################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1H-15N NOESY' 1 $sample_1 isotropic 11374 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11374 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 $OPAL . . 11374 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 9 9 LYS H H 1 8.535 0.030 . 1 . . . . 3 LYS H . 11374 1 2 . 1 1 9 9 LYS N N 15 123.849 0.300 . 1 . . . . 3 LYS N . 11374 1 3 . 1 1 10 10 LYS H H 1 8.459 0.030 . 1 . . . . 4 LYS H . 11374 1 4 . 1 1 10 10 LYS N N 15 123.658 0.300 . 1 . . . . 4 LYS N . 11374 1 5 . 1 1 11 11 ASP H H 1 8.448 0.030 . 1 . . . . 5 ASP H . 11374 1 6 . 1 1 11 11 ASP N N 15 122.345 0.300 . 1 . . . . 5 ASP N . 11374 1 7 . 1 1 12 12 THR H H 1 8.220 0.030 . 1 . . . . 6 THR H . 11374 1 8 . 1 1 12 12 THR N N 15 114.842 0.300 . 1 . . . . 6 THR N . 11374 1 9 . 1 1 13 13 SER H H 1 8.317 0.030 . 1 . . . . 7 SER H . 11374 1 10 . 1 1 13 13 SER N N 15 118.883 0.300 . 1 . . . . 7 SER N . 11374 1 11 . 1 1 14 14 ASN H H 1 8.262 0.030 . 1 . . . . 8 ASN H . 11374 1 12 . 1 1 14 14 ASN N N 15 119.331 0.300 . 1 . . . . 8 ASN N . 11374 1 13 . 1 1 15 15 HIS H H 1 7.373 0.030 . 1 . . . . 9 HIS H . 11374 1 14 . 1 1 15 15 HIS N N 15 119.153 0.300 . 1 . . . . 9 HIS N . 11374 1 15 . 1 1 16 16 PHE H H 1 8.390 0.030 . 1 . . . . 10 PHE H . 11374 1 16 . 1 1 16 16 PHE N N 15 117.347 0.300 . 1 . . . . 10 PHE N . 11374 1 17 . 1 1 17 17 HIS H H 1 8.920 0.030 . 1 . . . . 11 HIS H . 11374 1 18 . 1 1 17 17 HIS N N 15 124.353 0.300 . 1 . . . . 11 HIS N . 11374 1 19 . 1 1 18 18 VAL H H 1 9.818 0.030 . 1 . . . . 12 VAL H . 11374 1 20 . 1 1 18 18 VAL N N 15 126.932 0.300 . 1 . . . . 12 VAL N . 11374 1 21 . 1 1 19 19 PHE H H 1 9.123 0.030 . 1 . . . . 13 PHE H . 11374 1 22 . 1 1 19 19 PHE N N 15 128.213 0.300 . 1 . . . . 13 PHE N . 11374 1 23 . 1 1 20 20 VAL H H 1 7.681 0.030 . 1 . . . . 14 VAL H . 11374 1 24 . 1 1 20 20 VAL N N 15 126.893 0.300 . 1 . . . . 14 VAL N . 11374 1 25 . 1 1 21 21 GLY H H 1 8.654 0.030 . 1 . . . . 15 GLY H . 11374 1 26 . 1 1 21 21 GLY N N 15 111.045 0.300 . 1 . . . . 15 GLY N . 11374 1 27 . 1 1 22 22 ASP H H 1 8.378 0.030 . 1 . . . . 16 ASP H . 11374 1 28 . 1 1 22 22 ASP N N 15 115.636 0.300 . 1 . . . . 16 ASP N . 11374 1 29 . 1 1 23 23 LEU H H 1 7.597 0.030 . 1 . . . . 17 LEU H . 11374 1 30 . 