################################### # 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 11000 _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 HACACB' . . . 11000 1 2 '3D HA(CO)CACB' . . . 11000 1 3 '3D HAHBCONH' . . . 11000 1 4 '3D HCCONH' . . . 11000 1 5 '3D 15N-edited NOESY' . . . 11000 1 6 '3D 13C-edited NOESY' . . . 11000 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 ILE H H 1 7.15 0.01 . 1 . . . . 88 ILE H . 11000 1 2 . 1 1 1 1 ILE CA C 13 60.71 0.2 . 1 . . . . 88 ILE CA . 11000 1 3 . 1 1 1 1 ILE CB C 13 36.00 0.2 . 1 . . . . 88 ILE CB . 11000 1 4 . 1 1 1 1 ILE N N 15 120.87 0.2 . 1 . . . . 88 ILE N . 11000 1 5 . 1 1 2 2 ASP H H 1 11.13 0.01 . 1 . . . . 89 ASP H . 11000 1 6 . 1 1 2 2 ASP CA C 13 50.02 0.2 . 1 . . . . 89 ASP CA . 11000 1 7 . 1 1 2 2 ASP CB C 13 38.22 0.2 . 1 . . . . 89 ASP CB . 11000 1 8 . 1 1 2 2 ASP N N 15 131.34 0.2 . 1 . . . . 89 ASP N . 11000 1 9 . 1 1 3 3 VAL H H 1 8.85 0.01 . 1 . . . . 90 VAL H . 11000 1 10 . 1 1 3 3 VAL CA C 13 63.92 0.2 . 1 . . . . 90 VAL CA . 11000 1 11 . 1 1 3 3 VAL CB C 13 29.32 0.2 . 1 . . . . 90 VAL CB . 11000 1 12 . 1 1 3 3 VAL N N 15 128.97 0.2 . 1 . . . . 90 VAL N . 11000 1 13 . 1 1 4 4 LEU H H 1 8.19 0.01 . 1 . . . . 91 LEU H . 11000 1 14 . 1 1 4 4 LEU CA C 13 55.58 0.2 . 1 . . . . 91 LEU CA . 11000 1 15 . 1 1 4 4 LEU CB C 13 37.84 0.2 . 1 . . . . 91 LEU CB . 11000 1 16 . 1 1 4 4 LEU N N 15 121.73 0.2 . 1 . . . . 91 LEU N . 11000 1 17 . 1 1 5 5 ARG H H 1 7.99 0.01 . 1 . . . . 92 ARG H . 11000 1 18 . 1 1 5 5 ARG CA C 13 56.13 0.2 . 1 . . . . 92 ARG CA . 11000 1 19 . 1 1 5 5 ARG CB C 13 28.14 0.2 . 1 . . . . 92 ARG CB . 11000 1 20 . 1 1 5 5 ARG N N 15 122.25 0.2 . 1 . . . . 92 ARG N . 11000 1 21 . 1 1 6 6 ALA H H 1 8.08 0.01 . 1 . . . . 93 ALA H . 11000 1 22 . 1 1 6 6 ALA CA C 13 52.50 0.2 . 1 . . . . 93 ALA CA . 11000 1 23 . 1 1 6 6 ALA CB C 13 13.41 0.2 . 1 . . . . 93 ALA CB . 11000 1 24 . 1 1 6 6 ALA N N 15 122.06 0.2 . 1 . . . . 93 ALA N . 11000 1 25 . 1 1 7 7 LYS H H 1 8.85 0.01 . 1 . . . . 94 LYS H . 11000 1 26 . 1 1 7 7 LYS CA C 13 57.89 0.2 . 1 . . . . 94 LYS CA . 11000 1 27 . 1 1 7 7 LYS CB C 13 29.91 0.2 . 1 . . . . 94 LYS CB . 11000 1 28 . 1 1 7 7 LYS N N 15 119.56 0.2 . 1 . . . . 94 LYS N . 11000 1 29 . 1 1 8 8 ALA H H 1 8.09 0.01 . 1 . . . . 95 ALA H . 11000 1 30 . 1 1 8 8 ALA CA C 13 52.60 0.2 . 1 . . . . 95 ALA CA . 11000 1 31 . 1 1 8 8 ALA CB C 13 14.49 0.2 . 1 . . . . 95 ALA CB . 11000 1 32 . 1 1 8 8 ALA N N 15 122.06 0.2 . 1 . . . . 95 ALA N . 11000 1 33 . 1 1 9 9 ALA CA C 13 52.68 0.2 . 