################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50257 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'shifts 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 $chem_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' . . . 50257 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 $software_1 . . 50257 1 2 $software_2 . . 50257 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 6 6 GLU H H 1 9.700 0.00 . . . . . . . 6 GLU H . 50257 1 2 . 1 . 1 6 6 GLU N N 15 129.244 0.00 . . . . . . . 6 GLU N . 50257 1 3 . 1 . 1 12 12 PHE H H 1 9.273 0.00 . . . . . . . 12 PHE H . 50257 1 4 . 1 . 1 12 12 PHE N N 15 124.215 0.00 . . . . . . . 12 PHE N . 50257 1 5 . 1 . 1 20 20 THR H H 1 7.449 0.00 . . . . . . . 20 THR H . 50257 1 6 . 1 . 1 20 20 THR N N 15 118.743 0.00 . . . . . . . 20 THR N . 50257 1 7 . 1 . 1 24 24 SER H H 1 7.641 0.00 . . . . . . . 24 SER H . 50257 1 8 . 1 . 1 24 24 SER N N 15 115.895 0.00 . . . . . . . 24 SER N . 50257 1 9 . 1 . 1 27 27 ASN H H 1 8.103 0.00 . . . . . . . 27 ASN H . 50257 1 10 . 1 . 1 27 27 ASN N N 15 114.646 0.00 . . . . . . . 27 ASN N . 50257 1 11 . 1 . 1 28 28 TYR H H 1 7.675 0.00 . . . . . . . 28 TYR H . 50257 1 12 . 1 . 1 28 28 TYR N N 15 117.462 0.00 . . . . . . . 28 TYR N . 50257 1 13 . 1 . 1 29 29 TYR H H 1 8.245 0.00 . . . . . . . 29 TYR H . 50257 1 14 . 1 . 1 29 29 TYR N N 15 116.052 0.00 . . . . . . . 29 TYR N . 50257 1 15 . 1 . 1 30 30 GLU H H 1 8.362 0.00 . . . . . . . 30 GLU H . 50257 1 16 . 1 . 1 30 30 GLU N N 15 117.700 0.00 . . . . . . . 30 GLU N . 50257 1 17 . 1 . 1 31 31 GLN H H 1 6.914 0.00 . . . . . . . 31 GLN H . 50257 1 18 . 1 . 1 31 31 GLN N N 15 116.941 0.00 . . . . . . . 31 GLN N . 50257 1 19 . 1 . 1 32 32 TRP H H 1 7.610 0.00 . . . . . . . 32 TRP H . 50257 1 20 . 1 . 1 32 32 TRP N N 15 115.988 0.00 . . . . . . . 32 TRP N . 50257 1 21 . 1 . 1 33 33 GLY H H 1 7.325 0.00 . . . . . . . 33 GLY H . 50257 1 22 . 1 . 1 33 33 GLY N N 15 105.309 0.00 . . . . . . . 33 GLY N . 50257 1 23 . 1 . 1 34 34 LYS H H 1 8.319 0.00 . . . . . . . 34 LYS H . 50257 1 24 . 1 . 1 34 34 LYS N N 15 119.831 0.00 . . . . . . . 34 LYS N . 50257 1 25 . 1 . 1 36 36 THR H H 1 9.046 0.00 . . . . . . . 36 THR H . 50257 1 26 . 1 . 1 36 36 THR N N 15 114.537 0.00 . . . . . . . 36 THR N . 50257 1 27 . 1 . 1 37 37 ASP H H 1 7.609 0.00 . . . . . . . 37 ASP H . 50257 1 28 . 1 . 1 37 37 ASP N N 15 119.017 0.00 . . . . . . . 37 ASP N . 50257 1 29 . 1 . 1 43 43 ASP H H 1 8.689 0.00 . . . . . . . 43 ASP H . 50257 1 30 . 1 . 1 43 43 ASP N N 15 124.930 0.00 . . . . . . . 43 ASP N . 50257 1 31 . 1 . 1 47 47 LYS H H 1 8.234 0.00 . . . . . . . 47 LYS H . 50257 1 32 . 1 . 1 47 47 LYS N N 15 116.456 0.00 . . . . . . . 47 LYS N . 