1 1 23 23 LEU N N 15 112.377 0.300 . 1 . . . . 17 LEU N . 11374 1 31 . 1 1 24 24 SER H H 1 8.935 0.030 . 1 . . . . 18 SER H . 11374 1 32 . 1 1 24 24 SER N N 15 120.901 0.300 . 1 . . . . 18 SER N . 11374 1 33 . 1 1 26 26 GLU H H 1 9.009 0.030 . 1 . . . . 20 GLU H . 11374 1 34 . 1 1 26 26 GLU N N 15 116.129 0.300 . 1 . . . . 20 GLU N . 11374 1 35 . 1 1 27 27 ILE H H 1 7.351 0.030 . 1 . . . . 21 ILE H . 11374 1 36 . 1 1 27 27 ILE N N 15 121.706 0.300 . 1 . . . . 21 ILE N . 11374 1 37 . 1 1 28 28 THR H H 1 9.403 0.030 . 1 . . . . 22 THR H . 11374 1 38 . 1 1 28 28 THR N N 15 121.223 0.300 . 1 . . . . 22 THR N . 11374 1 39 . 1 1 29 29 THR H H 1 9.032 0.030 . 1 . . . . 23 THR H . 11374 1 40 . 1 1 29 29 THR N N 15 118.411 0.300 . 1 . . . . 23 THR N . 11374 1 41 . 1 1 30 30 GLU H H 1 8.411 0.030 . 1 . . . . 24 GLU H . 11374 1 42 . 1 1 30 30 GLU N N 15 119.940 0.300 . 1 . . . . 24 GLU N . 11374 1 43 . 1 1 31 31 ASP H H 1 7.703 0.030 . 1 . . . . 25 ASP H . 11374 1 44 . 1 1 31 31 ASP N N 15 120.100 0.300 . 1 . . . . 25 ASP N . 11374 1 45 . 1 1 32 32 ILE H H 1 7.916 0.030 . 1 . . . . 26 ILE H . 11374 1 46 . 1 1 32 32 ILE N N 15 118.520 0.300 . 1 . . . . 26 ILE N . 11374 1 47 . 1 1 33 33 LYS H H 1 8.290 0.030 . 1 . . . . 27 LYS H . 11374 1 48 . 1 1 33 33 LYS N N 15 121.653 0.300 . 1 . . . . 27 LYS N . 11374 1 49 . 1 1 34 34 ALA H H 1 7.744 0.030 . 1 . . . . 28 ALA H . 11374 1 50 . 1 1 34 34 ALA N N 15 118.243 0.300 . 1 . . . . 28 ALA N . 11374 1 51 . 1 1 35 35 ALA H H 1 7.833 0.030 . 1 . . . . 29 ALA H . 11374 1 52 . 1 1 35 35 ALA N N 15 118.034 0.300 . 1 . . . . 29 ALA N . 11374 1 53 . 1 1 36 36 PHE H H 1 7.974 0.030 . 1 . . . . 30 PHE H . 11374 1 54 . 1 1 36 36 PHE N N 15 112.056 0.300 . 1 . . . . 30 PHE N . 11374 1 55 . 1 1 37 37 ALA H H 1 8.043 0.030 . 1 . . . . 31 ALA H . 11374 1 56 . 1 1 37 37 ALA N N 15 125.049 0.300 . 1 . . . . 31 ALA N . 11374 1 57 . 1 1 39 39 PHE H H 1 7.692 0.030 . 1 . . . . 33 PHE H . 11374 1 58 . 1 1 39 39 PHE N N 15 112.696 0.300 . 1 . . . . 33 PHE N . 11374 1 59 . 1 1 40 40 GLY H H 1 7.601 0.030 . 1 . . . . 34 GLY H . 11374 1 60 . 1 1 40 40 GLY N N 15 104.647 0.300 . 1 . . . . 34 GLY N . 11374 1 61 . 1 1 41 41 ARG H H 1 8.237 0.030 . 1 . . . . 35 ARG H . 11374 1 62 . 1 1 41 41 ARG N N 15 116.988 0.300 . 1 . . . . 35 ARG N . 11374 1 63 . 