################################### # 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 27719 _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 '2D 1H-15N HSQC' . . . 27719 1 2 '3D 1H-15N NOESY' . . . 27719 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 4 4 THR H H 1 8.579 0.020 . 1 . . . . . 2 THR H . 27719 1 2 . 1 . 1 4 4 THR N N 15 122.798 0.3 . 1 . . . . . 2 THR N . 27719 1 3 . 1 . 1 5 5 GLU H H 1 8.340 0.020 . 1 . . . . . 3 GLU H . 27719 1 4 . 1 . 1 5 5 GLU N N 15 126.884 0.3 . 1 . . . . . 3 GLU N . 27719 1 5 . 1 . 1 6 6 TYR H H 1 8.759 0.020 . 1 . . . . . 4 TYR H . 27719 1 6 . 1 . 1 6 6 TYR N N 15 121.762 0.3 . 1 . . . . . 4 TYR N . 27719 1 7 . 1 . 1 7 7 LYS H H 1 9.171 0.020 . 1 . . . . . 5 LYS H . 27719 1 8 . 1 . 1 7 7 LYS N N 15 124.680 0.3 . 1 . . . . . 5 LYS N . 27719 1 9 . 1 . 1 8 8 LEU H H 1 9.572 0.020 . 1 . . . . . 6 LEU H . 27719 1 10 . 1 . 1 8 8 LEU N N 15 126.925 0.3 . 1 . . . . . 6 LEU N . 27719 1 11 . 1 . 1 9 9 VAL H H 1 7.892 0.020 . 1 . . . . . 7 VAL H . 27719 1 12 . 1 . 1 9 9 VAL N N 15 120.214 0.3 . 1 . . . . . 7 VAL N . 27719 1 13 . 1 . 1 10 10 VAL H H 1 8.990 0.020 . 1 . . . . . 8 VAL H . 27719 1 14 . 1 . 1 10 10 VAL N N 15 129.213 0.3 . 1 . . . . . 8 VAL N . 27719 1 15 . 1 . 1 11 11 VAL H H 1 9.207 0.020 . 1 . . . . . 9 VAL H . 27719 1 16 . 1 . 1 11 11 VAL N N 15 121.030 0.3 . 1 . . . . . 9 VAL N . 27719 1 17 . 1 . 1 12 12 GLY H H 1 7.193 0.020 . 1 . . . . . 10 GLY H . 27719 1 18 . 1 . 1 12 12 GLY N N 15 107.718 0.3 . 1 . . . . . 10 GLY N . 27719 1 19 . 1 . 1 13 13 ALA H H 1 9.193 0.020 . 1 . . . . . 11 ALA H . 27719 1 20 . 1 . 1 13 13 ALA N N 15 123.814 0.3 . 1 . . . . . 11 ALA N . 27719 1 21 . 1 . 1 14 14 ASP H H 1 8.486 0.020 . 1 . . . . . 12 ASP H . 27719 1 22 . 1 . 1 14 14 ASP N N 15 118.999 0.3 . 1 . . . . . 12 ASP N . 27719 1 23 . 1 . 1 15 15 GLY H H 1 11.018 0.020 . 1 . . . . . 13 GLY H . 27719 1 24 . 1 . 1 15 15 GLY N N 15 113.225 0.3 . 1 . . . . . 13 GLY N . 27719 1 25 . 1 . 1 16 16 VAL H H 1 7.833 0.020 . 1 . . . . . 14 VAL H . 27719 1 26 . 1 . 1 16 16 VAL N N 15 114.159 0.3 . 1 . . . . . 14 VAL N . 27719 1 27 . 1 . 1 17 17 GLY H H 1 8.843 0.020 . 1 . . . . . 15 GLY H . 27719 1 28 . 1 . 1 17 17 GLY N N 15 110.388 0.3 . 1 . . . . . 15 GLY N . 27719 1 29 . 1 . 1 18 18 LYS H H 1 10.757 0.020 . 1 . . . . . 16 LYS H . 27719 1 30 . 1 . 1 18 18 LYS N N 15 126.139 0.3 . 1 . . . . . 16 LYS N . 27719 1 31 . 1 . 1 19 19 SER H H 1 9.467 0.020 . 1 . . . . . 17 SER H . 27719 1 32 . 1 . 1 19 19 SER N N 15 120.467 0.3 . 1 . . . . . 17 SER N . 27719 1 33 . 1 . 1 20 20 ALA H H 1 9.504 0.020 . 1 . . . . . 18 ALA H . 27719 1 34 . 1 . 1 20 20 ALA N N 15 125.581 0.3 . 1 . . . . . 18 ALA N . 27719 1 35 . 1 . 1 21 21 LEU H H 1 9.060 0.020 . 1 . . . . . 19 LEU H . 27719 1 36 . 1 . 1 21 21 LEU N N 15 120.476 0.3 . 1 . . . . . 19 LEU N . 27719 1 37 . 1 . 1 22 22 THR H H 1 7.728 0.020 . 1 . . . . . 20 THR H . 27719 1 38 . 1 . 1 22 22 THR N N 15 116.984 0.3 . 1 . . . . . 20 THR N . 27719 1 39 . 1 . 1 23 23 ILE H H 1 8.927 0.020 . 1 . . . . . 21 ILE H . 27719 1 40 . 1 . 