################################### # 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 27720 _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' . . . 27720 1 2 '3D 1H-15N NOESY' . . . 27720 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 3 3 MET H H 1 8.195 0.020 . 1 . . . . . 1 MET H . 27720 1 2 . 1 . 1 3 3 MET N N 15 122.731 0.3 . 1 . . . . . 1 MET N . 27720 1 3 . 1 . 1 4 4 THR H H 1 8.580 0.020 . 1 . . . . . 2 THR H . 27720 1 4 . 1 . 1 4 4 THR N N 15 122.812 0.3 . 1 . . . . . 2 THR N . 27720 1 5 . 1 . 1 5 5 GLU H H 1 8.338 0.020 . 1 . . . . . 3 GLU H . 27720 1 6 . 1 . 1 5 5 GLU N N 15 126.836 0.3 . 1 . . . . . 3 GLU N . 27720 1 7 . 1 . 1 6 6 TYR H H 1 8.751 0.020 . 1 . . . . . 4 TYR H . 27720 1 8 . 1 . 1 6 6 TYR N N 15 121.736 0.3 . 1 . . . . . 4 TYR N . 27720 1 9 . 1 . 1 7 7 LYS H H 1 9.167 0.020 . 1 . . . . . 5 LYS H . 27720 1 10 . 1 . 1 7 7 LYS N N 15 124.667 0.3 . 1 . . . . . 5 LYS N . 27720 1 11 . 1 . 1 8 8 LEU H H 1 9.559 0.020 . 1 . . . . . 6 LEU H . 27720 1 12 . 1 . 1 8 8 LEU N N 15 126.852 0.3 . 1 . . . . . 6 LEU N . 27720 1 13 . 1 . 1 9 9 VAL H H 1 7.901 0.020 . 1 . . . . . 7 VAL H . 27720 1 14 . 1 . 1 9 9 VAL N N 15 120.381 0.3 . 1 . . . . . 7 VAL N . 27720 1 15 . 1 . 1 10 10 VAL H H 1 8.983 0.020 . 1 . . . . . 8 VAL H . 27720 1 16 . 1 . 1 10 10 VAL N N 15 129.084 0.3 . 1 . . . . . 8 VAL N . 27720 1 17 . 1 . 1 11 11 VAL H H 1 9.190 0.020 . 1 . . . . . 9 VAL H . 27720 1 18 . 1 . 1 11 11 VAL N N 15 120.668 0.3 . 1 . . . . . 9 VAL N . 27720 1 19 . 1 . 1 12 12 GLY H H 1 7.139 0.020 . 1 . . . . . 10 GLY H . 27720 1 20 . 1 . 1 12 12 GLY N N 15 107.546 0.3 . 1 . . . . . 10 GLY N . 27720 1 21 . 1 . 1 13 13 ALA H H 1 9.212 0.020 . 1 . . . . . 11 ALA H . 27720 1 22 . 1 . 1 13 13 ALA N N 15 123.798 0.3 . 1 . . . . . 11 ALA N . 27720 1 23 . 1 . 1 14 14 GLY H H 1 8.644 0.020 . 1 . . . . . 12 GLY H . 27720 1 24 . 1 . 1 14 14 GLY N N 15 106.445 0.3 . 1 . . . . . 12 GLY N . 27720 1 25 . 1 . 1 15 15 GLY H H 1 10.564 0.020 . 1 . . . . . 13 GLY H . 27720 1 26 . 1 . 1 15 15 GLY N N 15 115.220 0.3 . 1 . . . . . 13 GLY N . 27720 1 27 . 1 . 1 16 16 VAL H H 1 7.683 0.020 . 1 . . . . . 14 VAL H . 27720 1 28 . 1 . 1 16 16 VAL N N 15 113.387 0.3 . 1 . . . . . 14 VAL N . 27720 1 29 . 1 . 1 17 17 GLY H H 1 8.610 0.020 . 1 . . . . . 15 GLY H . 27720 1 30 . 1 . 1 17 17 GLY N N 15 109.637 0.3 . 1 . . . . . 15 GLY N . 27720 1 31 . 1 . 1 18 18 LYS H H 1 10.604 0.020 . 