50257 1 33 . 1 . 1 52 52 PHE H H 1 7.047 0.00 . . . . . . . 52 PHE H . 50257 1 34 . 1 . 1 52 52 PHE N N 15 112.337 0.00 . . . . . . . 52 PHE N . 50257 1 35 . 1 . 1 56 56 THR H H 1 8.130 0.00 . . . . . . . 56 THR H . 50257 1 36 . 1 . 1 56 56 THR N N 15 119.881 0.00 . . . . . . . 56 THR N . 50257 1 37 . 1 . 1 57 57 PHE H H 1 8.846 0.00 . . . . . . . 57 PHE H . 50257 1 38 . 1 . 1 57 57 PHE N N 15 125.959 0.00 . . . . . . . 57 PHE N . 50257 1 39 . 1 . 1 58 58 SER H H 1 9.188 0.00 . . . . . . . 58 SER H . 50257 1 40 . 1 . 1 58 58 SER N N 15 116.820 0.00 . . . . . . . 58 SER N . 50257 1 41 . 1 . 1 59 59 SER H H 1 8.114 0.00 . . . . . . . 59 SER H . 50257 1 42 . 1 . 1 59 59 SER N N 15 114.267 0.00 . . . . . . . 59 SER N . 50257 1 43 . 1 . 1 62 62 GLU H H 1 7.377 0.00 . . . . . . . 62 GLU H . 50257 1 44 . 1 . 1 62 62 GLU N N 15 119.112 0.00 . . . . . . . 62 GLU N . 50257 1 45 . 1 . 1 63 63 VAL H H 1 6.735 0.00 . . . . . . . 63 VAL H . 50257 1 46 . 1 . 1 63 63 VAL N N 15 117.930 0.00 . . . . . . . 63 VAL N . 50257 1 47 . 1 . 1 65 65 ALA H H 1 7.670 0.00 . . . . . . . 65 ALA H . 50257 1 48 . 1 . 1 65 65 ALA N N 15 123.750 0.00 . . . . . . . 65 ALA N . 50257 1 49 . 1 . 1 66 66 ALA H H 1 7.723 0.00 . . . . . . . 66 ALA H . 50257 1 50 . 1 . 1 66 66 ALA N N 15 121.099 0.00 . . . . . . . 66 ALA N . 50257 1 51 . 1 . 1 67 67 MET H H 1 8.535 0.00 . . . . . . . 67 MET H . 50257 1 52 . 1 . 1 67 67 MET N N 15 115.679 0.00 . . . . . . . 67 MET N . 50257 1 53 . 1 . 1 68 68 ALA H H 1 7.785 0.00 . . . . . . . 68 ALA H . 50257 1 54 . 1 . 1 68 68 ALA N N 15 123.223 0.00 . . . . . . . 68 ALA N . 50257 1 55 . 1 . 1 69 69 ALA H H 1 7.055 0.00 . . . . . . . 69 ALA H . 50257 1 56 . 1 . 1 69 69 ALA N N 15 120.873 0.00 . . . . . . . 69 ALA N . 50257 1 57 . 1 . 1 70 70 ARG H H 1 6.548 0.00 . . . . . . . 70 ARG H . 50257 1 58 . 1 . 1 70 70 ARG N N 15 118.573 0.00 . . . . . . . 70 ARG N . 50257 1 59 . 1 . 1 73 73 SER H H 1 7.440 0.00 . . . . . . . 73 SER H . 50257 1 60 . 1 . 1 73 73 SER N N 15 116.139 0.00 . . . . . . . 73 SER N . 50257 1 61 . 1 . 1 75 75 ASP H H 1 9.296 0.00 . . . . . . . 75 ASP H . 50257 1 62 . 1 . 1 75 75 ASP N N 15 127.018 0.00 . . . . . . . 75 ASP N . 50257 1 63 . 1 . 1 76 76 GLY H H 1 8.471 0.00 . . . . . . . 76 GLY H . 50257 1 64 . 1 . 1 76 76 GLY N N 15 102.304 0.00 . . . . . . . 76 GLY N . 50257 1 65 . 1 . 1 77 77 ARG H H 1 7.474 0.00 . . . . . . . 77 ARG H . 50257 1 66 . 1 . 1 77 77 ARG N N 15 120.715 0.00 . . . . . . . 77 ARG N . 50257 1 67 . 1 . 1 78 78 VAL H H 1 8.304 0.00 . . . . . . . 78 VAL H . 50257 1 68 . 1 . 1 78 78 VAL N N 15 124.766 0.00 . . . . . . . 78 VAL N . 50257 1 69 . 1 . 1 79 79 VAL H H 1 8.049 0.00 . . . . . . . 79 VAL H . 50257 1 70 . 1 . 