1 23 23 ILE N N 15 120.799 0.3 . 1 . . . . . 21 ILE N . 27719 1 41 . 1 . 1 24 24 GLN H H 1 7.906 0.020 . 1 . . . . . 22 GLN H . 27719 1 42 . 1 . 1 24 24 GLN N N 15 120.968 0.3 . 1 . . . . . 22 GLN N . 27719 1 43 . 1 . 1 25 25 LEU H H 1 7.682 0.020 . 1 . . . . . 23 LEU H . 27719 1 44 . 1 . 1 25 25 LEU N N 15 120.779 0.3 . 1 . . . . . 23 LEU N . 27719 1 45 . 1 . 1 26 26 ILE H H 1 8.059 0.020 . 1 . . . . . 24 ILE H . 27719 1 46 . 1 . 1 26 26 ILE N N 15 114.217 0.3 . 1 . . . . . 24 ILE N . 27719 1 47 . 1 . 1 27 27 GLN H H 1 9.032 0.020 . 1 . . . . . 25 GLN H . 27719 1 48 . 1 . 1 27 27 GLN N N 15 116.245 0.3 . 1 . . . . . 25 GLN N . 27719 1 49 . 1 . 1 28 28 ASN H H 1 7.984 0.020 . 1 . . . . . 26 ASN H . 27719 1 50 . 1 . 1 28 28 ASN N N 15 116.014 0.3 . 1 . . . . . 26 ASN N . 27719 1 51 . 1 . 1 29 29 HIS H H 1 6.804 0.020 . 1 . . . . . 27 HIS H . 27719 1 52 . 1 . 1 29 29 HIS N N 15 112.112 0.3 . 1 . . . . . 27 HIS N . 27719 1 53 . 1 . 1 30 30 PHE H H 1 8.444 0.020 . 1 . . . . . 28 PHE H . 27719 1 54 . 1 . 1 30 30 PHE N N 15 121.982 0.3 . 1 . . . . . 28 PHE N . 27719 1 55 . 1 . 1 31 31 VAL H H 1 7.793 0.020 . 1 . . . . . 29 VAL H . 27719 1 56 . 1 . 1 31 31 VAL N N 15 126.468 0.3 . 1 . . . . . 29 VAL N . 27719 1 57 . 1 . 1 32 32 ASP H H 1 7.752 0.020 . 1 . . . . . 30 ASP H . 27719 1 58 . 1 . 1 32 32 ASP N N 15 122.246 0.3 . 1 . . . . . 30 ASP N . 27719 1 59 . 1 . 1 33 33 GLU H H 1 7.683 0.020 . 1 . . . . . 31 GLU H . 27719 1 60 . 1 . 1 33 33 GLU N N 15 119.526 0.3 . 1 . . . . . 31 GLU N . 27719 1 61 . 1 . 1 34 34 TYR H H 1 8.821 0.020 . 1 . . . . . 32 TYR H . 27719 1 62 . 1 . 1 34 34 TYR N N 15 125.660 0.3 . 1 . . . . . 32 TYR N . 27719 1 63 . 1 . 1 35 35 ASP H H 1 7.924 0.020 . 1 . . . . . 33 ASP H . 27719 1 64 . 1 . 1 35 35 ASP N N 15 128.706 0.3 . 1 . . . . . 33 ASP N . 27719 1 65 . 1 . 1 37 37 THR H H 1 8.934 0.020 . 1 . . . . . 35 THR H . 27719 1 66 . 1 . 1 37 37 THR N N 15 110.213 0.3 . 1 . . . . . 35 THR N . 27719 1 67 . 1 . 1 38 38 ILE H H 1 6.895 0.020 . 1 . . . . . 36 ILE H . 27719 1 68 . 1 . 1 38 38 ILE N N 15 120.904 0.3 . 1 . . . . . 36 ILE N . 27719 1 69 . 1 . 1 39 39 GLU H H 1 8.433 0.020 . 1 . . . . . 37 GLU H . 27719 1 70 . 1 . 1 39 39 GLU N N 15 132.074 0.3 . 1 . . . . . 37 GLU N . 27719 1 71 . 1 . 1 40 40 ASP H H 1 8.171 0.020 . 1 . . . . . 38 ASP H . 27719 1 72 . 1 . 1 40 40 ASP N N 15 124.442 0.3 . 1 . . . . . 38 ASP N . 27719 1 73 . 1 . 1 41 41 SER H H 1 8.400 0.020 . 1 . . . . . 39 SER H . 27719 1 74 . 1 . 1 41 41 SER N N 15 114.103 0.3 . 1 . . . . . 39 SER N . 27719 1 75 . 1 . 1 42 42 TYR H H 1 9.104 0.020 . 1 . . . . . 40 TYR H . 27719 1 76 . 1 . 1 42 42 TYR N N 15 121.216 0.3 . 1 . . . . . 40 TYR N . 27719 1 77 . 1 . 1 43 43 ARG H H 1 8.406 0.020 . 1 . . . . . 41 ARG H . 27719 1 78 . 1 . 1 43 43 ARG N N 15 120.260 0.3 . 1 . . . . . 41 ARG N . 27719 1 79 . 1 . 1 44 44 LYS H H 1 8.634 0.020 . 1 . . . . . 42 LYS H . 27719 1 80 . 1 . 1 44 44 LYS N N 15 121.979 0.3 . 1 . . . . . 42 LYS N . 27719 1 81 . 1 . 1 45 45 GLN H H 1 8.848 0.020 . 1 . . . . . 43 GLN H . 27719 1 82 . 1 . 1 45 45 GLN N N 15 129.002 0.3 . 