1 1 42 42 ILE H H 1 8.508 0.030 . 1 . . . . 36 ILE H . 11374 1 64 . 1 1 42 42 ILE N N 15 128.034 0.300 . 1 . . . . 36 ILE N . 11374 1 65 . 1 1 43 43 SER H H 1 8.838 0.030 . 1 . . . . 37 SER H . 11374 1 66 . 1 1 43 43 SER N N 15 123.297 0.300 . 1 . . . . 37 SER N . 11374 1 67 . 1 1 44 44 ASP H H 1 7.267 0.030 . 1 . . . . 38 ASP H . 11374 1 68 . 1 1 44 44 ASP N N 15 119.641 0.300 . 1 . . . . 38 ASP N . 11374 1 69 . 1 1 45 45 ALA H H 1 7.984 0.030 . 1 . . . . 39 ALA H . 11374 1 70 . 1 1 45 45 ALA N N 15 121.317 0.300 . 1 . . . . 39 ALA N . 11374 1 71 . 1 1 46 46 ARG H H 1 8.735 0.030 . 1 . . . . 40 ARG H . 11374 1 72 . 1 1 46 46 ARG N N 15 115.328 0.300 . 1 . . . . 40 ARG N . 11374 1 73 . 1 1 47 47 VAL H H 1 7.608 0.030 . 1 . . . . 41 VAL H . 11374 1 74 . 1 1 47 47 VAL N N 15 123.242 0.300 . 1 . . . . 41 VAL N . 11374 1 75 . 1 1 48 48 VAL H H 1 8.388 0.030 . 1 . . . . 42 VAL H . 11374 1 76 . 1 1 48 48 VAL N N 15 130.306 0.300 . 1 . . . . 42 VAL N . 11374 1 77 . 1 1 49 49 LYS H H 1 8.165 0.030 . 1 . . . . 43 LYS H . 11374 1 78 . 1 1 49 49 LYS N N 15 125.241 0.300 . 1 . . . . 43 LYS N . 11374 1 79 . 1 1 50 50 ASP H H 1 8.644 0.030 . 1 . . . . 44 ASP H . 11374 1 80 . 1 1 50 50 ASP N N 15 121.838 0.300 . 1 . . . . 44 ASP N . 11374 1 81 . 1 1 51 51 MET H H 1 9.061 0.030 . 1 . . . . 45 MET H . 11374 1 82 . 1 1 51 51 MET N N 15 127.283 0.300 . 1 . . . . 45 MET N . 11374 1 83 . 1 1 52 52 ALA H H 1 8.559 0.030 . 1 . . . . 46 ALA H . 11374 1 84 . 1 1 52 52 ALA N N 15 120.754 0.300 . 1 . . . . 46 ALA N . 11374 1 85 . 1 1 53 53 THR H H 1 7.756 0.030 . 1 . . . . 47 THR H . 11374 1 86 . 1 1 53 53 THR N N 15 104.923 0.300 . 1 . . . . 47 THR N . 11374 1 87 . 1 1 54 54 GLY H H 1 8.451 0.030 . 1 . . . . 48 GLY H . 11374 1 88 . 1 1 54 54 GLY N N 15 111.463 0.300 . 1 . . . . 48 GLY N . 11374 1 89 . 1 1 55 55 LYS H H 1 7.701 0.030 . 1 . . . . 49 LYS H . 11374 1 90 . 1 1 55 55 LYS N N 15 119.242 0.300 . 1 . . . . 49 LYS N . 11374 1 91 . 1 1 56 56 SER H H 1 8.761 0.030 . 1 . . . . 50 SER H . 11374 1 92 . 1 1 56 56 SER N N 15 115.540 0.300 . 1 . . . . 50 SER N . 11374 1 93 . 1 1 57 57 LYS H H 1 9.294 0.030 . 1 . . . . 51 LYS H . 11374 1 94 . 1 1 57 57 LYS N N 15 125.916 0.300 . 1 . . . . 51 LYS N . 11374 1 95 . 1 1 58 58 GLY H H 1 9.159 0.030 . 1 . . . . 52 GLY H . 11374 1 96 . 