120 . 1 . 1 33 33 LYS CA C 13 58.75 . . . . . . . . 33 LYS CA . 27836 1 121 . 1 . 1 33 33 LYS CB C 13 31.18 . . . . . . . . 33 LYS CB . 27836 1 122 . 1 . 1 33 33 LYS N N 15 120.87 . . . . . . . . 33 LYS N . 27836 1 123 . 1 . 1 34 34 GLU H H 1 8.29 . . . . . . . . 34 GLU H . 27836 1 124 . 1 . 1 34 34 GLU CA C 13 58.92 . . . . . . . . 34 GLU CA . 27836 1 125 . 1 . 1 34 34 GLU CB C 13 28.63 . . . . . . . . 34 GLU CB . 27836 1 126 . 1 . 1 34 34 GLU N N 15 119.59 . . . . . . . . 34 GLU N . 27836 1 127 . 1 . 1 35 35 GLU H H 1 8.22 . . . . . . . . 35 GLU H . 27836 1 128 . 1 . 1 35 35 GLU CA C 13 58.79 . . . . . . . . 35 GLU CA . 27836 1 129 . 1 . 1 35 35 GLU CB C 13 28.52 . . . . . . . . 35 GLU CB . 27836 1 130 . 1 . 1 35 35 GLU N N 15 120.36 . . . . . . . . 35 GLU N . 27836 1 131 . 1 . 1 36 36 GLU H H 1 8.19 . . . . . . . . 36 GLU H . 27836 1 132 . 1 . 1 36 36 GLU CA C 13 58.81 . . . . . . . . 36 GLU CA . 27836 1 133 . 1 . 1 36 36 GLU CB C 13 28.67 . . . . . . . . 36 GLU CB . 27836 1 134 . 1 . 1 36 36 GLU N N 15 121.06 . . . . . . . . 36 GLU N . 27836 1 135 . 1 . 1 37 37 GLU H H 1 8.31 . . . . . . . . 37 GLU H . 27836 1 136 . 1 . 1 37 37 GLU CA C 13 59.05 . . . . . . . . 37 GLU CA . 27836 1 137 . 1 . 1 37 37 GLU CB C 13 28.65 . . . . . . . . 37 GLU CB . 27836 1 138 . 1 . 1 37 37 GLU N N 15 119.84 . . . . . . . . 37 GLU N . 27836 1 139 . 1 . 1 38 38 ARG H H 1 8.07 . . . . . . . . 38 ARG H . 27836 1 140 . 1 . 1 38 38 ARG CA C 13 59.13 . . . . . . . . 38 ARG CA . 27836 1 141 . 1 . 1 38 38 ARG CB C 13 29.05 . . . . . . . . 38 ARG CB . 27836 1 142 . 1 . 1 38 38 ARG N N 15 120.34 . . . . . . . . 38 ARG N . 27836 1 143 . 1 . 1 39 39 ARG H H 1 8.17 . . . . . . . . 39 ARG H . 27836 1 144 . 1 . 1 39 39 ARG N N 15 119.78 . . . . . . . . 39 ARG N . 27836 1 145 . 1 . 1 40 40 MET H H 1 8.33 . . . . . . . . 40 MET H . 27836 1 146 . 1 . 1 40 40 MET N N 15 118.77 . . . . . . . . 40 MET N . 27836 1 147 . 1 . 1 41 41 LYS H H 1 8.07 . . . . . . . . 41 LYS H . 27836 1 148 . 1 . 1 41 41 LYS N N 15 120.65 . . . . . . . . 41 LYS N . 27836 1 149 . 1 . 1 42 42 LEU H H 1 7.99 . . . . . . . . 42 LEU H . 27836 1 150 . 1 . 1 42 42 LEU CA C 13 57.54 . . . . . . . . 42 LEU CA . 27836 1 151 . 1 . 1 42 42 LEU CB C 13 40.71 . . . . . . . . 42 LEU CB . 27836 1 152 . 1 . 1 42 42 LEU N N 15 120.13 . . . . . . . . 42 LEU N . 27836 1 153 . 1 . 