1 . . . . . 43 GLN N . 27719 1 83 . 1 . 1 46 46 VAL H H 1 9.099 0.020 . 1 . . . . . 44 VAL H . 27719 1 84 . 1 . 1 46 46 VAL N N 15 121.809 0.3 . 1 . . . . . 44 VAL N . 27719 1 85 . 1 . 1 47 47 VAL H H 1 8.138 0.020 . 1 . . . . . 45 VAL H . 27719 1 86 . 1 . 1 47 47 VAL N N 15 122.283 0.3 . 1 . . . . . 45 VAL N . 27719 1 87 . 1 . 1 48 48 ILE H H 1 8.309 0.020 . 1 . . . . . 46 ILE H . 27719 1 88 . 1 . 1 48 48 ILE N N 15 125.907 0.3 . 1 . . . . . 46 ILE N . 27719 1 89 . 1 . 1 49 49 ASP H H 1 9.540 0.020 . 1 . . . . . 47 ASP H . 27719 1 90 . 1 . 1 49 49 ASP N N 15 130.408 0.3 . 1 . . . . . 47 ASP N . 27719 1 91 . 1 . 1 50 50 GLY H H 1 8.297 0.020 . 1 . . . . . 48 GLY H . 27719 1 92 . 1 . 1 50 50 GLY N N 15 103.447 0.3 . 1 . . . . . 48 GLY N . 27719 1 93 . 1 . 1 51 51 GLU H H 1 7.696 0.020 . 1 . . . . . 49 GLU H . 27719 1 94 . 1 . 1 51 51 GLU N N 15 122.687 0.3 . 1 . . . . . 49 GLU N . 27719 1 95 . 1 . 1 52 52 THR H H 1 9.039 0.020 . 1 . . . . . 50 THR H . 27719 1 96 . 1 . 1 52 52 THR N N 15 125.836 0.3 . 1 . . . . . 50 THR N . 27719 1 97 . 1 . 1 53 53 CYS H H 1 9.384 0.020 . 1 . . . . . 51 CYS H . 27719 1 98 . 1 . 1 53 53 CYS N N 15 125.001 0.3 . 1 . . . . . 51 CYS N . 27719 1 99 . 1 . 1 54 54 LEU H H 1 8.815 0.020 . 1 . . . . . 52 LEU H . 27719 1 100 . 1 . 1 54 54 LEU N N 15 122.829 0.3 . 1 . . . . . 52 LEU N . 27719 1 101 . 1 . 1 55 55 LEU H H 1 9.089 0.020 . 1 . . . . . 53 LEU H . 27719 1 102 . 1 . 1 55 55 LEU N N 15 123.869 0.3 . 1 . . . . . 53 LEU N . 27719 1 103 . 1 . 1 56 56 ASP H H 1 8.707 0.020 . 1 . . . . . 54 ASP H . 27719 1 104 . 1 . 1 56 56 ASP N N 15 125.685 0.3 . 1 . . . . . 54 ASP N . 27719 1 105 . 1 . 1 57 57 ILE H H 1 9.189 0.020 . 1 . . . . . 55 ILE H . 27719 1 106 . 1 . 1 57 57 ILE N N 15 124.455 0.3 . 1 . . . . . 55 ILE N . 27719 1 107 . 1 . 1 58 58 LEU H H 1 8.686 0.020 . 1 . . . . . 56 LEU H . 27719 1 108 . 1 . 1 58 58 LEU N N 15 127.502 0.3 . 1 . . . . . 56 LEU N . 27719 1 109 . 1 . 1 59 59 ASP H H 1 8.484 0.020 . 1 . . . . . 57 ASP H . 27719 1 110 . 1 . 1 59 59 ASP N N 15 129.119 0.3 . 1 . . . . . 57 ASP N . 27719 1 111 . 1 . 1 60 60 THR H H 1 6.850 0.020 . 1 . . . . . 58 THR H . 27719 1 112 . 1 . 1 60 60 THR N N 15 110.286 0.3 . 1 . . . . . 58 THR N . 27719 1 113 . 1 . 1 61 61 ALA H H 1 8.967 0.020 . 1 . . . . . 59 ALA H . 27719 1 114 . 1 . 1 61 61 ALA N N 15 122.427 0.3 . 1 . . . . . 59 ALA N . 27719 1 115 . 1 . 1 62 62 GLY H H 1 9.089 0.020 . 1 . . . . . 60 GLY H . 27719 1 116 . 1 . 1 62 62 GLY N N 15 110.460 0.3 . 1 . . . . . 60 GLY N . 27719 1 117 . 1 . 1 63 63 GLN H H 1 8.595 0.020 . 1 . . . . . 61 GLN H . 27719 1 118 . 1 . 1 63 63 GLN N N 15 119.154 0.3 . 1 . . . . . 61 GLN N . 27719 1 119 . 1 . 1 64 64 GLU H H 1 8.653 0.020 . 1 . . . . . 62 GLU H . 27719 1 120 . 1 . 1 64 64 GLU N N 15 120.403 0.3 . 1 . . . . . 62 GLU N . 27719 1 121 . 1 . 1 65 65 GLU H H 1 8.347 0.020 . 1 . . . . . 63 GLU H . 27719 1 122 . 1 . 1 65 65 GLU N N 15 120.237 0.3 . 1 . . . . . 63 GLU N . 27719 1 123 . 1 . 1 66 66 TYR H H 1 8.307 0.020 . 1 . . . . . 64 TYR H . 27719 1 124 . 1 . 1 66 66 TYR N N 15 120.833 0.3 . 