1 . . . . . 16 LYS H . 27720 1 32 . 1 . 1 18 18 LYS N N 15 125.525 0.3 . 1 . . . . . 16 LYS N . 27720 1 33 . 1 . 1 19 19 SER H H 1 9.350 0.020 . 1 . . . . . 17 SER H . 27720 1 34 . 1 . 1 19 19 SER N N 15 120.499 0.3 . 1 . . . . . 17 SER N . 27720 1 35 . 1 . 1 20 20 ALA H H 1 9.519 0.020 . 1 . . . . . 18 ALA H . 27720 1 36 . 1 . 1 20 20 ALA N N 15 125.463 0.3 . 1 . . . . . 18 ALA N . 27720 1 37 . 1 . 1 21 21 LEU H H 1 9.053 0.020 . 1 . . . . . 19 LEU H . 27720 1 38 . 1 . 1 21 21 LEU N N 15 120.454 0.3 . 1 . . . . . 19 LEU N . 27720 1 39 . 1 . 1 22 22 THR H H 1 7.709 0.020 . 1 . . . . . 20 THR H . 27720 1 40 . 1 . 1 22 22 THR N N 15 116.961 0.3 . 1 . . . . . 20 THR N . 27720 1 41 . 1 . 1 23 23 ILE H H 1 8.912 0.020 . 1 . . . . . 21 ILE H . 27720 1 42 . 1 . 1 23 23 ILE N N 15 120.798 0.3 . 1 . . . . . 21 ILE N . 27720 1 43 . 1 . 1 24 24 GLN H H 1 7.882 0.020 . 1 . . . . . 22 GLN H . 27720 1 44 . 1 . 1 24 24 GLN N N 15 120.984 0.3 . 1 . . . . . 22 GLN N . 27720 1 45 . 1 . 1 25 25 LEU H H 1 7.669 0.020 . 1 . . . . . 23 LEU H . 27720 1 46 . 1 . 1 25 25 LEU N N 15 120.740 0.3 . 1 . . . . . 23 LEU N . 27720 1 47 . 1 . 1 26 26 ILE H H 1 8.059 0.020 . 1 . . . . . 24 ILE H . 27720 1 48 . 1 . 1 26 26 ILE N N 15 114.177 0.3 . 1 . . . . . 24 ILE N . 27720 1 49 . 1 . 1 27 27 GLN H H 1 9.024 0.020 . 1 . . . . . 25 GLN H . 27720 1 50 . 1 . 1 27 27 GLN N N 15 116.272 0.3 . 1 . . . . . 25 GLN N . 27720 1 51 . 1 . 1 28 28 ASN H H 1 7.990 0.020 . 1 . . . . . 26 ASN H . 27720 1 52 . 1 . 1 28 28 ASN N N 15 116.092 0.3 . 1 . . . . . 26 ASN N . 27720 1 53 . 1 . 1 29 29 HIS H H 1 6.786 0.020 . 1 . . . . . 27 HIS H . 27720 1 54 . 1 . 1 29 29 HIS N N 15 111.558 0.3 . 1 . . . . . 27 HIS N . 27720 1 55 . 1 . 1 30 30 PHE H H 1 8.460 0.020 . 1 . . . . . 28 PHE H . 27720 1 56 . 1 . 1 30 30 PHE N N 15 121.943 0.3 . 1 . . . . . 28 PHE N . 27720 1 57 . 1 . 1 31 31 VAL H H 1 7.743 0.020 . 1 . . . . . 29 VAL H . 27720 1 58 . 1 . 1 31 31 VAL N N 15 125.944 0.3 . 1 . . . . . 29 VAL N . 27720 1 59 . 1 . 1 32 32 ASP H H 1 7.812 0.020 . 1 . . . . . 30 ASP H . 27720 1 60 . 1 . 1 32 32 ASP N N 15 122.269 0.3 . 1 . . . . . 30 ASP N . 27720 1 61 . 1 . 1 33 33 GLU H H 1 7.674 0.020 . 1 . . . . . 31 GLU H . 27720 1 62 . 1 . 1 33 33 GLU N N 15 119.559 0.3 . 1 . . . . . 31 GLU N . 27720 1 63 . 1 . 1 34 34 TYR H H 1 8.810 0.020 . 1 . . . . . 32 TYR H . 27720 1 64 . 1 . 1 34 34 TYR N N 15 125.706 0.3 . 1 . . . . . 