1 43 43 GLU H H 1 8.27 . . . . . . . . 43 GLU H . 27836 1 154 . 1 . 1 43 43 GLU CA C 13 58.83 . . . . . . . . 43 GLU CA . 27836 1 155 . 1 . 1 43 43 GLU CB C 13 28.71 . . . . . . . . 43 GLU CB . 27836 1 156 . 1 . 1 43 43 GLU N N 15 120.90 . . . . . . . . 43 GLU N . 27836 1 157 . 1 . 1 44 44 MET H H 1 8.32 . . . . . . . . 44 MET H . 27836 1 158 . 1 . 1 44 44 MET CA C 13 59.14 . . . . . . . . 44 MET CA . 27836 1 159 . 1 . 1 44 44 MET CB C 13 31.45 . . . . . . . . 44 MET CB . 27836 1 160 . 1 . 1 44 44 MET N N 15 119.53 . . . . . . . . 44 MET N . 27836 1 161 . 1 . 1 45 45 GLU H H 1 8.21 . . . . . . . . 45 GLU H . 27836 1 162 . 1 . 1 45 45 GLU CA C 13 58.56 . . . . . . . . 45 GLU CA . 27836 1 163 . 1 . 1 45 45 GLU CB C 13 28.60 . . . . . . . . 45 GLU CB . 27836 1 164 . 1 . 1 45 45 GLU N N 15 120.73 . . . . . . . . 45 GLU N . 27836 1 165 . 1 . 1 46 46 ALA H H 1 8.09 . . . . . . . . 46 ALA H . 27836 1 166 . 1 . 1 46 46 ALA CA C 13 54.44 . . . . . . . . 46 ALA CA . 27836 1 167 . 1 . 1 46 46 ALA CB C 13 17.18 . . . . . . . . 46 ALA CB . 27836 1 168 . 1 . 1 46 46 ALA N N 15 122.50 . . . . . . . . 46 ALA N . 27836 1 169 . 1 . 1 47 47 LYS H H 1 8.03 . . . . . . . . 47 LYS H . 27836 1 170 . 1 . 1 47 47 LYS CA C 13 58.46 . . . . . . . . 47 LYS CA . 27836 1 171 . 1 . 1 47 47 LYS CB C 13 31.40 . . . . . . . . 47 LYS CB . 27836 1 172 . 1 . 1 47 47 LYS N N 15 119.93 . . . . . . . . 47 LYS N . 27836 1 173 . 1 . 1 48 48 ARG H H 1 8.06 . . . . . . . . 48 ARG H . 27836 1 174 . 1 . 1 48 48 ARG CA C 13 58.49 . . . . . . . . 48 ARG CA . 27836 1 175 . 1 . 1 48 48 ARG CB C 13 28.99 . . . . . . . . 48 ARG CB . 27836 1 176 . 1 . 1 48 48 ARG N N 15 120.05 . . . . . . . . 48 ARG N . 27836 1 177 . 1 . 1 49 49 LYS H H 1 8.12 . . . . . . . . 49 LYS H . 27836 1 178 . 1 . 1 49 49 LYS CA C 13 58.61 . . . . . . . . 49 LYS CA . 27836 1 179 . 1 . 1 49 49 LYS CB C 13 31.39 . . . . . . . . 49 LYS CB . 27836 1 180 . 1 . 1 49 49 LYS N N 15 119.76 . . . . . . . . 49 LYS N . 27836 1 181 . 1 . 1 50 50 GLN H H 1 7.98 . . . . . . . . 50 GLN H . 27836 1 182 . 1 . 1 50 50 GLN CA C 13 58.48 . . . . . . . . 50 GLN CA . 27836 1 183 . 1 . 1 50 50 GLN CB C 13 27.32 . . . . . . . . 50 GLN CB . 27836 1 184 . 1 . 1 50 50 GLN N N 15 119.68 . . . . . . . . 50 GLN N . 27836 1 185 . 1 . 1 51 51 GLU H H 1 8.31 . . . . . . . . 51 GLU H . 27836 1 186 . 1 . 1 51 51 GLU CA C 13 58.68 . . . . . . . . 