1 . . . . . 64 TYR N . 27719 1 125 . 1 . 1 67 67 SER H H 1 7.890 0.020 . 1 . . . . . 65 SER H . 27719 1 126 . 1 . 1 67 67 SER N N 15 120.243 0.3 . 1 . . . . . 65 SER N . 27719 1 127 . 1 . 1 68 68 ALA H H 1 8.822 0.020 . 1 . . . . . 66 ALA H . 27719 1 128 . 1 . 1 68 68 ALA N N 15 128.509 0.3 . 1 . . . . . 66 ALA N . 27719 1 129 . 1 . 1 69 69 MET H H 1 8.313 0.020 . 1 . . . . . 67 MET H . 27719 1 130 . 1 . 1 69 69 MET N N 15 117.801 0.3 . 1 . . . . . 67 MET N . 27719 1 131 . 1 . 1 70 70 ARG H H 1 7.928 0.020 . 1 . . . . . 68 ARG H . 27719 1 132 . 1 . 1 70 70 ARG N N 15 120.947 0.3 . 1 . . . . . 68 ARG N . 27719 1 133 . 1 . 1 71 71 ASP H H 1 8.195 0.020 . 1 . . . . . 69 ASP H . 27719 1 134 . 1 . 1 71 71 ASP N N 15 118.437 0.3 . 1 . . . . . 69 ASP N . 27719 1 135 . 1 . 1 72 72 GLN H H 1 7.842 0.020 . 1 . . . . . 70 GLN H . 27719 1 136 . 1 . 1 72 72 GLN N N 15 117.562 0.3 . 1 . . . . . 70 GLN N . 27719 1 137 . 1 . 1 73 73 TYR H H 1 8.267 0.020 . 1 . . . . . 71 TYR H . 27719 1 138 . 1 . 1 73 73 TYR N N 15 120.338 0.3 . 1 . . . . . 71 TYR N . 27719 1 139 . 1 . 1 74 74 MET H H 1 8.665 0.020 . 1 . . . . . 72 MET H . 27719 1 140 . 1 . 1 74 74 MET N N 15 118.790 0.3 . 1 . . . . . 72 MET N . 27719 1 141 . 1 . 1 75 75 ARG H H 1 7.975 0.020 . 1 . . . . . 73 ARG H . 27719 1 142 . 1 . 1 75 75 ARG N N 15 115.454 0.3 . 1 . . . . . 73 ARG N . 27719 1 143 . 1 . 1 76 76 THR H H 1 7.945 0.020 . 1 . . . . . 74 THR H . 27719 1 144 . 1 . 1 76 76 THR N N 15 108.003 0.3 . 1 . . . . . 74 THR N . 27719 1 145 . 1 . 1 77 77 GLY H H 1 8.044 0.020 . 1 . . . . . 75 GLY H . 27719 1 146 . 1 . 1 77 77 GLY N N 15 111.451 0.3 . 1 . . . . . 75 GLY N . 27719 1 147 . 1 . 1 78 78 GLU H H 1 8.932 0.020 . 1 . . . . . 76 GLU H . 27719 1 148 . 1 . 1 78 78 GLU N N 15 121.898 0.3 . 1 . . . . . 76 GLU N . 27719 1 149 . 1 . 1 79 79 GLY H H 1 7.193 0.020 . 1 . . . . . 77 GLY H . 27719 1 150 . 1 . 1 79 79 GLY N N 15 100.907 0.3 . 1 . . . . . 77 GLY N . 27719 1 151 . 1 . 1 80 80 PHE H H 1 8.164 0.020 . 1 . . . . . 78 PHE H . 27719 1 152 . 1 . 1 80 80 PHE N N 15 121.343 0.3 . 1 . . . . . 78 PHE N . 27719 1 153 . 1 . 1 81 81 LEU H H 1 9.238 0.020 . 1 . . . . . 79 LEU H . 27719 1 154 . 1 . 1 81 81 LEU N N 15 126.927 0.3 . 1 . . . . . 79 LEU N . 27719 1 155 . 1 . 1 82 82 CYS H H 1 8.753 0.020 . 1 . . . . . 80 CYS H . 27719 1 156 . 1 . 1 82 82 CYS N N 15 124.716 0.3 . 1 . . . . . 80 CYS N . 27719 1 157 . 1 . 1 83 83 VAL H H 1 9.001 0.020 . 1 . . . . . 81 VAL H . 27719 1 158 . 1 . 1 83 83 VAL N N 15 126.275 0.3 . 1 . . . . . 81 VAL N . 27719 1 159 . 1 . 1 84 84 PHE H H 1 9.289 0.020 . 1 . . . . . 82 PHE H . 27719 1 160 . 1 . 1 84 84 PHE N N 15 123.528 0.3 . 1 . . . . . 82 PHE N . 27719 1 161 . 1 . 1 85 85 ALA H H 1 8.790 0.020 . 1 . . . . . 83 ALA H . 27719 1 162 . 1 . 1 85 85 ALA N N 15 121.505 0.3 . 1 . . . . . 83 ALA N . 27719 1 163 . 1 . 1 86 86 ILE H H 1 8.500 0.020 . 1 . . . . . 84 ILE H . 27719 1 164 . 1 . 1 86 86 ILE N N 15 113.518 0.3 . 1 . . . . . 84 ILE N . 27719 1 165 . 1 . 1 87 87 ASN H H 1 7.912 0.020 . 1 . . . . . 85 ASN H . 27719 1 166 . 