32 TYR N . 27720 1 65 . 1 . 1 35 35 ASP H H 1 7.897 0.020 . 1 . . . . . 33 ASP H . 27720 1 66 . 1 . 1 35 35 ASP N N 15 128.905 0.3 . 1 . . . . . 33 ASP N . 27720 1 67 . 1 . 1 37 37 THR H H 1 9.008 0.020 . 1 . . . . . 35 THR H . 27720 1 68 . 1 . 1 37 37 THR N N 15 109.976 0.3 . 1 . . . . . 35 THR N . 27720 1 69 . 1 . 1 38 38 ILE H H 1 6.847 0.020 . 1 . . . . . 36 ILE H . 27720 1 70 . 1 . 1 38 38 ILE N N 15 120.996 0.3 . 1 . . . . . 36 ILE N . 27720 1 71 . 1 . 1 39 39 GLU H H 1 8.431 0.020 . 1 . . . . . 37 GLU H . 27720 1 72 . 1 . 1 39 39 GLU N N 15 132.135 0.3 . 1 . . . . . 37 GLU N . 27720 1 73 . 1 . 1 40 40 ASP H H 1 8.172 0.020 . 1 . . . . . 38 ASP H . 27720 1 74 . 1 . 1 40 40 ASP N N 15 124.545 0.3 . 1 . . . . . 38 ASP N . 27720 1 75 . 1 . 1 41 41 SER H H 1 8.426 0.020 . 1 . . . . . 39 SER H . 27720 1 76 . 1 . 1 41 41 SER N N 15 114.082 0.3 . 1 . . . . . 39 SER N . 27720 1 77 . 1 . 1 42 42 TYR H H 1 9.144 0.020 . 1 . . . . . 40 TYR H . 27720 1 78 . 1 . 1 42 42 TYR N N 15 121.423 0.3 . 1 . . . . . 40 TYR N . 27720 1 79 . 1 . 1 43 43 ARG H H 1 8.411 0.020 . 1 . . . . . 41 ARG H . 27720 1 80 . 1 . 1 43 43 ARG N N 15 120.240 0.3 . 1 . . . . . 41 ARG N . 27720 1 81 . 1 . 1 44 44 LYS H H 1 8.640 0.020 . 1 . . . . . 42 LYS H . 27720 1 82 . 1 . 1 44 44 LYS N N 15 121.966 0.3 . 1 . . . . . 42 LYS N . 27720 1 83 . 1 . 1 45 45 GLN H H 1 8.843 0.020 . 1 . . . . . 43 GLN H . 27720 1 84 . 1 . 1 45 45 GLN N N 15 128.979 0.3 . 1 . . . . . 43 GLN N . 27720 1 85 . 1 . 1 46 46 VAL H H 1 9.097 0.020 . 1 . . . . . 44 VAL H . 27720 1 86 . 1 . 1 46 46 VAL N N 15 121.774 0.3 . 1 . . . . . 44 VAL N . 27720 1 87 . 1 . 1 47 47 VAL H H 1 8.129 0.020 . 1 . . . . . 45 VAL H . 27720 1 88 . 1 . 1 47 47 VAL N N 15 122.186 0.3 . 1 . . . . . 45 VAL N . 27720 1 89 . 1 . 1 48 48 ILE H H 1 8.315 0.020 . 1 . . . . . 46 ILE H . 27720 1 90 . 1 . 1 48 48 ILE N N 15 125.871 0.3 . 1 . . . . . 46 ILE N . 27720 1 91 . 1 . 1 49 49 ASP H H 1 9.531 0.020 . 1 . . . . . 47 ASP H . 27720 1 92 . 1 . 1 49 49 ASP N N 15 130.366 0.3 . 1 . . . . . 47 ASP N . 27720 1 93 . 1 . 1 50 50 GLY H H 1 8.295 0.020 . 1 . . . . . 48 GLY H . 27720 1 94 . 1 . 1 50 50 GLY N N 15 103.381 0.3 . 1 . . . . . 48 GLY N . 27720 1 95 . 1 . 1 51 51 GLU H H 1 7.704 0.020 . 1 . . . . . 49 GLU H . 27720 1 96 . 1 . 1 51 51 GLU N N 15 122.618 0.3 . 1 . . . . . 49 GLU N . 27720 1 97 . 1 . 1 52 52 THR H H 1 9.035 0.020 . 1 . . . . . 50 THR H . 27720 1 98 . 