################################### # 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 50214 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pH 6.5' _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' . . . 50214 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 . . 50214 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 ASP H H 1 8.435 0.000 . 1 . . . . . 45 ASP H . 50214 1 2 . 1 . 1 2 2 ASP N N 15 125.354 0.000 . 1 . . . . . 45 ASP N . 50214 1 3 . 1 . 1 3 3 LYS H H 1 8.711 0.000 . 1 . . . . . 46 LYS H . 50214 1 4 . 1 . 1 3 3 LYS N N 15 123.344 0.000 . 1 . . . . . 46 LYS N . 50214 1 5 . 1 . 1 4 4 THR H H 1 8.037 0.000 . 1 . . . . . 47 THR H . 50214 1 6 . 1 . 1 4 4 THR N N 15 115.111 0.000 . 1 . . . . . 47 THR N . 50214 1 7 . 1 . 1 5 5 THR H H 1 7.874 0.000 . 1 . . . . . 48 THR H . 50214 1 8 . 1 . 1 5 5 THR N N 15 119.837 0.000 . 1 . . . . . 48 THR N . 50214 1 9 . 1 . 1 6 6 PHE H H 1 8.091 0.000 . 1 . . . . . 49 PHE H . 50214 1 10 . 1 . 1 6 6 PHE N N 15 121.911 0.000 . 1 . . . . . 49 PHE N . 50214 1 11 . 1 . 1 7 7 ARG H H 1 8.071 0.000 . 1 . . . . . 50 ARG H . 50214 1 12 . 1 . 1 7 7 ARG N N 15 118.992 0.000 . 1 . . . . . 50 ARG N . 50214 1 13 . 1 . 1 8 8 LEU H H 1 8.051 0.000 . 1 . . . . . 51 LEU H . 50214 1 14 . 1 . 1 8 8 LEU N N 15 122.617 0.000 . 1 . . . . . 51 LEU N . 50214 1 15 . 1 . 1 11 11 GLY H H 1 8.193 0.000 . 1 . . . . . 54 GLY H . 50214 1 16 . 1 . 1 11 11 GLY N N 15 107.915 0.000 . 1 . . . . . 54 GLY N . 50214 1 17 . 1 . 1 12 12 GLU H H 1 8.098 0.000 . 1 . . . . . 55 GLU H . 50214 1 18 . 1 . 1 12 12 GLU N N 15 123.421 0.000 . 1 . . . . . 55 GLU N . 50214 1 19 . 1 . 1 13 13 SER H H 1 8.029 0.000 . 1 . . . . . 56 SER H . 50214 1 20 . 1 . 1 13 13 SER N N 15 114.471 0.000 . 1 . . . . . 56 SER N . 50214 1 21 . 1 . 1 14 14 ASN H H 1 8.292 0.000 . 1 . . . . . 57 ASN H . 50214 1 22 . 1 . 1 14 14 ASN N N 15 116.999 0.000 . 1 . . . . . 57 ASN N . 50214 1 23 . 1 . 1 15 15 LEU H H 1 7.968 0.000 . 1 . . . . . 58 LEU H . 50214 1 24 . 1 . 1 15 15 LEU N N 15 122.283 0.000 . 1 . . . . . 58 LEU N . 50214 1 25 . 1 . 1 16 16 PHE H H 1 8.463 0.000 . 1 . . . . . 59 PHE H . 50214 1 26 . 1 . 1 16 16 PHE N N 15 119.412 0.000 . 1 . . . . . 59 PHE N . 50214 1 27 . 1 . 1 18 18 THR H H 1 7.661 0.000 . 1 . . . . . 61 THR H . 50214 1 28 . 1 . 1 18 18 THR N N 15 109.658 0.000 . 1 . . . . . 61 THR N . 50214 1 29 . 1 . 1 19 19 LEU H H 1 7.381 0.000 . 