51 GLU CA . 27836 1 187 . 1 . 1 51 51 GLU CB C 13 28.62 . . . . . . . . 51 GLU CB . 27836 1 188 . 1 . 1 51 51 GLU N N 15 119.70 . . . . . . . . 51 GLU N . 27836 1 189 . 1 . 1 52 52 GLU H H 1 8.19 . . . . . . . . 52 GLU H . 27836 1 190 . 1 . 1 52 52 GLU CA C 13 58.55 . . . . . . . . 52 GLU CA . 27836 1 191 . 1 . 1 52 52 GLU CB C 13 28.73 . . . . . . . . 52 GLU CB . 27836 1 192 . 1 . 1 52 52 GLU N N 15 120.43 . . . . . . . . 52 GLU N . 27836 1 193 . 1 . 1 53 53 GLU H H 1 8.21 . . . . . . . . 53 GLU H . 27836 1 194 . 1 . 1 53 53 GLU CA C 13 58.59 . . . . . . . . 53 GLU CA . 27836 1 195 . 1 . 1 53 53 GLU CB C 13 28.71 . . . . . . . . 53 GLU CB . 27836 1 196 . 1 . 1 53 53 GLU N N 15 120.13 . . . . . . . . 53 GLU N . 27836 1 197 . 1 . 1 54 54 GLU H H 1 8.26 . . . . . . . . 54 GLU H . 27836 1 198 . 1 . 1 54 54 GLU CA C 13 58.42 . . . . . . . . 54 GLU CA . 27836 1 199 . 1 . 1 54 54 GLU CB C 13 28.67 . . . . . . . . 54 GLU CB . 27836 1 200 . 1 . 1 54 54 GLU N N 15 119.83 . . . . . . . . 54 GLU N . 27836 1 201 . 1 . 1 55 55 ARG H H 1 8.07 . . . . . . . . 55 ARG H . 27836 1 202 . 1 . 1 55 55 ARG N N 15 120.59 . . . . . . . . 55 ARG N . 27836 1 203 . 1 . 1 56 56 LYS H H 1 8.01 . . . . . . . . 56 LYS H . 27836 1 204 . 1 . 1 56 56 LYS CA C 13 58.13 . . . . . . . . 56 LYS CA . 27836 1 205 . 1 . 1 56 56 LYS CB C 13 31.52 . . . . . . . . 56 LYS CB . 27836 1 206 . 1 . 1 56 56 LYS N N 15 119.58 . . . . . . . . 56 LYS N . 27836 1 207 . 1 . 1 57 57 LYS H H 1 7.83 . . . . . . . . 57 LYS H . 27836 1 208 . 1 . 1 57 57 LYS CA C 13 57.98 . . . . . . . . 57 LYS CA . 27836 1 209 . 1 . 1 57 57 LYS CB C 13 31.57 . . . . . . . . 57 LYS CB . 27836 1 210 . 1 . 1 57 57 LYS N N 15 119.30 . . . . . . . . 57 LYS N . 27836 1 211 . 1 . 1 58 58 ARG H H 1 7.89 . . . . . . . . 58 ARG H . 27836 1 212 . 1 . 1 58 58 ARG N N 15 118.95 . . . . . . . . 58 ARG N . 27836 1 213 . 1 . 1 59 59 GLU H H 1 8.22 . . . . . . . . 59 GLU H . 27836 1 214 . 1 . 1 59 59 GLU CA C 13 57.70 . . . . . . . . 59 GLU CA . 27836 1 215 . 1 . 1 59 59 GLU CB C 13 29.04 . . . . . . . . 59 GLU CB . 27836 1 216 . 1 . 1 59 59 GLU N N 15 119.78 . . . . . . . . 59 GLU N . 27836 1 217 . 1 . 1 60 60 ASP H H 1 8.35 . . . . . . . . 60 ASP H . 27836 1 218 . 1 . 1 60 60 ASP CA C 13 55.49 . . . . . . . . 60 ASP CA . 27836 1 219 . 1 . 1 60 60 ASP CB C 13 40.27 . . . . . . . . 60 ASP CB . 