1 1 58 58 GLY N N 15 106.718 0.300 . 1 . . . . 52 GLY N . 11374 1 97 . 1 1 59 59 TYR H H 1 6.977 0.030 . 1 . . . . 53 TYR H . 11374 1 98 . 1 1 59 59 TYR N N 15 112.875 0.300 . 1 . . . . 53 TYR N . 11374 1 99 . 1 1 60 60 GLY H H 1 8.787 0.030 . 1 . . . . 54 GLY H . 11374 1 100 . 1 1 60 60 GLY N N 15 106.234 0.300 . 1 . . . . 54 GLY N . 11374 1 101 . 1 1 61 61 PHE H H 1 8.459 0.030 . 1 . . . . 55 PHE H . 11374 1 102 . 1 1 61 61 PHE N N 15 113.453 0.300 . 1 . . . . 55 PHE N . 11374 1 103 . 1 1 62 62 VAL H H 1 8.932 0.030 . 1 . . . . 56 VAL H . 11374 1 104 . 1 1 62 62 VAL N N 15 120.167 0.300 . 1 . . . . 56 VAL N . 11374 1 105 . 1 1 63 63 SER H H 1 8.770 0.030 . 1 . . . . 57 SER H . 11374 1 106 . 1 1 63 63 SER N N 15 122.337 0.300 . 1 . . . . 57 SER N . 11374 1 107 . 1 1 64 64 PHE H H 1 9.263 0.030 . 1 . . . . 58 PHE H . 11374 1 108 . 1 1 64 64 PHE N N 15 121.902 0.300 . 1 . . . . 58 PHE N . 11374 1 109 . 1 1 65 65 PHE H H 1 7.703 0.030 . 1 . . . . 59 PHE H . 11374 1 110 . 1 1 65 65 PHE N N 15 117.991 0.300 . 1 . . . . 59 PHE N . 11374 1 111 . 1 1 66 66 ASN H H 1 8.667 0.030 . 1 . . . . 60 ASN H . 11374 1 112 . 1 1 66 66 ASN N N 15 114.221 0.300 . 1 . . . . 60 ASN N . 11374 1 113 . 1 1 67 67 LYS H H 1 8.165 0.030 . 1 . . . . 61 LYS H . 11374 1 114 . 1 1 67 67 LYS N N 15 126.726 0.300 . 1 . . . . 61 LYS N . 11374 1 115 . 1 1 68 68 TRP H H 1 7.571 0.030 . 1 . . . . 62 TRP H . 11374 1 116 . 1 1 68 68 TRP N N 15 116.532 0.300 . 1 . . . . 62 TRP N . 11374 1 117 . 1 1 69 69 ASP H H 1 6.859 0.030 . 1 . . . . 63 ASP H . 11374 1 118 . 1 1 69 69 ASP N N 15 121.274 0.300 . 1 . . . . 63 ASP N . 11374 1 119 . 1 1 70 70 ALA H H 1 6.597 0.030 . 1 . . . . 64 ALA H . 11374 1 120 . 1 1 70 70 ALA N N 15 119.724 0.300 . 1 . . . . 64 ALA N . 11374 1 121 . 1 1 71 71 GLU H H 1 8.322 0.030 . 1 . . . . 65 GLU H . 11374 1 122 . 1 1 71 71 GLU N N 15 117.200 0.300 . 1 . . . . 65 GLU N . 11374 1 123 . 1 1 72 72 ASN H H 1 7.917 0.030 . 1 . . . . 66 ASN H . 11374 1 124 . 1 1 72 72 ASN N N 15 117.876 0.300 . 1 . . . . 66 ASN N . 11374 1 125 . 1 1 73 73 ALA H H 1 7.877 0.030 . 1 . . . . 67 ALA H . 11374 1 126 . 1 1 73 73 ALA N N 15 121.655 0.300 . 1 . . . . 67 ALA N . 11374 1 127 . 1 1 74 74 ILE H H 1 8.072 0.030 . 1 . . . . 68 ILE H . 11374 1 128 . 1 1 74 74 ILE N N 15 116.524 0.300 . 1 . . . . 