1 . . . . . 62 LEU H . 50214 1 30 . 1 . 1 19 19 LEU N N 15 121.155 0.000 . 1 . . . . . 62 LEU N . 50214 1 31 . 1 . 1 20 20 ALA H H 1 7.183 0.000 . 1 . . . . . 63 ALA H . 50214 1 32 . 1 . 1 20 20 ALA N N 15 123.935 0.000 . 1 . . . . . 63 ALA N . 50214 1 33 . 1 . 1 21 21 LYS H H 1 8.722 0.000 . 1 . . . . . 64 LYS H . 50214 1 34 . 1 . 1 21 21 LYS N N 15 120.921 0.000 . 1 . . . . . 64 LYS N . 50214 1 35 . 1 . 1 22 22 TRP H H 1 8.742 0.000 . 1 . . . . . 65 TRP H . 50214 1 36 . 1 . 1 22 22 TRP N N 15 126.480 0.000 . 1 . . . . . 65 TRP N . 50214 1 37 . 1 . 1 23 23 GLU H H 1 8.324 0.000 . 1 . . . . . 66 GLU H . 50214 1 38 . 1 . 1 23 23 GLU N N 15 127.341 0.000 . 1 . . . . . 66 GLU N . 50214 1 39 . 1 . 1 24 24 ASN H H 1 9.202 0.000 . 1 . . . . . 67 ASN H . 50214 1 40 . 1 . 1 24 24 ASN N N 15 124.073 0.000 . 1 . . . . . 67 ASN N . 50214 1 41 . 1 . 1 25 25 ASN H H 1 8.326 0.000 . 1 . . . . . 68 ASN H . 50214 1 42 . 1 . 1 25 25 ASN N N 15 110.112 0.000 . 1 . . . . . 68 ASN N . 50214 1 43 . 1 . 1 26 26 LYS H H 1 6.858 0.000 . 1 . . . . . 69 LYS H . 50214 1 44 . 1 . 1 26 26 LYS N N 15 117.667 0.000 . 1 . . . . . 69 LYS N . 50214 1 45 . 1 . 1 27 27 ILE H H 1 8.578 0.000 . 1 . . . . . 70 ILE H . 50214 1 46 . 1 . 1 27 27 ILE N N 15 122.708 0.000 . 1 . . . . . 70 ILE N . 50214 1 47 . 1 . 1 28 28 SER H H 1 8.740 0.000 . 1 . . . . . 71 SER H . 50214 1 48 . 1 . 1 28 28 SER N N 15 121.716 0.000 . 1 . . . . . 71 SER N . 50214 1 49 . 1 . 1 29 29 VAL H H 1 8.161 0.000 . 1 . . . . . 72 VAL H . 50214 1 50 . 1 . 1 29 29 VAL N N 15 124.708 0.000 . 1 . . . . . 72 VAL N . 50214 1 51 . 1 . 1 30 30 GLU H H 1 7.995 0.000 . 1 . . . . . 73 GLU H . 50214 1 52 . 1 . 1 30 30 GLU N N 15 129.286 0.000 . 1 . . . . . 73 GLU N . 50214 1 53 . 1 . 1 31 31 LEU H H 1 8.308 0.000 . 1 . . . . . 74 LEU H . 50214 1 54 . 1 . 1 31 31 LEU N N 15 126.331 0.000 . 1 . . . . . 74 LEU N . 50214 1 55 . 1 . 1 33 33 GLU H H 1 8.707 0.000 . 1 . . . . . 76 GLU H . 50214 1 56 . 1 . 1 33 33 GLU N N 15 122.484 0.000 . 1 . . . . . 76 GLU N . 50214 1 57 . 1 . 1 34 34 ASN H H 1 8.437 0.000 . 1 . . . . . 77 ASN H . 50214 1 58 . 1 . 1 34 34 ASN N N 15 116.490 0.000 . 1 . . . . . 77 ASN N . 50214 1 59 . 1 . 1 35 35 LEU H H 1 7.638 0.000 . 1 . . . . . 78 LEU H . 50214 1 60 . 1 . 1 35 35 LEU N N 15 121.893 0.000 . 1 . . . . . 78 LEU N . 50214 1 61 . 1 . 1 36 36 ASP H H 1 8.475 0.000 . 1 . . . . . 79 ASP H . 50214 1 62 . 1 . 