1 . 1 52 52 THR N N 15 125.816 0.3 . 1 . . . . . 50 THR N . 27720 1 99 . 1 . 1 53 53 CYS H H 1 9.386 0.020 . 1 . . . . . 51 CYS H . 27720 1 100 . 1 . 1 53 53 CYS N N 15 124.995 0.3 . 1 . . . . . 51 CYS N . 27720 1 101 . 1 . 1 54 54 LEU H H 1 8.813 0.020 . 1 . . . . . 52 LEU H . 27720 1 102 . 1 . 1 54 54 LEU N N 15 122.833 0.3 . 1 . . . . . 52 LEU N . 27720 1 103 . 1 . 1 55 55 LEU H H 1 9.083 0.020 . 1 . . . . . 53 LEU H . 27720 1 104 . 1 . 1 55 55 LEU N N 15 123.922 0.3 . 1 . . . . . 53 LEU N . 27720 1 105 . 1 . 1 56 56 ASP H H 1 8.709 0.020 . 1 . . . . . 54 ASP H . 27720 1 106 . 1 . 1 56 56 ASP N N 15 125.708 0.3 . 1 . . . . . 54 ASP N . 27720 1 107 . 1 . 1 57 57 ILE H H 1 9.212 0.020 . 1 . . . . . 55 ILE H . 27720 1 108 . 1 . 1 57 57 ILE N N 15 123.819 0.3 . 1 . . . . . 55 ILE N . 27720 1 109 . 1 . 1 58 58 LEU H H 1 8.703 0.020 . 1 . . . . . 56 LEU H . 27720 1 110 . 1 . 1 58 58 LEU N N 15 127.593 0.3 . 1 . . . . . 56 LEU N . 27720 1 111 . 1 . 1 59 59 ASP H H 1 8.490 0.020 . 1 . . . . . 57 ASP H . 27720 1 112 . 1 . 1 59 59 ASP N N 15 129.268 0.3 . 1 . . . . . 57 ASP N . 27720 1 113 . 1 . 1 60 60 THR H H 1 6.788 0.020 . 1 . . . . . 58 THR H . 27720 1 114 . 1 . 1 60 60 THR N N 15 110.219 0.3 . 1 . . . . . 58 THR N . 27720 1 115 . 1 . 1 61 61 ALA H H 1 9.115 0.020 . 1 . . . . . 59 ALA H . 27720 1 116 . 1 . 1 61 61 ALA N N 15 121.360 0.3 . 1 . . . . . 59 ALA N . 27720 1 117 . 1 . 1 62 62 GLY H H 1 8.299 0.020 . 1 . . . . . 60 GLY H . 27720 1 118 . 1 . 1 62 62 GLY N N 15 108.101 0.3 . 1 . . . . . 60 GLY N . 27720 1 119 . 1 . 1 63 63 GLN H H 1 8.604 0.020 . 1 . . . . . 61 GLN H . 27720 1 120 . 1 . 1 63 63 GLN N N 15 119.212 0.3 . 1 . . . . . 61 GLN N . 27720 1 121 . 1 . 1 64 64 GLU H H 1 8.763 0.020 . 1 . . . . . 62 GLU H . 27720 1 122 . 1 . 1 64 64 GLU N N 15 120.668 0.3 . 1 . . . . . 62 GLU N . 27720 1 123 . 1 . 1 65 65 GLU H H 1 8.315 0.020 . 1 . . . . . 63 GLU H . 27720 1 124 . 1 . 1 65 65 GLU N N 15 120.167 0.3 . 1 . . . . . 63 GLU N . 27720 1 125 . 1 . 1 66 66 TYR H H 1 8.302 0.020 . 1 . . . . . 64 TYR H . 27720 1 126 . 1 . 1 66 66 TYR N N 15 121.267 0.3 . 1 . . . . . 64 TYR N . 27720 1 127 . 1 . 1 67 67 SER H H 1 7.915 0.020 . 1 . . . . . 65 SER H . 27720 1 128 . 1 . 1 67 67 SER N N 15 119.937 0.3 . 1 . . . . . 65 SER N . 27720 1 129 . 1 . 1 68 68 ALA H H 1 8.805 0.020 . 1 . . . . . 66 ALA H . 27720 1 130 . 1 . 1 68 68 ALA N N 15 129.018 0.3 . 1 . . . . . 