1 79 79 VAL N N 15 122.668 0.00 . . . . . . . 79 VAL N . 50257 1 71 . 1 . 1 80 80 GLU H H 1 8.569 0.00 . . . . . . . 80 GLU H . 50257 1 72 . 1 . 1 80 80 GLU N N 15 120.081 0.00 . . . . . . . 80 GLU N . 50257 1 73 . 1 . 1 82 82 LYS H H 1 9.676 0.00 . . . . . . . 82 LYS H . 50257 1 74 . 1 . 1 82 82 LYS N N 15 120.010 0.00 . . . . . . . 82 LYS N . 50257 1 75 . 1 . 1 88 88 GLU H H 1 8.246 0.00 . . . . . . . 88 GLU H . 50257 1 76 . 1 . 1 88 88 GLU N N 15 121.160 0.00 . . . . . . . 88 GLU N . 50257 1 77 . 1 . 1 90 90 SER H H 1 8.126 0.00 . . . . . . . 90 SER H . 50257 1 78 . 1 . 1 90 90 SER N N 15 116.070 0.00 . . . . . . . 90 SER N . 50257 1 79 . 1 . 1 102 102 LEU H H 1 9.362 0.00 . . . . . . . 102 LEU H . 50257 1 80 . 1 . 1 102 102 LEU N N 15 127.956 0.00 . . . . . . . 102 LEU N . 50257 1 81 . 1 . 1 103 103 PHE H H 1 9.215 0.00 . . . . . . . 103 PHE H . 50257 1 82 . 1 . 1 103 103 PHE N N 15 127.545 0.00 . . . . . . . 103 PHE N . 50257 1 83 . 1 . 1 104 104 VAL H H 1 7.878 0.00 . . . . . . . 104 VAL H . 50257 1 84 . 1 . 1 104 104 VAL N N 15 127.479 0.00 . . . . . . . 104 VAL N . 50257 1 85 . 1 . 1 105 105 GLY H H 1 9.020 0.00 . . . . . . . 105 GLY H . 50257 1 86 . 1 . 1 105 105 GLY N N 15 112.970 0.00 . . . . . . . 105 GLY N . 50257 1 87 . 1 . 1 113 113 GLU H H 1 9.436 0.00 . . . . . . . 113 GLU H . 50257 1 88 . 1 . 1 113 113 GLU N N 15 121.926 0.00 . . . . . . . 113 GLU N . 50257 1 89 . 1 . 1 114 114 HIS H H 1 8.165 0.00 . . . . . . . 114 HIS H . 50257 1 90 . 1 . 1 114 114 HIS N N 15 113.432 0.00 . . . . . . . 114 HIS N . 50257 1 91 . 1 . 1 115 115 HIS H H 1 6.560 0.00 . . . . . . . 115 HIS H . 50257 1 92 . 1 . 1 115 115 HIS N N 15 118.200 0.00 . . . . . . . 115 HIS N . 50257 1 93 . 1 . 1 116 116 LEU H H 1 7.149 0.00 . . . . . . . 116 LEU H . 50257 1 94 . 1 . 1 116 116 LEU N N 15 116.515 0.00 . . . . . . . 116 LEU N . 50257 1 95 . 1 . 1 117 117 ARG H H 1 8.598 0.00 . . . . . . . 117 ARG H . 50257 1 96 . 1 . 1 117 117 ARG N N 15 121.773 0.00 . . . . . . . 117 ARG N . 50257 1 97 . 1 . 1 118 118 ASP H H 1 8.342 0.00 . . . . . . . 118 ASP H . 50257 1 98 . 1 . 1 118 118 ASP N N 15 115.999 0.00 . . . . . . . 118 ASP N . 50257 1 99 . 1 . 1 119 119 TYR H H 1 7.314 0.00 . . . . . . . 119 TYR H . 50257 1 100 . 1 . 1 119 119 TYR N N 15 116.383 0.00 . . . . . . . 119 TYR N . 50257 1 101 . 1 . 1 120 120 PHE H H 1 8.548 0.00 . . . . . . . 120 PHE H . 50257 1 102 . 1 . 1 120 120 PHE N N 15 112.523 0.00 . . . . . . . 120 PHE N . 50257 1 103 . 1 . 1 121 121 GLU H H 1 8.732 0.00 . . . . . . . 121 GLU H . 50257 1 104 . 1 . 1 121 121 GLU N N 15 121.433 0.00 . . . . . . . 121 GLU N . 50257 1 105 . 1 . 1 122 122 GLU H H 1 7.312 0.00 . . . . . . . 122 GLU H . 50257 1 106 . 1 . 