1 36 36 ASP N N 15 122.627 0.000 . 1 . . . . . 79 ASP N . 50214 1 63 . 1 . 1 37 37 MET H H 1 8.209 0.000 . 1 . . . . . 80 MET H . 50214 1 64 . 1 . 1 37 37 MET N N 15 119.832 0.000 . 1 . . . . . 80 MET N . 50214 1 65 . 1 . 1 38 38 GLN H H 1 8.197 0.000 . 1 . . . . . 81 GLN H . 50214 1 66 . 1 . 1 38 38 GLN N N 15 119.927 0.000 . 1 . . . . . 81 GLN N . 50214 1 67 . 1 . 1 39 39 SER H H 1 7.838 0.000 . 1 . . . . . 82 SER H . 50214 1 68 . 1 . 1 39 39 SER N N 15 116.430 0.000 . 1 . . . . . 82 SER N . 50214 1 69 . 1 . 1 41 41 THR H H 1 8.154 0.000 . 1 . . . . . 84 THR H . 50214 1 70 . 1 . 1 41 41 THR N N 15 112.959 0.000 . 1 . . . . . 84 THR N . 50214 1 71 . 1 . 1 42 42 MET H H 1 8.880 0.000 . 1 . . . . . 85 MET H . 50214 1 72 . 1 . 1 42 42 MET N N 15 121.284 0.000 . 1 . . . . . 85 MET N . 50214 1 73 . 1 . 1 43 43 THR H H 1 8.010 0.000 . 1 . . . . . 86 THR H . 50214 1 74 . 1 . 1 43 43 THR N N 15 124.028 0.000 . 1 . . . . . 86 THR N . 50214 1 75 . 1 . 1 44 44 LEU H H 1 9.591 0.000 . 1 . . . . . 87 LEU H . 50214 1 76 . 1 . 1 44 44 LEU N N 15 127.210 0.000 . 1 . . . . . 87 LEU N . 50214 1 77 . 1 . 1 45 45 ILE H H 1 9.000 0.000 . 1 . . . . . 88 ILE H . 50214 1 78 . 1 . 1 45 45 ILE N N 15 120.082 0.000 . 1 . . . . . 88 ILE N . 50214 1 79 . 1 . 1 46 46 TYR H H 1 9.895 0.000 . 1 . . . . . 89 TYR H . 50214 1 80 . 1 . 1 46 46 TYR N N 15 128.539 0.000 . 1 . . . . . 89 TYR N . 50214 1 81 . 1 . 1 47 47 ASP H H 1 8.807 0.000 . 1 . . . . . 90 ASP H . 50214 1 82 . 1 . 1 47 47 ASP N N 15 119.087 0.000 . 1 . . . . . 90 ASP N . 50214 1 83 . 1 . 1 48 48 GLU H H 1 9.055 0.000 . 1 . . . . . 91 GLU H . 50214 1 84 . 1 . 1 48 48 GLU N N 15 117.625 0.000 . 1 . . . . . 91 GLU N . 50214 1 85 . 1 . 1 49 49 THR H H 1 8.624 0.000 . 1 . . . . . 92 THR H . 50214 1 86 . 1 . 1 49 49 THR N N 15 113.196 0.000 . 1 . . . . . 92 THR N . 50214 1 87 . 1 . 1 50 50 GLY H H 1 8.243 0.000 . 1 . . . . . 93 GLY H . 50214 1 88 . 1 . 1 50 50 GLY N N 15 111.035 0.000 . 1 . . . . . 93 GLY N . 50214 1 89 . 1 . 1 51 51 LYS H H 1 8.050 0.000 . 1 . . . . . 94 LYS H . 50214 1 90 . 1 . 1 51 51 LYS N N 15 123.788 0.000 . 1 . . . . . 94 LYS N . 50214 1 91 . 1 . 1 52 52 LEU H H 1 8.547 0.000 . 1 . . . . . 95 LEU H . 50214 1 92 . 1 . 1 52 52 LEU N N 15 128.295 0.000 . 1 . . . . . 95 LEU N . 50214 1 93 . 1 . 1 53 53 LEU H H 1 9.680 0.000 . 1 . . . . . 96 LEU H . 50214 1 94 . 1 . 1 53 53 LEU N N 15 128.680 0.000 . 