66 ALA N . 27720 1 131 . 1 . 1 69 69 MET H H 1 8.258 0.020 . 1 . . . . . 67 MET H . 27720 1 132 . 1 . 1 69 69 MET N N 15 117.822 0.3 . 1 . . . . . 67 MET N . 27720 1 133 . 1 . 1 70 70 ARG H H 1 7.885 0.020 . 1 . . . . . 68 ARG H . 27720 1 134 . 1 . 1 70 70 ARG N N 15 120.992 0.3 . 1 . . . . . 68 ARG N . 27720 1 135 . 1 . 1 71 71 ASP H H 1 8.137 0.020 . 1 . . . . . 69 ASP H . 27720 1 136 . 1 . 1 71 71 ASP N N 15 118.619 0.3 . 1 . . . . . 69 ASP N . 27720 1 137 . 1 . 1 72 72 GLN H H 1 7.854 0.020 . 1 . . . . . 70 GLN H . 27720 1 138 . 1 . 1 72 72 GLN N N 15 117.566 0.3 . 1 . . . . . 70 GLN N . 27720 1 139 . 1 . 1 73 73 TYR H H 1 8.259 0.020 . 1 . . . . . 71 TYR H . 27720 1 140 . 1 . 1 73 73 TYR N N 15 119.952 0.3 . 1 . . . . . 71 TYR N . 27720 1 141 . 1 . 1 74 74 MET H H 1 8.548 0.020 . 1 . . . . . 72 MET H . 27720 1 142 . 1 . 1 74 74 MET N N 15 118.803 0.3 . 1 . . . . . 72 MET N . 27720 1 143 . 1 . 1 75 75 ARG H H 1 7.977 0.020 . 1 . . . . . 73 ARG H . 27720 1 144 . 1 . 1 75 75 ARG N N 15 115.666 0.3 . 1 . . . . . 73 ARG N . 27720 1 145 . 1 . 1 76 76 THR H H 1 7.936 0.020 . 1 . . . . . 74 THR H . 27720 1 146 . 1 . 1 76 76 THR N N 15 108.005 0.3 . 1 . . . . . 74 THR N . 27720 1 147 . 1 . 1 77 77 GLY H H 1 8.004 0.020 . 1 . . . . . 75 GLY H . 27720 1 148 . 1 . 1 77 77 GLY N N 15 111.263 0.3 . 1 . . . . . 75 GLY N . 27720 1 149 . 1 . 1 78 78 GLU H H 1 8.920 0.020 . 1 . . . . . 76 GLU H . 27720 1 150 . 1 . 1 78 78 GLU N N 15 122.011 0.3 . 1 . . . . . 76 GLU N . 27720 1 151 . 1 . 1 79 79 GLY H H 1 7.193 0.020 . 1 . . . . . 77 GLY H . 27720 1 152 . 1 . 1 79 79 GLY N N 15 100.907 0.3 . 1 . . . . . 77 GLY N . 27720 1 153 . 1 . 1 80 80 PHE H H 1 8.178 0.020 . 1 . . . . . 78 PHE H . 27720 1 154 . 1 . 1 80 80 PHE N N 15 121.334 0.3 . 1 . . . . . 78 PHE N . 27720 1 155 . 1 . 1 81 81 LEU H H 1 9.235 0.020 . 1 . . . . . 79 LEU H . 27720 1 156 . 1 . 1 81 81 LEU N N 15 126.794 0.3 . 1 . . . . . 79 LEU N . 27720 1 157 . 1 . 1 82 82 CYS H H 1 8.744 0.020 . 1 . . . . . 80 CYS H . 27720 1 158 . 1 . 1 82 82 CYS N N 15 124.705 0.3 . 1 . . . . . 80 CYS N . 27720 1 159 . 1 . 1 83 83 VAL H H 1 8.982 0.020 . 1 . . . . . 81 VAL H . 27720 1 160 . 1 . 1 83 83 VAL N N 15 126.191 0.3 . 1 . . . . . 81 VAL N . 27720 1 161 . 1 . 1 84 84 PHE H H 1 9.313 0.020 . 1 . . . . . 82 PHE H . 27720 1 162 . 1 . 1 84 84 PHE N N 15 123.686 0.3 . 1 . . . . . 82 PHE N . 27720 1 163 . 1 . 1 85 85 ALA H H 1 8.789 0.020 . 