1 . 1 87 87 ASN N N 15 117.112 0.3 . 1 . . . . . 85 ASN N . 27719 1 167 . 1 . 1 88 88 ASN H H 1 7.897 0.020 . 1 . . . . . 86 ASN H . 27719 1 168 . 1 . 1 88 88 ASN N N 15 119.401 0.3 . 1 . . . . . 86 ASN N . 27719 1 169 . 1 . 1 90 90 LYS H H 1 8.463 0.020 . 1 . . . . . 88 LYS H . 27719 1 170 . 1 . 1 90 90 LYS N N 15 124.238 0.3 . 1 . . . . . 88 LYS N . 27719 1 171 . 1 . 1 91 91 SER H H 1 8.119 0.020 . 1 . . . . . 89 SER H . 27719 1 172 . 1 . 1 91 91 SER N N 15 114.442 0.3 . 1 . . . . . 89 SER N . 27719 1 173 . 1 . 1 92 92 PHE H H 1 7.429 0.020 . 1 . . . . . 90 PHE H . 27719 1 174 . 1 . 1 92 92 PHE N N 15 124.554 0.3 . 1 . . . . . 90 PHE N . 27719 1 175 . 1 . 1 93 93 GLU H H 1 8.482 0.020 . 1 . . . . . 91 GLU H . 27719 1 176 . 1 . 1 93 93 GLU N N 15 121.938 0.3 . 1 . . . . . 91 GLU N . 27719 1 177 . 1 . 1 94 94 ASP H H 1 8.526 0.020 . 1 . . . . . 92 ASP H . 27719 1 178 . 1 . 1 94 94 ASP N N 15 117.168 0.3 . 1 . . . . . 92 ASP N . 27719 1 179 . 1 . 1 95 95 ILE H H 1 7.615 0.020 . 1 . . . . . 93 ILE H . 27719 1 180 . 1 . 1 95 95 ILE N N 15 120.625 0.3 . 1 . . . . . 93 ILE N . 27719 1 181 . 1 . 1 96 96 HIS H H 1 7.641 0.020 . 1 . . . . . 94 HIS H . 27719 1 182 . 1 . 1 96 96 HIS N N 15 117.090 0.3 . 1 . . . . . 94 HIS N . 27719 1 183 . 1 . 1 97 97 HIS H H 1 7.226 0.020 . 1 . . . . . 95 HIS H . 27719 1 184 . 1 . 1 97 97 HIS N N 15 117.356 0.3 . 1 . . . . . 95 HIS N . 27719 1 185 . 1 . 1 98 98 TYR H H 1 7.684 0.020 . 1 . . . . . 96 TYR H . 27719 1 186 . 1 . 1 98 98 TYR N N 15 118.858 0.3 . 1 . . . . . 96 TYR N . 27719 1 187 . 1 . 1 99 99 ARG H H 1 8.561 0.020 . 1 . . . . . 97 ARG H . 27719 1 188 . 1 . 1 99 99 ARG N N 15 119.033 0.3 . 1 . . . . . 97 ARG N . 27719 1 189 . 1 . 1 100 100 GLU H H 1 7.954 0.020 . 1 . . . . . 98 GLU H . 27719 1 190 . 1 . 1 100 100 GLU N N 15 117.746 0.3 . 1 . . . . . 98 GLU N . 27719 1 191 . 1 . 1 101 101 GLN H H 1 7.846 0.020 . 1 . . . . . 99 GLN H . 27719 1 192 . 1 . 1 101 101 GLN N N 15 119.526 0.3 . 1 . . . . . 99 GLN N . 27719 1 193 . 1 . 1 102 102 ILE H H 1 7.799 0.020 . 1 . . . . . 100 ILE H . 27719 1 194 . 1 . 1 102 102 ILE N N 15 120.069 0.3 . 1 . . . . . 100 ILE N . 27719 1 195 . 1 . 1 103 103 LYS H H 1 7.844 0.020 . 1 . . . . . 101 LYS H . 27719 1 196 . 1 . 1 103 103 LYS N N 15 117.561 0.3 . 1 . . . . . 101 LYS N . 27719 1 197 . 1 . 1 104 104 ARG H H 1 7.778 0.020 . 1 . . . . . 102 ARG H . 27719 1 198 . 1 . 1 104 104 ARG N N 15 117.554 0.3 . 1 . . . . . 102 ARG N . 27719 1 199 . 1 . 1 105 105 VAL H H 1 8.048 0.020 . 1 . . . . . 103 VAL H . 27719 1 200 . 1 . 1 105 105 VAL N N 15 118.312 0.3 . 1 . . . . . 103 VAL N . 27719 1 201 . 1 . 1 106 106 LYS H H 1 8.018 0.020 . 1 . . . . . 104 LYS H . 27719 1 202 . 1 . 1 106 106 LYS N N 15 116.704 0.3 . 1 . . . . . 104 LYS N . 27719 1 203 . 1 . 1 107 107 ASP H H 1 7.998 0.020 . 1 . . . . . 105 ASP H . 27719 1 204 . 1 . 1 107 107 ASP N N 15 120.929 0.3 . 1 . . . . . 105 ASP N . 27719 1 205 . 1 . 1 108 108 SER H H 1 7.583 0.020 . 1 . . . . . 106 SER H . 27719 1 206 . 1 . 1 108 108 SER N N 15 109.224 0.3 . 1 . . . . . 106 SER N . 27719 1 207 . 