1 122 122 GLU N N 15 115.586 0.00 . . . . . . . 122 GLU N . 50257 1 107 . 1 . 1 123 123 TYR H H 1 8.176 0.00 . . . . . . . 123 TYR H . 50257 1 108 . 1 . 1 123 123 TYR N N 15 115.458 0.00 . . . . . . . 123 TYR N . 50257 1 109 . 1 . 1 124 124 GLY H H 1 7.577 0.00 . . . . . . . 124 GLY H . 50257 1 110 . 1 . 1 124 124 GLY N N 15 105.496 0.00 . . . . . . . 124 GLY N . 50257 1 111 . 1 . 1 125 125 LYS H H 1 8.351 0.00 . . . . . . . 125 LYS H . 50257 1 112 . 1 . 1 125 125 LYS N N 15 118.726 0.00 . . . . . . . 125 LYS N . 50257 1 113 . 1 . 1 126 126 ILE H H 1 8.615 0.00 . . . . . . . 126 ILE H . 50257 1 114 . 1 . 1 126 126 ILE N N 15 127.531 0.00 . . . . . . . 126 ILE N . 50257 1 115 . 1 . 1 127 127 ASP H H 1 9.205 0.00 . . . . . . . 127 ASP H . 50257 1 116 . 1 . 1 127 127 ASP N N 15 128.989 0.00 . . . . . . . 127 ASP N . 50257 1 117 . 1 . 1 128 128 THR H H 1 7.357 0.00 . . . . . . . 128 THR H . 50257 1 118 . 1 . 1 128 128 THR N N 15 109.276 0.00 . . . . . . . 128 THR N . 50257 1 119 . 1 . 1 129 129 ILE H H 1 8.381 0.00 . . . . . . . 129 ILE H . 50257 1 120 . 1 . 1 129 129 ILE N N 15 123.224 0.00 . . . . . . . 129 ILE N . 50257 1 121 . 1 . 1 130 130 GLU H H 1 8.963 0.00 . . . . . . . 130 GLU H . 50257 1 122 . 1 . 1 130 130 GLU N N 15 126.780 0.00 . . . . . . . 130 GLU N . 50257 1 123 . 1 . 1 131 131 ILE H H 1 8.861 0.00 . . . . . . . 131 ILE H . 50257 1 124 . 1 . 1 131 131 ILE N N 15 126.260 0.00 . . . . . . . 131 ILE N . 50257 1 125 . 1 . 1 133 133 THR H H 1 8.346 0.00 . . . . . . . 133 THR H . 50257 1 126 . 1 . 1 133 133 THR N N 15 119.356 0.00 . . . . . . . 133 THR N . 50257 1 127 . 1 . 1 134 134 ASP H H 1 8.962 0.00 . . . . . . . 134 ASP H . 50257 1 128 . 1 . 1 134 134 ASP N N 15 123.590 0.00 . . . . . . . 134 ASP N . 50257 1 129 . 1 . 1 136 136 GLN H H 1 8.532 0.00 . . . . . . . 136 GLN H . 50257 1 130 . 1 . 1 136 136 GLN N N 15 117.128 0.00 . . . . . . . 136 GLN N . 50257 1 131 . 1 . 1 139 139 LYS H H 1 7.783 0.00 . . . . . . . 139 LYS H . 50257 1 132 . 1 . 1 139 139 LYS N N 15 120.238 0.00 . . . . . . . 139 LYS N . 50257 1 133 . 1 . 1 143 143 PHE H H 1 7.200 0.00 . . . . . . . 143 PHE H . 50257 1 134 . 1 . 1 143 143 PHE N N 15 113.596 0.00 . . . . . . . 143 PHE N . 50257 1 135 . 1 . 1 145 145 PHE H H 1 8.900 0.00 . . . . . . . 145 PHE H . 50257 1 136 . 1 . 1 145 145 PHE N N 15 113.303 0.00 . . . . . . . 145 PHE N . 50257 1 137 . 1 . 1 148 148 PHE H H 1 9.224 0.00 . . . . . . . 148 PHE H . 50257 1 138 . 1 . 1 148 148 PHE N N 15 127.227 0.00 . . . . . . . 148 PHE N . 50257 1 139 . 1 . 1 149 149 ASP H H 1 8.258 0.00 . . . . . . . 149 ASP H . 50257 1 140 . 1 . 1 149 149 ASP N N 15 118.090 0.00 . . . . . . . 149 ASP N . 50257 1 141 . 1 . 1 150 150 ASP H H 1 7.976 0.00 . . . . . . . 