1 . . . . . 83 ALA H . 27720 1 164 . 1 . 1 85 85 ALA N N 15 121.535 0.3 . 1 . . . . . 83 ALA N . 27720 1 165 . 1 . 1 86 86 ILE H H 1 8.507 0.020 . 1 . . . . . 84 ILE H . 27720 1 166 . 1 . 1 86 86 ILE N N 15 113.597 0.3 . 1 . . . . . 84 ILE N . 27720 1 167 . 1 . 1 87 87 ASN H H 1 7.914 0.020 . 1 . . . . . 85 ASN H . 27720 1 168 . 1 . 1 87 87 ASN N N 15 117.024 0.3 . 1 . . . . . 85 ASN N . 27720 1 169 . 1 . 1 88 88 ASN H H 1 7.902 0.020 . 1 . . . . . 86 ASN H . 27720 1 170 . 1 . 1 88 88 ASN N N 15 119.308 0.3 . 1 . . . . . 86 ASN N . 27720 1 171 . 1 . 1 90 90 LYS H H 1 8.453 0.020 . 1 . . . . . 88 LYS H . 27720 1 172 . 1 . 1 90 90 LYS N N 15 124.196 0.3 . 1 . . . . . 88 LYS N . 27720 1 173 . 1 . 1 91 91 SER H H 1 8.092 0.020 . 1 . . . . . 89 SER H . 27720 1 174 . 1 . 1 91 91 SER N N 15 114.366 0.3 . 1 . . . . . 89 SER N . 27720 1 175 . 1 . 1 92 92 PHE H H 1 7.443 0.020 . 1 . . . . . 90 PHE H . 27720 1 176 . 1 . 1 92 92 PHE N N 15 124.691 0.3 . 1 . . . . . 90 PHE N . 27720 1 177 . 1 . 1 93 93 GLU H H 1 8.461 0.020 . 1 . . . . . 91 GLU H . 27720 1 178 . 1 . 1 93 93 GLU N N 15 121.936 0.3 . 1 . . . . . 91 GLU N . 27720 1 179 . 1 . 1 94 94 ASP H H 1 8.508 0.020 . 1 . . . . . 92 ASP H . 27720 1 180 . 1 . 1 94 94 ASP N N 15 117.052 0.3 . 1 . . . . . 92 ASP N . 27720 1 181 . 1 . 1 95 95 ILE H H 1 7.625 0.020 . 1 . . . . . 93 ILE H . 27720 1 182 . 1 . 1 95 95 ILE N N 15 120.586 0.3 . 1 . . . . . 93 ILE N . 27720 1 183 . 1 . 1 96 96 HIS H H 1 7.667 0.020 . 1 . . . . . 94 HIS H . 27720 1 184 . 1 . 1 96 96 HIS N N 15 117.039 0.3 . 1 . . . . . 94 HIS N . 27720 1 185 . 1 . 1 97 97 HIS H H 1 7.225 0.020 . 1 . . . . . 95 HIS H . 27720 1 186 . 1 . 1 97 97 HIS N N 15 117.286 0.3 . 1 . . . . . 95 HIS N . 27720 1 187 . 1 . 1 98 98 TYR H H 1 7.683 0.020 . 1 . . . . . 96 TYR H . 27720 1 188 . 1 . 1 98 98 TYR N N 15 118.816 0.3 . 1 . . . . . 96 TYR N . 27720 1 189 . 1 . 1 99 99 ARG H H 1 8.538 0.020 . 1 . . . . . 97 ARG H . 27720 1 190 . 1 . 1 99 99 ARG N N 15 118.916 0.3 . 1 . . . . . 97 ARG N . 27720 1 191 . 1 . 1 100 100 GLU H H 1 7.975 0.020 . 1 . . . . . 98 GLU H . 27720 1 192 . 1 . 1 100 100 GLU N N 15 117.678 0.3 . 1 . . . . . 98 GLU N . 27720 1 193 . 1 . 1 101 101 GLN H H 1 7.812 0.020 . 1 . . . . . 99 GLN H . 27720 1 194 . 1 . 1 101 101 GLN N N 15 119.426 0.3 . 1 . . . . . 99 GLN N . 27720 1 195 . 1 . 1 102 102 ILE H H 1 7.786 0.020 . 1 . . . . . 100 ILE H . 27720 1 196 . 1 . 