68 ILE N . 11374 1 129 . 1 1 75 75 GLN H H 1 7.623 0.030 . 1 . . . . 69 GLN H . 11374 1 130 . 1 1 75 75 GLN N N 15 117.094 0.300 . 1 . . . . 69 GLN N . 11374 1 131 . 1 1 76 76 GLN H H 1 8.427 0.030 . 1 . . . . 70 GLN H . 11374 1 132 . 1 1 76 76 GLN N N 15 114.692 0.300 . 1 . . . . 70 GLN N . 11374 1 133 . 1 1 77 77 MET H H 1 7.681 0.030 . 1 . . . . 71 MET H . 11374 1 134 . 1 1 77 77 MET N N 15 113.167 0.300 . 1 . . . . 71 MET N . 11374 1 135 . 1 1 78 78 GLY H H 1 7.029 0.030 . 1 . . . . 72 GLY H . 11374 1 136 . 1 1 78 78 GLY N N 15 106.996 0.300 . 1 . . . . 72 GLY N . 11374 1 137 . 1 1 79 79 GLY H H 1 8.441 0.030 . 1 . . . . 73 GLY H . 11374 1 138 . 1 1 79 79 GLY N N 15 115.358 0.300 . 1 . . . . 73 GLY N . 11374 1 139 . 1 1 80 80 GLN H H 1 7.605 0.030 . 1 . . . . 74 GLN H . 11374 1 140 . 1 1 80 80 GLN N N 15 119.082 0.300 . 1 . . . . 74 GLN N . 11374 1 141 . 1 1 81 81 TRP H H 1 8.627 0.030 . 1 . . . . 75 TRP H . 11374 1 142 . 1 1 81 81 TRP N N 15 121.002 0.300 . 1 . . . . 75 TRP N . 11374 1 143 . 1 1 82 82 LEU H H 1 8.558 0.030 . 1 . . . . 76 LEU H . 11374 1 144 . 1 1 82 82 LEU N N 15 125.924 0.300 . 1 . . . . 76 LEU N . 11374 1 145 . 1 1 83 83 GLY H H 1 9.317 0.030 . 1 . . . . 77 GLY H . 11374 1 146 . 1 1 83 83 GLY N N 15 115.393 0.300 . 1 . . . . 77 GLY N . 11374 1 147 . 1 1 84 84 GLY H H 1 8.734 0.030 . 1 . . . . 78 GLY H . 11374 1 148 . 1 1 84 84 GLY N N 15 107.802 0.300 . 1 . . . . 78 GLY N . 11374 1 149 . 1 1 85 85 ARG H H 1 7.620 0.030 . 1 . . . . 79 ARG H . 11374 1 150 . 1 1 85 85 ARG N N 15 118.518 0.300 . 1 . . . . 79 ARG N . 11374 1 151 . 1 1 86 86 GLN H H 1 7.801 0.030 . 1 . . . . 80 GLN H . 11374 1 152 . 1 1 86 86 GLN N N 15 121.787 0.300 . 1 . . . . 80 GLN N . 11374 1 153 . 1 1 87 87 ILE H H 1 8.129 0.030 . 1 . . . . 81 ILE H . 11374 1 154 . 1 1 87 87 ILE N N 15 118.085 0.300 . 1 . . . . 81 ILE N . 11374 1 155 . 1 1 88 88 ARG H H 1 7.920 0.030 . 1 . . . . 82 ARG H . 11374 1 156 . 1 1 88 88 ARG N N 15 119.782 0.300 . 1 . . . . 82 ARG N . 11374 1 157 . 1 1 89 89 THR H H 1 8.377 0.030 . 1 . . . . 83 THR H . 11374 1 158 . 1 1 89 89 THR N N 15 110.727 0.300 . 1 . . . . 83 THR N . 11374 1 159 . 1 1 90 90 ASN H H 1 8.687 0.030 . 1 . . . . 84 ASN H . 11374 1 160 . 1 1 90 90 ASN N N 15 115.821 0.300 . 1 . . . . 84 ASN N . 11374 1 161 . 