1 . 1 109 109 GLU H H 1 8.402 0.020 . 1 . . . . . 107 GLU H . 27719 1 208 . 1 . 1 109 109 GLU N N 15 121.042 0.3 . 1 . . . . . 107 GLU N . 27719 1 209 . 1 . 1 110 110 ASP H H 1 8.405 0.020 . 1 . . . . . 108 ASP H . 27719 1 210 . 1 . 1 110 110 ASP N N 15 121.049 0.3 . 1 . . . . . 108 ASP N . 27719 1 211 . 1 . 1 111 111 VAL H H 1 7.590 0.020 . 1 . . . . . 109 VAL H . 27719 1 212 . 1 . 1 111 111 VAL N N 15 121.774 0.3 . 1 . . . . . 109 VAL N . 27719 1 213 . 1 . 1 113 113 MET H H 1 8.187 0.020 . 1 . . . . . 111 MET H . 27719 1 214 . 1 . 1 113 113 MET N N 15 122.792 0.3 . 1 . . . . . 111 MET N . 27719 1 215 . 1 . 1 114 114 VAL H H 1 8.052 0.020 . 1 . . . . . 112 VAL H . 27719 1 216 . 1 . 1 114 114 VAL N N 15 118.090 0.3 . 1 . . . . . 112 VAL N . 27719 1 217 . 1 . 1 115 115 LEU H H 1 8.961 0.020 . 1 . . . . . 113 LEU H . 27719 1 218 . 1 . 1 115 115 LEU N N 15 128.828 0.3 . 1 . . . . . 113 LEU N . 27719 1 219 . 1 . 1 116 116 VAL H H 1 9.254 0.020 . 1 . . . . . 114 VAL H . 27719 1 220 . 1 . 1 116 116 VAL N N 15 128.240 0.3 . 1 . . . . . 114 VAL N . 27719 1 221 . 1 . 1 117 117 GLY H H 1 8.216 0.020 . 1 . . . . . 115 GLY H . 27719 1 222 . 1 . 1 117 117 GLY N N 15 113.418 0.3 . 1 . . . . . 115 GLY N . 27719 1 223 . 1 . 1 118 118 ASN H H 1 8.844 0.020 . 1 . . . . . 116 ASN H . 27719 1 224 . 1 . 1 118 118 ASN N N 15 121.513 0.3 . 1 . . . . . 116 ASN N . 27719 1 225 . 1 . 1 119 119 LYS H H 1 7.330 0.020 . 1 . . . . . 117 LYS H . 27719 1 226 . 1 . 1 119 119 LYS N N 15 112.043 0.3 . 1 . . . . . 117 LYS N . 27719 1 227 . 1 . 1 120 120 CYS H H 1 8.710 0.020 . 1 . . . . . 118 CYS H . 27719 1 228 . 1 . 1 120 120 CYS N N 15 114.176 0.3 . 1 . . . . . 118 CYS N . 27719 1 229 . 1 . 1 121 121 ASP H H 1 8.614 0.020 . 1 . . . . . 119 ASP H . 27719 1 230 . 1 . 1 121 121 ASP N N 15 116.973 0.3 . 1 . . . . . 119 ASP N . 27719 1 231 . 1 . 1 122 122 LEU H H 1 7.827 0.020 . 1 . . . . . 120 LEU H . 27719 1 232 . 1 . 1 122 122 LEU N N 15 121.638 0.3 . 1 . . . . . 120 LEU N . 27719 1 233 . 1 . 1 124 124 SER H H 1 7.272 0.020 . 1 . . . . . 122 SER H . 27719 1 234 . 1 . 1 124 124 SER N N 15 113.209 0.3 . 1 . . . . . 122 SER N . 27719 1 235 . 1 . 1 125 125 ARG H H 1 7.892 0.020 . 1 . . . . . 123 ARG H . 27719 1 236 . 1 . 1 125 125 ARG N N 15 120.178 0.3 . 1 . . . . . 123 ARG N . 27719 1 237 . 1 . 1 126 126 THR H H 1 9.058 0.020 . 1 . . . . . 124 THR H . 27719 1 238 . 1 . 1 126 126 THR N N 15 114.199 0.3 . 1 . . . . . 124 THR N . 27719 1 239 . 1 . 1 127 127 VAL H H 1 7.585 0.020 . 1 . . . . . 125 VAL H . 27719 1 240 . 1 . 1 127 127 VAL N N 15 124.316 0.3 . 1 . . . . . 125 VAL N . 27719 1 241 . 1 . 1 128 128 ASP H H 1 8.611 0.020 . 1 . . . . . 126 ASP H . 27719 1 242 . 1 . 1 128 128 ASP N N 15 128.480 0.3 . 1 . . . . . 126 ASP N . 27719 1 243 . 1 . 1 129 129 THR H H 1 8.751 0.020 . 1 . . . . . 127 THR H . 27719 1 244 . 1 . 1 129 129 THR N N 15 121.404 0.3 . 1 . . . . . 127 THR N . 27719 1 245 . 1 . 1 130 130 LYS H H 1 8.403 0.020 . 1 . . . . . 128 LYS H . 27719 1 246 . 1 . 1 130 130 LYS N N 15 120.269 0.3 . 1 . . . . . 128 LYS N . 27719 1 247 . 