1 . . . . . 96 LEU N . 50214 1 95 . 1 . 1 54 54 TRP H H 1 7.788 0.000 . 1 . . . . . 97 TRP H . 50214 1 96 . 1 . 1 54 54 TRP N N 15 119.696 0.000 . 1 . . . . . 97 TRP N . 50214 1 97 . 1 . 1 55 55 THR H H 1 7.405 0.000 . 1 . . . . . 98 THR H . 50214 1 98 . 1 . 1 55 55 THR N N 15 119.889 0.000 . 1 . . . . . 98 THR N . 50214 1 99 . 1 . 1 56 56 GLN H H 1 7.901 0.000 . 1 . . . . . 99 GLN H . 50214 1 100 . 1 . 1 56 56 GLN N N 15 128.533 0.000 . 1 . . . . . 99 GLN N . 50214 1 101 . 1 . 1 57 57 ARG H H 1 7.098 0.000 . 1 . . . . . 100 ARG H . 50214 1 102 . 1 . 1 57 57 ARG N N 15 111.978 0.000 . 1 . . . . . 100 ARG N . 50214 1 103 . 1 . 1 58 58 ASN H H 1 9.072 0.000 . 1 . . . . . 101 ASN H . 50214 1 104 . 1 . 1 58 58 ASN N N 15 124.443 0.000 . 1 . . . . . 101 ASN N . 50214 1 105 . 1 . 1 59 59 ILE H H 1 6.461 0.000 . 1 . . . . . 102 ILE H . 50214 1 106 . 1 . 1 59 59 ILE N N 15 125.453 0.000 . 1 . . . . . 102 ILE N . 50214 1 107 . 1 . 1 61 61 TRP H H 1 8.228 0.000 . 1 . . . . . 104 TRP H . 50214 1 108 . 1 . 1 61 61 TRP N N 15 115.152 0.000 . 1 . . . . . 104 TRP N . 50214 1 109 . 1 . 1 62 62 LEU H H 1 6.003 0.000 . 1 . . . . . 105 LEU H . 50214 1 110 . 1 . 1 62 62 LEU N N 15 126.169 0.000 . 1 . . . . . 105 LEU N . 50214 1 111 . 1 . 1 63 63 ILE H H 1 7.259 0.000 . 1 . . . . . 106 ILE H . 50214 1 112 . 1 . 1 63 63 ILE N N 15 120.565 0.000 . 1 . . . . . 106 ILE N . 50214 1 113 . 1 . 1 64 64 LYS H H 1 7.816 0.000 . 1 . . . . . 107 LYS H . 50214 1 114 . 1 . 1 64 64 LYS N N 15 117.222 0.000 . 1 . . . . . 107 LYS N . 50214 1 115 . 1 . 1 65 65 SER H H 1 7.525 0.000 . 1 . . . . . 108 SER H . 50214 1 116 . 1 . 1 65 65 SER N N 15 114.819 0.000 . 1 . . . . . 108 SER N . 50214 1 117 . 1 . 1 66 66 ILE H H 1 6.869 0.000 . 1 . . . . . 109 ILE H . 50214 1 118 . 1 . 1 66 66 ILE N N 15 121.666 0.000 . 1 . . . . . 109 ILE N . 50214 1 119 . 1 . 1 69 69 GLU H H 1 8.518 0.000 . 1 . . . . . 112 GLU H . 50214 1 120 . 1 . 1 69 69 GLU N N 15 117.782 0.000 . 1 . . . . . 112 GLU N . 50214 1 121 . 1 . 1 70 70 TRP H H 1 7.845 0.000 . 1 . . . . . 113 TRP H . 50214 1 122 . 1 . 1 70 70 TRP N N 15 119.121 0.000 . 1 . . . . . 113 TRP N . 50214 1 123 . 1 . 1 71 71 LEU H H 1 7.204 0.000 . 1 . . . . . 114 LEU H . 50214 1 124 . 1 . 1 71 71 LEU N N 15 112.926 0.000 . 1 . . . . . 114 LEU N . 50214 1 125 . 1 . 1 72 72 LYS H H 1 6.939 0.000 . 1 . . . . . 115 LYS H . 50214 1 126 . 1 . 1 72 72 LYS N N 15 113.292 0.000 . 