1 . . . . 96 ALA CA . 11000 1 34 . 1 1 9 9 ALA CB C 13 14.61 0.2 . 1 . . . . 96 ALA CB . 11000 1 35 . 1 1 10 10 LYS H H 1 8.43 0.01 . 1 . . . . 97 LYS H . 11000 1 36 . 1 1 10 10 LYS CA C 13 56.59 0.2 . 1 . . . . 97 LYS CA . 11000 1 37 . 1 1 10 10 LYS CB C 13 30.44 0.2 . 1 . . . . 97 LYS CB . 11000 1 38 . 1 1 10 10 LYS N N 15 120.57 0.2 . 1 . . . . 97 LYS N . 11000 1 39 . 1 1 11 11 GLU H H 1 8.12 0.01 . 1 . . . . 98 GLU H . 11000 1 40 . 1 1 11 11 GLU CA C 13 56.88 0.2 . 1 . . . . 98 GLU CA . 11000 1 41 . 1 1 11 11 GLU CB C 13 26.80 0.2 . 1 . . . . 98 GLU CB . 11000 1 42 . 1 1 11 11 GLU N N 15 118.07 0.2 . 1 . . . . 98 GLU N . 11000 1 43 . 1 1 12 12 ARG H H 1 8.35 0.01 . 1 . . . . 99 ARG H . 11000 1 44 . 1 1 12 12 ARG CA C 13 57.72 0.2 . 1 . . . . 99 ARG CA . 11000 1 45 . 1 1 12 12 ARG CB C 13 28.93 0.2 . 1 . . . . 99 ARG CB . 11000 1 46 . 1 1 12 12 ARG N N 15 117.66 0.2 . 1 . . . . 99 ARG N . 11000 1 47 . 1 1 13 13 ALA H H 1 8.61 0.01 . 1 . . . . 100 ALA H . 11000 1 48 . 1 1 13 13 ALA CA C 13 52.49 0.2 . 1 . . . . 100 ALA CA . 11000 1 49 . 1 1 13 13 ALA CB C 13 14.80 0.2 . 1 . . . . 100 ALA CB . 11000 1 50 . 1 1 13 13 ALA N N 15 116.47 0.2 . 1 . . . . 100 ALA N . 11000 1 51 . 1 1 14 14 GLU H H 1 8.80 0.01 . 1 . . . . 101 GLU H . 11000 1 52 . 1 1 14 14 GLU CA C 13 57.29 0.2 . 1 . . . . 101 GLU CA . 11000 1 53 . 1 1 14 14 GLU CB C 13 27.24 0.2 . 1 . . . . 101 GLU CB . 11000 1 54 . 1 1 14 14 GLU N N 15 116.78 0.2 . 1 . . . . 101 GLU N . 11000 1 55 . 1 1 15 15 ARG H H 1 7.90 0.01 . 1 . . . . 102 ARG H . 11000 1 56 . 1 1 15 15 ARG CA C 13 56.61 0.2 . 1 . . . . 102 ARG CA . 11000 1 57 . 1 1 15 15 ARG CB C 13 27.25 0.2 . 1 . . . . 102 ARG CB . 11000 1 58 . 1 1 15 15 ARG N N 15 117.42 0.2 . 1 . . . . 102 ARG N . 11000 1 59 . 1 1 16 16 ARG H H 1 7.70 0.01 . 1 . . . . 103 ARG H . 11000 1 60 . 1 1 16 16 ARG CA C 13 57.74 0.2 . 1 . . . . 103 ARG CA . 11000 1 61 . 1 1 16 16 ARG CB C 13 27.11 0.2 . 1 . . . . 103 ARG CB . 11000 1 62 . 1 1 16 16 ARG N N 15 119.47 0.2 . 1 . . . . 103 ARG N . 11000 1 63 . 1 1 17 17 LEU H H 1 8.44 0.01 . 1 . . . . 104 LEU H . 11000 1 64 . 1 1 17 17 LEU CA C 13 55.16 0.2 . 1 . . . . 104 LEU CA . 11000 1 65 . 1 1 17 17 LEU CB C 13 39.14 0.2 . 1 . . . . 104 LEU CB . 11000 1 66 . 1 1 17 17 LEU N N 15 117.67 0.2 . 1 . . . . 104 LEU N . 11000 1 67 . 1 1 18 18 GLN H H 1 7.54 0.01 . 1 . . . . 105 GLN H . 11000 1 68 . 1 1 18 18 GLN CA C 13 53.08 0.2 . 1 . . . . 105 GLN CA . 11000 1 69 . 1 1 18 18 GLN CB C 13 26.56 0.2 . 1 . . . . 105 GLN CB . 11000 1 70 . 1 1 18 18 GLN N N 15 115.43 0.2 . 