27836 1 220 . 1 . 1 60 60 ASP N N 15 120.28 . . . . . . . . 60 ASP N . 27836 1 221 . 1 . 1 61 61 ASP H H 1 8.28 . . . . . . . . 61 ASP H . 27836 1 222 . 1 . 1 61 61 ASP CA C 13 55.54 . . . . . . . . 61 ASP CA . 27836 1 223 . 1 . 1 61 61 ASP CB C 13 40.27 . . . . . . . . 61 ASP CB . 27836 1 224 . 1 . 1 61 61 ASP N N 15 120.62 . . . . . . . . 61 ASP N . 27836 1 225 . 1 . 1 62 62 GLU H H 1 8.10 . . . . . . . . 62 GLU H . 27836 1 226 . 1 . 1 62 62 GLU CA C 13 57.32 . . . . . . . . 62 GLU CA . 27836 1 227 . 1 . 1 62 62 GLU CB C 13 29.05 . . . . . . . . 62 GLU CB . 27836 1 228 . 1 . 1 62 62 GLU N N 15 119.64 . . . . . . . . 62 GLU N . 27836 1 229 . 1 . 1 63 63 LYS H H 1 7.90 . . . . . . . . 63 LYS H . 27836 1 230 . 1 . 1 63 63 LYS CA C 13 56.46 . . . . . . . . 63 LYS CA . 27836 1 231 . 1 . 1 63 63 LYS CB C 13 31.55 . . . . . . . . 63 LYS CB . 27836 1 232 . 1 . 1 63 63 LYS N N 15 119.18 . . . . . . . . 63 LYS N . 27836 1 233 . 1 . 1 64 64 ARG H H 1 7.89 . . . . . . . . 64 ARG H . 27836 1 234 . 1 . 1 64 64 ARG CA C 13 56.33 . . . . . . . . 64 ARG CA . 27836 1 235 . 1 . 1 64 64 ARG CB C 13 29.64 . . . . . . . . 64 ARG CB . 27836 1 236 . 1 . 1 64 64 ARG N N 15 120.44 . . . . . . . . 64 ARG N . 27836 1 237 . 1 . 1 65 65 ILE H H 1 8.02 . . . . . . . . 65 ILE H . 27836 1 238 . 1 . 1 65 65 ILE CA C 13 61.05 . . . . . . . . 65 ILE CA . 27836 1 239 . 1 . 1 65 65 ILE CB C 13 37.59 . . . . . . . . 65 ILE CB . 27836 1 240 . 1 . 1 65 65 ILE N N 15 120.95 . . . . . . . . 65 ILE N . 27836 1 241 . 1 . 1 66 66 GLN H H 1 8.28 . . . . . . . . 66 GLN H . 27836 1 242 . 1 . 1 66 66 GLN CA C 13 55.31 . . . . . . . . 66 GLN CA . 27836 1 243 . 1 . 1 66 66 GLN CB C 13 28.68 . . . . . . . . 66 GLN CB . 27836 1 244 . 1 . 1 66 66 GLN N N 15 123.61 . . . . . . . . 66 GLN N . 27836 1 245 . 1 . 1 67 67 ALA H H 1 8.23 . . . . . . . . 67 ALA H . 27836 1 246 . 1 . 1 67 67 ALA CA C 13 52.04 . . . . . . . . 67 ALA CA . 27836 1 247 . 1 . 1 67 67 ALA CB C 13 18.68 . . . . . . . . 67 ALA CB . 27836 1 248 . 1 . 1 67 67 ALA N N 15 125.85 . . . . . . . . 67 ALA N . 27836 1 249 . 1 . 1 68 68 GLU H H 1 7.95 . . . . . . . . 68 GLU H . 27836 1 250 . 1 . 1 68 68 GLU CA C 13 57.54 . . . . . . . . 68 GLU CA . 27836 1 251 . 1 . 1 68 68 GLU CB C 13 30.36 . . . . . . . . 68 GLU CB . 27836 1 252 . 1 . 1 68 68 GLU N N 15 125.34 . . . . . . . . 68 GLU N . 27836 1 stop_ save_