1 . . . . . 115 LYS N . 50214 1 127 . 1 . 1 73 73 THR H H 1 7.297 0.000 . 1 . . . . . 116 THR H . 50214 1 128 . 1 . 1 73 73 THR N N 15 109.348 0.000 . 1 . . . . . 116 THR N . 50214 1 129 . 1 . 1 74 74 ASN H H 1 8.120 0.000 . 1 . . . . . 117 ASN H . 50214 1 130 . 1 . 1 74 74 ASN N N 15 119.526 0.000 . 1 . . . . . 117 ASN N . 50214 1 131 . 1 . 1 75 75 GLY H H 1 8.298 0.000 . 1 . . . . . 118 GLY H . 50214 1 132 . 1 . 1 75 75 GLY N N 15 109.365 0.000 . 1 . . . . . 118 GLY N . 50214 1 133 . 1 . 1 76 76 PHE H H 1 8.007 0.000 . 1 . . . . . 119 PHE H . 50214 1 134 . 1 . 1 76 76 PHE N N 15 119.510 0.000 . 1 . . . . . 119 PHE N . 50214 1 135 . 1 . 1 78 78 GLU H H 1 8.345 0.000 . 1 . . . . . 121 GLU H . 50214 1 136 . 1 . 1 78 78 GLU N N 15 118.523 0.000 . 1 . . . . . 121 GLU N . 50214 1 137 . 1 . 1 79 79 ILE H H 1 9.185 0.000 . 1 . . . . . 122 ILE H . 50214 1 138 . 1 . 1 79 79 ILE N N 15 121.643 0.000 . 1 . . . . . 122 ILE N . 50214 1 139 . 1 . 1 80 80 GLU H H 1 8.774 0.000 . 1 . . . . . 123 GLU H . 50214 1 140 . 1 . 1 80 80 GLU N N 15 127.682 0.000 . 1 . . . . . 123 GLU N . 50214 1 141 . 1 . 1 81 81 THR H H 1 9.120 0.000 . 1 . . . . . 124 THR H . 50214 1 142 . 1 . 1 81 81 THR N N 15 117.398 0.000 . 1 . . . . . 124 THR N . 50214 1 143 . 1 . 1 82 82 ASN H H 1 8.423 0.000 . 1 . . . . . 125 ASN H . 50214 1 144 . 1 . 1 82 82 ASN N N 15 121.703 0.000 . 1 . . . . . 125 ASN N . 50214 1 145 . 1 . 1 84 84 ASP H H 1 8.434 0.000 . 1 . . . . . 127 ASP H . 50214 1 146 . 1 . 1 84 84 ASP N N 15 123.955 0.000 . 1 . . . . . 127 ASP N . 50214 1 147 . 1 . 1 85 85 ALA H H 1 8.090 0.000 . 1 . . . . . 128 ALA H . 50214 1 148 . 1 . 1 85 85 ALA N N 15 124.177 0.000 . 1 . . . . . 128 ALA N . 50214 1 149 . 1 . 1 86 86 THR H H 1 7.993 0.000 . 1 . . . . . 129 THR H . 50214 1 150 . 1 . 1 86 86 THR N N 15 113.545 0.000 . 1 . . . . . 129 THR N . 50214 1 151 . 1 . 1 87 87 SER H H 1 8.317 0.000 . 1 . . . . . 130 SER H . 50214 1 152 . 1 . 1 87 87 SER N N 15 117.000 0.000 . 1 . . . . . 130 SER N . 50214 1 153 . 1 . 1 88 88 THR H H 1 8.102 0.000 . 1 . . . . . 131 THR H . 50214 1 154 . 1 . 1 88 88 THR N N 15 116.842 0.000 . 1 . . . . . 131 THR N . 50214 1 155 . 1 . 1 89 89 LEU H H 1 8.098 0.000 . 1 . . . . . 132 LEU H . 50214 1 156 . 1 . 1 89 89 LEU N N 15 123.421 0.000 . 1 . . . . . 132 LEU N . 50214 1 157 . 1 . 1 91 91 SER H H 1 7.957 0.000 . 1 . . . . . 134 SER H . 50214 1 158 . 1 . 