1 . . . . 105 GLN N . 11000 1 71 . 1 1 19 19 SER H H 1 7.66 0.01 . 1 . . . . 106 SER H . 11000 1 72 . 1 1 19 19 SER CA C 13 56.46 0.2 . 1 . . . . 106 SER CA . 11000 1 73 . 1 1 19 19 SER CB C 13 61.55 0.2 . 1 . . . . 106 SER CB . 11000 1 74 . 1 1 19 19 SER N N 15 115.30 0.2 . 1 . . . . 106 SER N . 11000 1 75 . 1 1 20 20 GLN H H 1 8.54 0.01 . 1 . . . . 107 GLN H . 11000 1 76 . 1 1 20 20 GLN CA C 13 53.31 0.2 . 1 . . . . 107 GLN CA . 11000 1 77 . 1 1 20 20 GLN CB C 13 25.89 0.2 . 1 . . . . 107 GLN CB . 11000 1 78 . 1 1 20 20 GLN N N 15 120.05 0.2 . 1 . . . . 107 GLN N . 11000 1 79 . 1 1 21 21 GLN H H 1 8.32 0.01 . 1 . . . . 108 GLN H . 11000 1 80 . 1 1 21 21 GLN CA C 13 53.70 0.2 . 1 . . . . 108 GLN CA . 11000 1 81 . 1 1 21 21 GLN CB C 13 26.58 0.2 . 1 . . . . 108 GLN CB . 11000 1 82 . 1 1 21 21 GLN N N 15 120.53 0.2 . 1 . . . . 108 GLN N . 11000 1 83 . 1 1 22 22 ASP H H 1 8.32 0.01 . 1 . . . . 109 ASP H . 11000 1 84 . 1 1 22 22 ASP CA C 13 52.33 0.2 . 1 . . . . 109 ASP CA . 11000 1 85 . 1 1 22 22 ASP CB C 13 38.66 0.2 . 1 . . . . 109 ASP CB . 11000 1 86 . 1 1 22 22 ASP N N 15 121.14 0.2 . 1 . . . . 109 ASP N . 11000 1 87 . 1 1 23 23 ASP H H 1 8.19 0.01 . 1 . . . . 110 ASP H . 11000 1 88 . 1 1 23 23 ASP CA C 13 52.44 0.2 . 1 . . . . 110 ASP CA . 11000 1 89 . 1 1 23 23 ASP CB C 13 38.51 0.2 . 1 . . . . 110 ASP CB . 11000 1 90 . 1 1 23 23 ASP N N 15 120.58 0.2 . 1 . . . . 110 ASP N . 11000 1 91 . 1 1 24 24 ILE H H 1 8.01 0.01 . 1 . . . . 111 ILE H . 11000 1 92 . 1 1 24 24 ILE CA C 13 59.12 0.2 . 1 . . . . 111 ILE CA . 11000 1 93 . 1 1 24 24 ILE CB C 13 36.08 0.2 . 1 . . . . 111 ILE CB . 11000 1 94 . 1 1 24 24 ILE N N 15 120.36 0.2 . 1 . . . . 111 ILE N . 11000 1 95 . 1 1 25 25 ASP H H 1 8.31 0.01 . 1 . . . . 112 ASP H . 11000 1 96 . 1 1 25 25 ASP CA C 13 52.66 0.2 . 1 . . . . 112 ASP CA . 11000 1 97 . 1 1 25 25 ASP CB C 13 38.32 0.2 . 1 . . . . 112 ASP CB . 11000 1 98 . 1 1 25 25 ASP N N 15 122.20 0.2 . 1 . . . . 112 ASP N . 11000 1 99 . 1 1 26 26 PHE H H 1 8.08 0.01 . 1 . . . . 113 PHE H . 11000 1 100 . 1 1 26 26 PHE CA C 13 55.73 0.2 . 1 . . . . 113 PHE CA . 11000 1 101 . 1 1 26 26 PHE CB C 13 36.63 0.2 . 1 . . . . 113 PHE CB . 11000 1 102 . 1 1 26 26 PHE N N 15 120.80 0.2 . 1 . . . . 113 PHE N . 11000 1 103 . 1 1 28 28 ARG H H 1 7.81 0.01 . 1 . . . . 115 ARG H . 11000 1 104 . 1 1 28 28 ARG CA C 13 56.43 0.2 . 1 . . . . 115 ARG CA . 11000 1 105 . 1 1 28 28 ARG CB C 13 28.64 0.2 . 1 . . . . 115 ARG CB . 11000 1 106 . 1 1 28 28 ARG N N 15 120.45 0.2 . 1 . . . . 115 ARG N . 