1 102 102 ILE N N 15 120.053 0.3 . 1 . . . . . 100 ILE N . 27720 1 197 . 1 . 1 103 103 LYS H H 1 7.856 0.020 . 1 . . . . . 101 LYS H . 27720 1 198 . 1 . 1 103 103 LYS N N 15 117.569 0.3 . 1 . . . . . 101 LYS N . 27720 1 199 . 1 . 1 104 104 ARG H H 1 7.764 0.020 . 1 . . . . . 102 ARG H . 27720 1 200 . 1 . 1 104 104 ARG N N 15 117.668 0.3 . 1 . . . . . 102 ARG N . 27720 1 201 . 1 . 1 105 105 VAL H H 1 8.054 0.020 . 1 . . . . . 103 VAL H . 27720 1 202 . 1 . 1 105 105 VAL N N 15 118.516 0.3 . 1 . . . . . 103 VAL N . 27720 1 203 . 1 . 1 106 106 LYS H H 1 8.015 0.020 . 1 . . . . . 104 LYS H . 27720 1 204 . 1 . 1 106 106 LYS N N 15 116.732 0.3 . 1 . . . . . 104 LYS N . 27720 1 205 . 1 . 1 107 107 ASP H H 1 7.991 0.020 . 1 . . . . . 105 ASP H . 27720 1 206 . 1 . 1 107 107 ASP N N 15 120.852 0.3 . 1 . . . . . 105 ASP N . 27720 1 207 . 1 . 1 108 108 SER H H 1 7.571 0.020 . 1 . . . . . 106 SER H . 27720 1 208 . 1 . 1 108 108 SER N N 15 109.200 0.3 . 1 . . . . . 106 SER N . 27720 1 209 . 1 . 1 109 109 GLU H H 1 8.404 0.020 . 1 . . . . . 107 GLU H . 27720 1 210 . 1 . 1 109 109 GLU N N 15 121.089 0.3 . 1 . . . . . 107 GLU N . 27720 1 211 . 1 . 1 110 110 ASP H H 1 8.406 0.020 . 1 . . . . . 108 ASP H . 27720 1 212 . 1 . 1 110 110 ASP N N 15 121.096 0.3 . 1 . . . . . 108 ASP N . 27720 1 213 . 1 . 1 111 111 VAL H H 1 7.590 0.020 . 1 . . . . . 109 VAL H . 27720 1 214 . 1 . 1 111 111 VAL N N 15 121.842 0.3 . 1 . . . . . 109 VAL N . 27720 1 215 . 1 . 1 113 113 MET H H 1 8.203 0.020 . 1 . . . . . 111 MET H . 27720 1 216 . 1 . 1 113 113 MET N N 15 122.890 0.3 . 1 . . . . . 111 MET N . 27720 1 217 . 1 . 1 114 114 VAL H H 1 8.040 0.020 . 1 . . . . . 112 VAL H . 27720 1 218 . 1 . 1 114 114 VAL N N 15 117.992 0.3 . 1 . . . . . 112 VAL N . 27720 1 219 . 1 . 1 115 115 LEU H H 1 8.957 0.020 . 1 . . . . . 113 LEU H . 27720 1 220 . 1 . 1 115 115 LEU N N 15 128.853 0.3 . 1 . . . . . 113 LEU N . 27720 1 221 . 1 . 1 116 116 VAL H H 1 9.226 0.020 . 1 . . . . . 114 VAL H . 27720 1 222 . 1 . 1 116 116 VAL N N 15 128.221 0.3 . 1 . . . . . 114 VAL N . 27720 1 223 . 1 . 1 117 117 GLY H H 1 8.228 0.020 . 1 . . . . . 115 GLY H . 27720 1 224 . 1 . 1 117 117 GLY N N 15 113.489 0.3 . 1 . . . . . 115 GLY N . 27720 1 225 . 1 . 1 118 118 ASN H H 1 8.826 0.020 . 1 . . . . . 116 ASN H . 27720 1 226 . 1 . 1 118 118 ASN N N 15 121.516 0.3 . 1 . . . . . 116 ASN N . 27720 1 227 . 1 . 1 119 119 LYS H H 1 7.341 0.020 . 