1 91 91 SER N N 15 115.860 0.000 . 1 . . . . . 134 SER N . 50214 1 159 . 1 . 1 92 92 GLU H H 1 8.165 0.000 . 1 . . . . . 135 GLU H . 50214 1 160 . 1 . 1 92 92 GLU N N 15 120.002 0.000 . 1 . . . . . 135 GLU N . 50214 1 161 . 1 . 1 93 93 ASP H H 1 8.175 0.000 . 1 . . . . . 136 ASP H . 50214 1 162 . 1 . 1 93 93 ASP N N 15 119.779 0.000 . 1 . . . . . 136 ASP N . 50214 1 163 . 1 . 1 94 94 HIS H H 1 8.300 0.000 . 1 . . . . . 137 HIS H . 50214 1 164 . 1 . 1 94 94 HIS N N 15 119.275 0.000 . 1 . . . . . 137 HIS N . 50214 1 165 . 1 . 1 95 95 SER H H 1 8.461 0.000 . 1 . . . . . 138 SER H . 50214 1 166 . 1 . 1 95 95 SER N N 15 117.427 0.000 . 1 . . . . . 138 SER N . 50214 1 167 . 1 . 1 97 97 GLN H H 1 8.215 0.000 . 1 . . . . . 140 GLN H . 50214 1 168 . 1 . 1 97 97 GLN N N 15 117.754 0.000 . 1 . . . . . 140 GLN N . 50214 1 169 . 1 . 1 98 98 GLU H H 1 8.099 0.000 . 1 . . . . . 141 GLU H . 50214 1 170 . 1 . 1 98 98 GLU N N 15 120.432 0.000 . 1 . . . . . 141 GLU N . 50214 1 171 . 1 . 1 101 101 LYS H H 1 9.056 0.000 . 1 . . . . . 144 LYS H . 50214 1 172 . 1 . 1 101 101 LYS N N 15 119.674 0.000 . 1 . . . . . 144 LYS N . 50214 1 173 . 1 . 1 103 103 VAL H H 1 7.646 0.000 . 1 . . . . . 146 VAL H . 50214 1 174 . 1 . 1 103 103 VAL N N 15 120.772 0.000 . 1 . . . . . 146 VAL N . 50214 1 175 . 1 . 1 104 104 ARG H H 1 8.474 0.000 . 1 . . . . . 147 ARG H . 50214 1 176 . 1 . 1 104 104 ARG N N 15 122.095 0.000 . 1 . . . . . 147 ARG N . 50214 1 177 . 1 . 1 105 105 GLU H H 1 7.874 0.000 . 1 . . . . . 148 GLU H . 50214 1 178 . 1 . 1 105 105 GLU N N 15 120.421 0.000 . 1 . . . . . 148 GLU N . 50214 1 179 . 1 . 1 107 107 ASP H H 1 8.336 0.000 . 1 . . . . . 150 ASP H . 50214 1 180 . 1 . 1 107 107 ASP N N 15 120.286 0.000 . 1 . . . . . 150 ASP N . 50214 1 181 . 1 . 1 109 109 ASP H H 1 8.169 0.000 . 1 . . . . . 152 ASP H . 50214 1 182 . 1 . 1 109 109 ASP N N 15 119.441 0.000 . 1 . . . . . 152 ASP N . 50214 1 183 . 1 . 1 110 110 ALA H H 1 7.879 0.000 . 1 . . . . . 153 ALA H . 50214 1 184 . 1 . 1 110 110 ALA N N 15 124.068 0.000 . 1 . . . . . 153 ALA N . 50214 1 185 . 1 . 1 111 111 GLU H H 1 8.244 0.000 . 1 . . . . . 154 GLU H . 50214 1 186 . 1 . 1 111 111 GLU N N 15 119.756 0.000 . 1 . . . . . 154 GLU N . 50214 1 187 . 1 . 1 114 114 HIS H H 1 8.257 0.000 . 1 . . . . . 157 HIS H . 50214 1 188 . 1 . 1 114 114 HIS N N 15 126.131 0.000 . 1 . . . . . 157 HIS N . 50214 1 189 . 1 . 1 115 115 SER H H 1 9.077 0.000 . 