1 . 1 131 131 GLN H H 1 7.355 0.020 . 1 . . . . . 129 GLN H . 27719 1 248 . 1 . 1 131 131 GLN N N 15 117.587 0.3 . 1 . . . . . 129 GLN N . 27719 1 249 . 1 . 1 132 132 ALA H H 1 7.128 0.020 . 1 . . . . . 130 ALA H . 27719 1 250 . 1 . 1 132 132 ALA N N 15 122.502 0.3 . 1 . . . . . 130 ALA N . 27719 1 251 . 1 . 1 133 133 GLN H H 1 8.457 0.020 . 1 . . . . . 131 GLN H . 27719 1 252 . 1 . 1 133 133 GLN N N 15 117.873 0.3 . 1 . . . . . 131 GLN N . 27719 1 253 . 1 . 1 134 134 ASP H H 1 8.545 0.020 . 1 . . . . . 132 ASP H . 27719 1 254 . 1 . 1 134 134 ASP N N 15 120.468 0.3 . 1 . . . . . 132 ASP N . 27719 1 255 . 1 . 1 135 135 LEU H H 1 7.541 0.020 . 1 . . . . . 133 LEU H . 27719 1 256 . 1 . 1 135 135 LEU N N 15 123.642 0.3 . 1 . . . . . 133 LEU N . 27719 1 257 . 1 . 1 136 136 ALA H H 1 8.274 0.020 . 1 . . . . . 134 ALA H . 27719 1 258 . 1 . 1 136 136 ALA N N 15 121.665 0.3 . 1 . . . . . 134 ALA N . 27719 1 259 . 1 . 1 137 137 ARG H H 1 8.499 0.020 . 1 . . . . . 135 ARG H . 27719 1 260 . 1 . 1 137 137 ARG N N 15 118.322 0.3 . 1 . . . . . 135 ARG N . 27719 1 261 . 1 . 1 138 138 SER H H 1 7.961 0.020 . 1 . . . . . 136 SER H . 27719 1 262 . 1 . 1 138 138 SER N N 15 117.725 0.3 . 1 . . . . . 136 SER N . 27719 1 263 . 1 . 1 139 139 TYR H H 1 7.614 0.020 . 1 . . . . . 137 TYR H . 27719 1 264 . 1 . 1 139 139 TYR N N 15 119.861 0.3 . 1 . . . . . 137 TYR N . 27719 1 265 . 1 . 1 140 140 GLY H H 1 8.312 0.020 . 1 . . . . . 138 GLY H . 27719 1 266 . 1 . 1 140 140 GLY N N 15 110.987 0.3 . 1 . . . . . 138 GLY N . 27719 1 267 . 1 . 1 141 141 ILE H H 1 8.056 0.020 . 1 . . . . . 139 ILE H . 27719 1 268 . 1 . 1 141 141 ILE N N 15 112.998 0.3 . 1 . . . . . 139 ILE N . 27719 1 269 . 1 . 1 143 143 PHE H H 1 8.306 0.020 . 1 . . . . . 141 PHE H . 27719 1 270 . 1 . 1 143 143 PHE N N 15 120.238 0.3 . 1 . . . . . 141 PHE N . 27719 1 271 . 1 . 1 144 144 ILE H H 1 8.427 0.020 . 1 . . . . . 142 ILE H . 27719 1 272 . 1 . 1 144 144 ILE N N 15 130.024 0.3 . 1 . . . . . 142 ILE N . 27719 1 273 . 1 . 1 145 145 GLU H H 1 7.800 0.020 . 1 . . . . . 143 GLU H . 27719 1 274 . 1 . 1 145 145 GLU N N 15 125.097 0.3 . 1 . . . . . 143 GLU N . 27719 1 275 . 1 . 1 146 146 THR H H 1 8.798 0.020 . 1 . . . . . 144 THR H . 27719 1 276 . 1 . 1 146 146 THR N N 15 112.251 0.3 . 1 . . . . . 144 THR N . 27719 1 277 . 1 . 1 147 147 SER H H 1 8.801 0.020 . 1 . . . . . 145 SER H . 27719 1 278 . 1 . 1 147 147 SER N N 15 112.535 0.3 . 1 . . . . . 145 SER N . 27719 1 279 . 1 . 1 148 148 ALA H H 1 9.167 0.020 . 1 . . . . . 146 ALA H . 27719 1 280 . 1 . 1 148 148 ALA N N 15 132.549 0.3 . 1 . . . . . 146 ALA N . 27719 1 281 . 1 . 1 149 149 LYS H H 1 7.019 0.020 . 1 . . . . . 147 LYS H . 27719 1 282 . 1 . 1 149 149 LYS N N 15 116.194 0.3 . 1 . . . . . 147 LYS N . 27719 1 283 . 1 . 1 150 150 THR H H 1 7.704 0.020 . 1 . . . . . 148 THR H . 27719 1 284 . 1 . 1 150 150 THR N N 15 106.447 0.3 . 1 . . . . . 148 THR N . 27719 1 285 . 1 . 1 151 151 ARG H H 1 7.820 0.020 . 1 . . . . . 149 ARG H . 27719 1 286 . 1 . 1 151 151 ARG N N 15 119.731 0.3 . 1 . . . . . 149 ARG N . 27719 1 287 . 1 . 