1 1 91 91 TRP H H 1 8.810 0.030 . 1 . . . . 85 TRP H . 11374 1 162 . 1 1 91 91 TRP N N 15 122.277 0.300 . 1 . . . . 85 TRP N . 11374 1 163 . 1 1 92 92 ALA H H 1 8.988 0.030 . 1 . . . . 86 ALA H . 11374 1 164 . 1 1 92 92 ALA N N 15 126.787 0.300 . 1 . . . . 86 ALA N . 11374 1 165 . 1 1 93 93 THR H H 1 8.563 0.030 . 1 . . . . 87 THR H . 11374 1 166 . 1 1 93 93 THR N N 15 114.859 0.300 . 1 . . . . 87 THR N . 11374 1 167 . 1 1 94 94 ARG H H 1 8.360 0.030 . 1 . . . . 88 ARG H . 11374 1 168 . 1 1 94 94 ARG N N 15 123.611 0.300 . 1 . . . . 88 ARG N . 11374 1 169 . 1 1 95 95 LYS H H 1 8.229 0.030 . 1 . . . . 89 LYS H . 11374 1 170 . 1 1 95 95 LYS N N 15 123.713 0.300 . 1 . . . . 89 LYS N . 11374 1 171 . 1 1 98 98 ALA H H 1 8.290 0.030 . 1 . . . . 92 ALA H . 11374 1 172 . 1 1 98 98 ALA N N 15 125.533 0.300 . 1 . . . . 92 ALA N . 11374 1 173 . 1 1 100 100 LYS H H 1 8.414 0.030 . 1 . . . . 94 LYS H . 11374 1 174 . 1 1 100 100 LYS N N 15 121.743 0.300 . 1 . . . . 94 LYS N . 11374 1 175 . 1 1 101 101 SER H H 1 8.364 0.030 . 1 . . . . 95 SER H . 11374 1 176 . 1 1 101 101 SER N N 15 117.060 0.300 . 1 . . . . 95 SER N . 11374 1 177 . 1 1 102 102 THR H H 1 8.133 0.030 . 1 . . . . 96 THR H . 11374 1 178 . 1 1 102 102 THR N N 15 115.589 0.300 . 1 . . . . 96 THR N . 11374 1 179 . 1 1 103 103 TYR H H 1 8.123 0.030 . 1 . . . . 97 TYR H . 11374 1 180 . 1 1 103 103 TYR N N 15 121.852 0.300 . 1 . . . . 97 TYR N . 11374 1 181 . 1 1 104 104 GLU H H 1 8.220 0.030 . 1 . . . . 98 GLU H . 11374 1 182 . 1 1 104 104 GLU N N 15 122.672 0.300 . 1 . . . . 98 GLU N . 11374 1 183 . 1 1 105 105 SER H H 1 8.279 0.030 . 1 . . . . 99 SER H . 11374 1 184 . 1 1 105 105 SER N N 15 116.780 0.300 . 1 . . . . 99 SER N . 11374 1 185 . 1 1 106 106 ASN H H 1 8.476 0.030 . 1 . . . . 100 ASN H . 11374 1 186 . 1 1 106 106 ASN N N 15 120.902 0.300 . 1 . . . . 100 ASN N . 11374 1 187 . 1 1 107 107 THR H H 1 8.065 0.030 . 1 . . . . 101 THR H . 11374 1 188 . 1 1 107 107 THR N N 15 114.288 0.300 . 1 . . . . 101 THR N . 11374 1 189 . 1 1 108 108 LYS H H 1 8.279 0.030 . 1 . . . . 102 LYS H . 11374 1 190 . 1 1 108 108 LYS N N 15 124.426 0.300 . 1 . . . . 102 LYS N . 11374 1 191 . 1 1 109 109 GLN H H 1 8.013 0.030 . 1 . . . . 103 GLN H . 11374 1 192 . 1 1 109 109 GLN N N 15 127.272 0.300 . 1 . . . . 103 GLN N . 11374 1 stop_ save_