1 . . . . . 158 SER H . 50214 1 190 . 1 . 1 115 115 SER N N 15 121.413 0.000 . 1 . . . . . 158 SER N . 50214 1 191 . 1 . 1 117 117 ALA H H 1 9.371 0.000 . 1 . . . . . 160 ALA H . 50214 1 192 . 1 . 1 117 117 ALA N N 15 128.972 0.000 . 1 . . . . . 160 ALA N . 50214 1 193 . 1 . 1 118 118 VAL H H 1 8.769 0.000 . 1 . . . . . 161 VAL H . 50214 1 194 . 1 . 1 118 118 VAL N N 15 123.328 0.000 . 1 . . . . . 161 VAL N . 50214 1 195 . 1 . 1 119 119 ASN H H 1 8.789 0.000 . 1 . . . . . 162 ASN H . 50214 1 196 . 1 . 1 119 119 ASN N N 15 127.390 0.000 . 1 . . . . . 162 ASN N . 50214 1 197 . 1 . 1 120 120 ILE H H 1 8.939 0.000 . 1 . . . . . 163 ILE H . 50214 1 198 . 1 . 1 120 120 ILE N N 15 125.343 0.000 . 1 . . . . . 163 ILE N . 50214 1 199 . 1 . 1 121 121 TYR H H 1 9.478 0.000 . 1 . . . . . 164 TYR H . 50214 1 200 . 1 . 1 121 121 TYR N N 15 131.591 0.000 . 1 . . . . . 164 TYR N . 50214 1 201 . 1 . 1 123 123 ALA H H 1 8.832 0.000 . 1 . . . . . 166 ALA H . 50214 1 202 . 1 . 1 123 123 ALA N N 15 124.621 0.000 . 1 . . . . . 166 ALA N . 50214 1 203 . 1 . 1 124 124 THR H H 1 9.161 0.000 . 1 . . . . . 167 THR H . 50214 1 204 . 1 . 1 124 124 THR N N 15 114.373 0.000 . 1 . . . . . 167 THR N . 50214 1 205 . 1 . 1 125 125 ALA H H 1 8.626 0.000 . 1 . . . . . 168 ALA H . 50214 1 206 . 1 . 1 125 125 ALA N N 15 120.841 0.000 . 1 . . . . . 168 ALA N . 50214 1 207 . 1 . 1 126 126 ARG H H 1 7.967 0.000 . 1 . . . . . 169 ARG H . 50214 1 208 . 1 . 1 126 126 ARG N N 15 113.540 0.000 . 1 . . . . . 169 ARG N . 50214 1 209 . 1 . 1 127 127 MET H H 1 7.477 0.000 . 1 . . . . . 170 MET H . 50214 1 210 . 1 . 1 127 127 MET N N 15 121.934 0.000 . 1 . . . . . 170 MET N . 50214 1 211 . 1 . 1 129 129 GLN H H 1 8.651 0.000 . 1 . . . . . 172 GLN H . 50214 1 212 . 1 . 1 129 129 GLN N N 15 120.107 0.000 . 1 . . . . . 172 GLN N . 50214 1 213 . 1 . 1 130 130 LEU H H 1 8.179 0.000 . 1 . . . . . 173 LEU H . 50214 1 214 . 1 . 1 130 130 LEU N N 15 126.331 0.000 . 1 . . . . . 173 LEU N . 50214 1 215 . 1 . 1 131 131 THR H H 1 8.974 0.000 . 1 . . . . . 174 THR H . 50214 1 216 . 1 . 1 131 131 THR N N 15 120.764 0.000 . 1 . . . . . 174 THR N . 50214 1 217 . 1 . 1 132 132 ILE H H 1 9.737 0.000 . 1 . . . . . 175 ILE H . 50214 1 218 . 1 . 1 132 132 ILE N N 15 128.788 0.000 . 1 . . . . . 175 ILE N . 50214 1 219 . 1 . 1 133 133 VAL H H 1 9.821 0.000 . 1 . . . . . 176 VAL H . 50214 1 220 . 1 . 