1 152 152 GLN H H 1 7.819 0.020 . 1 . . . . . 150 GLN H . 27719 1 288 . 1 . 1 152 152 GLN N N 15 124.317 0.3 . 1 . . . . . 150 GLN N . 27719 1 289 . 1 . 1 153 153 GLY H H 1 8.929 0.020 . 1 . . . . . 151 GLY H . 27719 1 290 . 1 . 1 153 153 GLY N N 15 115.359 0.3 . 1 . . . . . 151 GLY N . 27719 1 291 . 1 . 1 154 154 VAL H H 1 7.039 0.020 . 1 . . . . . 152 VAL H . 27719 1 292 . 1 . 1 154 154 VAL N N 15 120.574 0.3 . 1 . . . . . 152 VAL N . 27719 1 293 . 1 . 1 155 155 ASP H H 1 7.949 0.020 . 1 . . . . . 153 ASP H . 27719 1 294 . 1 . 1 155 155 ASP N N 15 117.165 0.3 . 1 . . . . . 153 ASP N . 27719 1 295 . 1 . 1 156 156 ASP H H 1 8.045 0.020 . 1 . . . . . 154 ASP H . 27719 1 296 . 1 . 1 156 156 ASP N N 15 116.387 0.3 . 1 . . . . . 154 ASP N . 27719 1 297 . 1 . 1 157 157 ALA H H 1 8.629 0.020 . 1 . . . . . 155 ALA H . 27719 1 298 . 1 . 1 157 157 ALA N N 15 124.885 0.3 . 1 . . . . . 155 ALA N . 27719 1 299 . 1 . 1 158 158 PHE H H 1 7.235 0.020 . 1 . . . . . 156 PHE H . 27719 1 300 . 1 . 1 158 158 PHE N N 15 112.976 0.3 . 1 . . . . . 156 PHE N . 27719 1 301 . 1 . 1 159 159 TYR H H 1 9.612 0.020 . 1 . . . . . 157 TYR H . 27719 1 302 . 1 . 1 159 159 TYR N N 15 119.637 0.3 . 1 . . . . . 157 TYR N . 27719 1 303 . 1 . 1 160 160 THR H H 1 8.610 0.020 . 1 . . . . . 158 THR H . 27719 1 304 . 1 . 1 160 160 THR N N 15 116.520 0.3 . 1 . . . . . 158 THR N . 27719 1 305 . 1 . 1 161 161 LEU H H 1 7.292 0.020 . 1 . . . . . 159 LEU H . 27719 1 306 . 1 . 1 161 161 LEU N N 15 121.912 0.3 . 1 . . . . . 159 LEU N . 27719 1 307 . 1 . 1 162 162 VAL H H 1 7.708 0.020 . 1 . . . . . 160 VAL H . 27719 1 308 . 1 . 1 162 162 VAL N N 15 119.423 0.3 . 1 . . . . . 160 VAL N . 27719 1 309 . 1 . 1 163 163 ARG H H 1 8.199 0.020 . 1 . . . . . 161 ARG H . 27719 1 310 . 1 . 1 163 163 ARG N N 15 119.055 0.3 . 1 . . . . . 161 ARG N . 27719 1 311 . 1 . 1 164 164 GLU H H 1 8.328 0.020 . 1 . . . . . 162 GLU H . 27719 1 312 . 1 . 1 164 164 GLU N N 15 119.689 0.3 . 1 . . . . . 162 GLU N . 27719 1 313 . 1 . 1 165 165 ILE H H 1 8.351 0.020 . 1 . . . . . 163 ILE H . 27719 1 314 . 1 . 1 165 165 ILE N N 15 123.002 0.3 . 1 . . . . . 163 ILE N . 27719 1 315 . 1 . 1 166 166 ARG H H 1 8.590 0.020 . 1 . . . . . 164 ARG H . 27719 1 316 . 1 . 1 166 166 ARG N N 15 119.187 0.3 . 1 . . . . . 164 ARG N . 27719 1 317 . 1 . 1 167 167 LYS H H 1 7.778 0.020 . 1 . . . . . 165 LYS H . 27719 1 318 . 1 . 1 167 167 LYS N N 15 117.418 0.3 . 1 . . . . . 165 LYS N . 27719 1 319 . 1 . 1 168 168 HIS H H 1 7.836 0.020 . 1 . . . . . 166 HIS H . 27719 1 320 . 1 . 1 168 168 HIS N N 15 118.766 0.3 . 1 . . . . . 166 HIS N . 27719 1 321 . 1 . 1 169 169 LYS H H 1 8.058 0.020 . 1 . . . . . 167 LYS H . 27719 1 322 . 1 . 1 169 169 LYS N N 15 118.493 0.3 . 1 . . . . . 167 LYS N . 27719 1 323 . 1 . 1 170 170 GLU H H 1 7.796 0.020 . 1 . . . . . 168 GLU H . 27719 1 324 . 1 . 1 170 170 GLU N N 15 119.408 0.3 . 1 . . . . . 168 GLU N . 27719 1 325 . 1 . 1 171 171 LYS H H 1 7.570 0.020 . 1 . . . . . 169 LYS H . 27719 1 326 . 1 . 1 171 171 LYS N N 15 126.545 0.3 . 1 . . . . . 169 LYS N . 27719 1 stop_ save_