11000 1 107 . 1 1 29 29 ALA H H 1 7.82 0.01 . 1 . . . . 116 ALA H . 11000 1 108 . 1 1 29 29 ALA CA C 13 52.18 0.2 . 1 . . . . 116 ALA CA . 11000 1 109 . 1 1 29 29 ALA CB C 13 13.31 0.2 . 1 . . . . 116 ALA CB . 11000 1 110 . 1 1 29 29 ALA N N 15 122.16 0.2 . 1 . . . . 116 ALA N . 11000 1 111 . 1 1 30 30 GLU H H 1 8.70 0.01 . 1 . . . . 117 GLU H . 11000 1 112 . 1 1 30 30 GLU CA C 13 57.49 0.2 . 1 . . . . 117 GLU CA . 11000 1 113 . 1 1 30 30 GLU CB C 13 27.24 0.2 . 1 . . . . 117 GLU CB . 11000 1 114 . 1 1 30 30 GLU N N 15 119.69 0.2 . 1 . . . . 117 GLU N . 11000 1 115 . 1 1 31 31 LEU H H 1 8.13 0.01 . 1 . . . . 118 LEU H . 11000 1 116 . 1 1 31 31 LEU CA C 13 55.32 0.2 . 1 . . . . 118 LEU CA . 11000 1 117 . 1 1 31 31 LEU CB C 13 38.78 0.2 . 1 . . . . 118 LEU CB . 11000 1 118 . 1 1 31 31 LEU N N 15 119.77 0.2 . 1 . . . . 118 LEU N . 11000 1 119 . 1 1 32 32 ALA H H 1 8.07 0.01 . 1 . . . . 119 ALA H . 11000 1 120 . 1 1 32 32 ALA CA C 13 53.22 0.2 . 1 . . . . 119 ALA CA . 11000 1 121 . 1 1 32 32 ALA CB C 13 14.29 0.2 . 1 . . . . 119 ALA CB . 11000 1 122 . 1 1 32 32 ALA N N 15 122.86 0.2 . 1 . . . . 119 ALA N . 11000 1 123 . 1 1 33 33 LEU H H 1 8.47 0.01 . 1 . . . . 120 LEU H . 11000 1 124 . 1 1 33 33 LEU CA C 13 55.35 0.2 . 1 . . . . 120 LEU CA . 11000 1 125 . 1 1 33 33 LEU CB C 13 38.64 0.2 . 1 . . . . 120 LEU CB . 11000 1 126 . 1 1 33 33 LEU N N 15 119.89 0.2 . 1 . . . . 120 LEU N . 11000 1 127 . 1 1 34 34 LYS H H 1 8.40 0.01 . 1 . . . . 121 LYS H . 11000 1 128 . 1 1 34 34 LYS CA C 13 57.51 0.2 . 1 . . . . 121 LYS CA . 11000 1 129 . 1 1 34 34 LYS CB C 13 30.44 0.2 . 1 . . . . 121 LYS CB . 11000 1 130 . 1 1 34 34 LYS N N 15 119.21 0.2 . 1 . . . . 121 LYS N . 11000 1 131 . 1 1 35 35 ARG H H 1 8.89 0.01 . 1 . . . . 122 ARG H . 11000 1 132 . 1 1 35 35 ARG CA C 13 57.73 0.2 . 1 . . . . 122 ARG CA . 11000 1 133 . 1 1 35 35 ARG CB C 13 28.17 0.2 . 1 . . . . 122 ARG CB . 11000 1 134 . 1 1 35 35 ARG N N 15 118.73 0.2 . 1 . . . . 122 ARG N . 11000 1 135 . 1 1 36 36 ALA H H 1 7.96 0.01 . 1 . . . . 123 ALA H . 11000 1 136 . 1 1 36 36 ALA CA C 13 52.51 0.2 . 1 . . . . 123 ALA CA . 11000 1 137 . 1 1 36 36 ALA CB C 13 14.70 0.2 . 1 . . . . 123 ALA CB . 11000 1 138 . 1 1 36 36 ALA N N 15 122.71 0.2 . 1 . . . . 123 ALA N . 11000 1 139 . 1 1 37 37 MET H H 1 9.04 0.01 . 1 . . . . 124 MET H . 11000 1 140 . 1 1 37 37 MET CA C 13 55.77 0.2 . 1 . . . . 124 MET CA . 11000 1 141 . 1 1 37 37 MET CB C 13 29.31 0.2 . 1 . . . . 124 MET CB . 11000 1 142 . 1 1 37 37 MET N N 15 115.59 0.2 . 1 . . . . 124 MET N . 11000 1 143 . 