150 ASP H . 50257 1 142 . 1 . 1 150 150 ASP N N 15 117.293 0.00 . . . . . . . 150 ASP N . 50257 1 143 . 1 . 1 155 155 ASP H H 1 7.662 0.00 . . . . . . . 155 ASP H . 50257 1 144 . 1 . 1 155 155 ASP N N 15 118.299 0.00 . . . . . . . 155 ASP N . 50257 1 145 . 1 . 1 160 160 GLN H H 1 7.796 0.00 . . . . . . . 160 GLN H . 50257 1 146 . 1 . 1 160 160 GLN N N 15 117.668 0.00 . . . . . . . 160 GLN N . 50257 1 147 . 1 . 1 163 163 HIS H H 1 8.944 0.00 . . . . . . . 163 HIS H . 50257 1 148 . 1 . 1 163 163 HIS N N 15 123.238 0.00 . . . . . . . 163 HIS N . 50257 1 149 . 1 . 1 164 164 THR H H 1 8.820 0.00 . . . . . . . 164 THR H . 50257 1 150 . 1 . 1 164 164 THR N N 15 121.669 0.00 . . . . . . . 164 THR N . 50257 1 151 . 1 . 1 165 165 ILE H H 1 8.395 0.00 . . . . . . . 165 ILE H . 50257 1 152 . 1 . 1 165 165 ILE N N 15 125.502 0.00 . . . . . . . 165 ILE N . 50257 1 153 . 1 . 1 166 166 ASN H H 1 9.555 0.00 . . . . . . . 166 ASN H . 50257 1 154 . 1 . 1 166 166 ASN N N 15 127.091 0.00 . . . . . . . 166 ASN N . 50257 1 155 . 1 . 1 167 167 GLY H H 1 8.186 0.00 . . . . . . . 167 GLY H . 50257 1 156 . 1 . 1 167 167 GLY N N 15 100.377 0.00 . . . . . . . 167 GLY N . 50257 1 157 . 1 . 1 168 168 HIS H H 1 7.739 0.00 . . . . . . . 168 HIS H . 50257 1 158 . 1 . 1 168 168 HIS N N 15 118.697 0.00 . . . . . . . 168 HIS N . 50257 1 159 . 1 . 1 170 170 ALA H H 1 8.793 0.00 . . . . . . . 170 ALA H . 50257 1 160 . 1 . 1 170 170 ALA N N 15 131.165 0.00 . . . . . . . 170 ALA N . 50257 1 161 . 1 . 1 171 171 GLU H H 1 8.113 0.00 . . . . . . . 171 GLU H . 50257 1 162 . 1 . 1 171 171 GLU N N 15 122.720 0.00 . . . . . . . 171 GLU N . 50257 1 163 . 1 . 1 172 172 VAL H H 1 8.474 0.00 . . . . . . . 172 VAL H . 50257 1 164 . 1 . 1 172 172 VAL N N 15 119.246 0.00 . . . . . . . 172 VAL N . 50257 1 165 . 1 . 1 174 174 LYS H H 1 8.960 0.00 . . . . . . . 174 LYS H . 50257 1 166 . 1 . 1 174 174 LYS N N 15 122.497 0.00 . . . . . . . 174 LYS N . 50257 1 167 . 1 . 1 175 175 ALA H H 1 8.392 0.00 . . . . . . . 175 ALA H . 50257 1 168 . 1 . 1 175 175 ALA N N 15 126.951 0.00 . . . . . . . 175 ALA N . 50257 1 169 . 1 . 1 179 179 GLN H H 1 8.476 0.00 . . . . . . . 179 GLN H . 50257 1 170 . 1 . 1 179 179 GLN N N 15 120.598 0.00 . . . . . . . 179 GLN N . 50257 1 171 . 1 . 1 182 182 GLN H H 1 8.470 0.00 . . . . . . . 182 GLN H . 50257 1 172 . 1 . 1 182 182 GLN N N 15 122.339 0.00 . . . . . . . 182 GLN N . 50257 1 173 . 1 . 1 184 184 VAL H H 1 8.053 0.00 . . . . . . . 184 VAL H . 50257 1 174 . 1 . 1 184 184 VAL N N 15 119.200 0.00 . . . . . . . 184 VAL N . 50257 1 175 . 1 . 1 189 189 SER H H 1 7.908 0.00 . . . . . . . 189 SER H . 50257 1 176 . 1 . 1 189 189 SER N N 15 122.547 0.00 . . . . . . . 189 SER N . 50257 1 stop_ save_