1 133 133 VAL N N 15 133.311 0.000 . 1 . . . . . 176 VAL N . 50214 1 221 . 1 . 1 134 134 VAL H H 1 9.063 0.000 . 1 . . . . . 177 VAL H . 50214 1 222 . 1 . 1 134 134 VAL N N 15 126.477 0.000 . 1 . . . . . 177 VAL N . 50214 1 223 . 1 . 1 135 135 VAL H H 1 9.306 0.000 . 1 . . . . . 178 VAL H . 50214 1 224 . 1 . 1 135 135 VAL N N 15 127.824 0.000 . 1 . . . . . 178 VAL N . 50214 1 225 . 1 . 1 136 136 ASP H H 1 8.829 0.000 . 1 . . . . . 179 ASP H . 50214 1 226 . 1 . 1 136 136 ASP N N 15 127.388 0.000 . 1 . . . . . 179 ASP N . 50214 1 227 . 1 . 1 140 140 ILE H H 1 8.364 0.000 . 1 . . . . . 183 ILE H . 50214 1 228 . 1 . 1 140 140 ILE N N 15 121.759 0.000 . 1 . . . . . 183 ILE N . 50214 1 229 . 1 . 1 143 143 LYS H H 1 8.551 0.000 . 1 . . . . . 186 LYS H . 50214 1 230 . 1 . 1 143 143 LYS N N 15 120.724 0.000 . 1 . . . . . 186 LYS N . 50214 1 231 . 1 . 1 144 144 ARG H H 1 8.216 0.000 . 1 . . . . . 187 ARG H . 50214 1 232 . 1 . 1 144 144 ARG N N 15 122.444 0.000 . 1 . . . . . 187 ARG N . 50214 1 233 . 1 . 1 145 145 SER H H 1 8.319 0.000 . 1 . . . . . 188 SER H . 50214 1 234 . 1 . 1 145 145 SER N N 15 116.727 0.000 . 1 . . . . . 188 SER N . 50214 1 235 . 1 . 1 146 146 TYR H H 1 8.147 0.000 . 1 . . . . . 189 TYR H . 50214 1 236 . 1 . 1 146 146 TYR N N 15 122.685 0.000 . 1 . . . . . 189 TYR N . 50214 1 237 . 1 . 1 147 147 MET H H 1 8.017 0.000 . 1 . . . . . 190 MET H . 50214 1 238 . 1 . 1 147 147 MET N N 15 121.748 0.000 . 1 . . . . . 190 MET N . 50214 1 239 . 1 . 1 148 148 HIS H H 1 8.389 0.000 . 1 . . . . . 191 HIS H . 50214 1 240 . 1 . 1 148 148 HIS N N 15 119.751 0.000 . 1 . . . . . 191 HIS N . 50214 1 241 . 1 . 1 149 149 HIS H H 1 8.445 0.000 . 1 . . . . . 192 HIS H . 50214 1 242 . 1 . 1 149 149 HIS N N 15 119.608 0.000 . 1 . . . . . 192 HIS N . 50214 1 243 . 1 . 1 150 150 HIS H H 1 8.641 0.000 . 1 . . . . . 193 HIS H . 50214 1 244 . 1 . 1 150 150 HIS N N 15 120.515 0.000 . 1 . . . . . 193 HIS N . 50214 1 245 . 1 . 1 151 151 HIS H H 1 8.708 0.000 . 1 . . . . . 194 HIS H . 50214 1 246 . 1 . 1 151 151 HIS N N 15 121.094 0.000 . 1 . . . . . 194 HIS N . 50214 1 247 . 1 . 1 152 152 HIS H H 1 8.652 0.000 . 1 . . . . . 195 HIS H . 50214 1 248 . 1 . 1 152 152 HIS N N 15 121.301 0.000 . 1 . . . . . 195 HIS N . 50214 1 249 . 1 . 1 153 153 HIS H H 1 8.208 0.000 . 1 . . . . . 196 HIS H . 50214 1 250 . 1 . 1 153 153 HIS N N 15 126.109 0.000 . 1 . . . . . 196 HIS N . 50214 1 stop_ save_