1 1 38 38 ASN H H 1 8.10 0.01 . 1 . . . . 125 ASN H . 11000 1 144 . 1 1 38 38 ASN CA C 13 53.90 0.2 . 1 . . . . 125 ASN CA . 11000 1 145 . 1 1 38 38 ASN CB C 13 37.17 0.2 . 1 . . . . 125 ASN CB . 11000 1 146 . 1 1 38 38 ASN N N 15 118.10 0.2 . 1 . . . . 125 ASN N . 11000 1 147 . 1 1 39 39 ARG H H 1 7.68 0.01 . 1 . . . . 126 ARG H . 11000 1 148 . 1 1 39 39 ARG CA C 13 58.46 0.2 . 1 . . . . 126 ARG CA . 11000 1 149 . 1 1 39 39 ARG CB C 13 27.73 0.2 . 1 . . . . 126 ARG CB . 11000 1 150 . 1 1 39 39 ARG N N 15 117.71 0.2 . 1 . . . . 126 ARG N . 11000 1 151 . 1 1 40 40 LEU H H 1 8.42 0.01 . 1 . . . . 127 LEU H . 11000 1 152 . 1 1 40 40 LEU CA C 13 55.22 0.2 . 1 . . . . 127 LEU CA . 11000 1 153 . 1 1 40 40 LEU CB C 13 38.46 0.2 . 1 . . . . 127 LEU CB . 11000 1 154 . 1 1 40 40 LEU N N 15 117.71 0.2 . 1 . . . . 127 LEU N . 11000 1 155 . 1 1 41 41 SER H H 1 7.90 0.01 . 1 . . . . 128 SER H . 11000 1 156 . 1 1 41 41 SER CA C 13 58.57 0.2 . 1 . . . . 128 SER CA . 11000 1 157 . 1 1 41 41 SER CB C 13 60.22 0.2 . 1 . . . . 128 SER CB . 11000 1 158 . 1 1 41 41 SER N N 15 113.67 0.2 . 1 . . . . 128 SER N . 11000 1 159 . 1 1 42 42 VAL H H 1 8.38 0.01 . 1 . . . . 129 VAL H . 11000 1 160 . 1 1 42 42 VAL CA C 13 63.45 0.2 . 1 . . . . 129 VAL CA . 11000 1 161 . 1 1 42 42 VAL CB C 13 28.44 0.2 . 1 . . . . 129 VAL CB . 11000 1 162 . 1 1 42 42 VAL N N 15 122.21 0.2 . 1 . . . . 129 VAL N . 11000 1 163 . 1 1 43 43 ALA H H 1 8.31 0.01 . 1 . . . . 130 ALA H . 11000 1 164 . 1 1 43 43 ALA CA C 13 52.26 0.2 . 1 . . . . 130 ALA CA . 11000 1 165 . 1 1 43 43 ALA CB C 13 14.57 0.2 . 1 . . . . 130 ALA CB . 11000 1 166 . 1 1 43 43 ALA N N 15 119.74 0.2 . 1 . . . . 130 ALA N . 11000 1 167 . 1 1 44 44 GLU H H 1 6.99 0.01 . 1 . . . . 131 GLU H . 11000 1 168 . 1 1 44 44 GLU CA C 13 53.93 0.2 . 1 . . . . 131 GLU CA . 11000 1 169 . 1 1 44 44 GLU CB C 13 27.59 0.2 . 1 . . . . 131 GLU CB . 11000 1 170 . 1 1 44 44 GLU N N 15 112.89 0.2 . 1 . . . . 131 GLU N . 11000 1 171 . 1 1 45 45 MET H H 1 7.64 0.01 . 1 . . . . 132 MET H . 11000 1 172 . 1 1 45 45 MET CA C 13 52.83 0.2 . 1 . . . . 132 MET CA . 11000 1 173 . 1 1 45 45 MET CB C 13 27.99 0.2 . 1 . . . . 132 MET CB . 11000 1 174 . 1 1 45 45 MET N N 15 124.08 0.2 . 1 . . . . 132 MET N . 11000 1 175 . 1 1 46 46 LYS H H 1 7.28 0.01 . 1 . . . . 133 LYS H . 11000 1 176 . 1 1 46 46 LYS CA C 13 55.21 0.2 . 1 . . . . 133 LYS CA . 11000 1 177 . 1 1 46 46 LYS CB C 13 31.08 0.2 . 1 . . . . 133 LYS CB . 11000 1 178 . 1 1 46 46 LYS N N 15 124.08 0.2 . 1 . . . . 133 LYS N . 11000 1 stop_ save_