1 . . . . . 117 LYS H . 27720 1 228 . 1 . 1 119 119 LYS N N 15 112.260 0.3 . 1 . . . . . 117 LYS N . 27720 1 229 . 1 . 1 120 120 CYS H H 1 8.708 0.020 . 1 . . . . . 118 CYS H . 27720 1 230 . 1 . 1 120 120 CYS N N 15 114.116 0.3 . 1 . . . . . 118 CYS N . 27720 1 231 . 1 . 1 121 121 ASP H H 1 8.612 0.020 . 1 . . . . . 119 ASP H . 27720 1 232 . 1 . 1 121 121 ASP N N 15 116.935 0.3 . 1 . . . . . 119 ASP N . 27720 1 233 . 1 . 1 122 122 LEU H H 1 7.823 0.020 . 1 . . . . . 120 LEU H . 27720 1 234 . 1 . 1 122 122 LEU N N 15 121.577 0.3 . 1 . . . . . 120 LEU N . 27720 1 235 . 1 . 1 124 124 SER H H 1 7.277 0.020 . 1 . . . . . 122 SER H . 27720 1 236 . 1 . 1 124 124 SER N N 15 113.212 0.3 . 1 . . . . . 122 SER N . 27720 1 237 . 1 . 1 125 125 ARG H H 1 7.875 0.020 . 1 . . . . . 123 ARG H . 27720 1 238 . 1 . 1 125 125 ARG N N 15 120.161 0.3 . 1 . . . . . 123 ARG N . 27720 1 239 . 1 . 1 126 126 THR H H 1 9.068 0.020 . 1 . . . . . 124 THR H . 27720 1 240 . 1 . 1 126 126 THR N N 15 114.277 0.3 . 1 . . . . . 124 THR N . 27720 1 241 . 1 . 1 127 127 VAL H H 1 7.583 0.020 . 1 . . . . . 125 VAL H . 27720 1 242 . 1 . 1 127 127 VAL N N 15 124.247 0.3 . 1 . . . . . 125 VAL N . 27720 1 243 . 1 . 1 128 128 ASP H H 1 8.613 0.020 . 1 . . . . . 126 ASP H . 27720 1 244 . 1 . 1 128 128 ASP N N 15 128.470 0.3 . 1 . . . . . 126 ASP N . 27720 1 245 . 1 . 1 129 129 THR H H 1 8.744 0.020 . 1 . . . . . 127 THR H . 27720 1 246 . 1 . 1 129 129 THR N N 15 121.414 0.3 . 1 . . . . . 127 THR N . 27720 1 247 . 1 . 1 130 130 LYS H H 1 8.404 0.020 . 1 . . . . . 128 LYS H . 27720 1 248 . 1 . 1 130 130 LYS N N 15 120.344 0.3 . 1 . . . . . 128 LYS N . 27720 1 249 . 1 . 1 131 131 GLN H H 1 7.355 0.020 . 1 . . . . . 129 GLN H . 27720 1 250 . 1 . 1 131 131 GLN N N 15 117.584 0.3 . 1 . . . . . 129 GLN N . 27720 1 251 . 1 . 1 132 132 ALA H H 1 7.125 0.020 . 1 . . . . . 130 ALA H . 27720 1 252 . 1 . 1 132 132 ALA N N 15 122.434 0.3 . 1 . . . . . 130 ALA N . 27720 1 253 . 1 . 1 133 133 GLN H H 1 8.453 0.020 . 1 . . . . . 131 GLN H . 27720 1 254 . 1 . 1 133 133 GLN N N 15 117.888 0.3 . 1 . . . . . 131 GLN N . 27720 1 255 . 1 . 1 134 134 ASP H H 1 8.538 0.020 . 1 . . . . . 132 ASP H . 27720 1 256 . 1 . 1 134 134 ASP N N 15 120.472 0.3 . 1 . . . . . 132 ASP N . 27720 1 257 . 1 . 1 135 135 LEU H H 1 7.541 0.020 . 1 . . . . . 133 LEU H . 27720 1 258 . 1 . 1 135 135 LEU N N 15 123.556 0.3 . 1 . . . . . 133 LEU N . 27720 1 259 . 1 . 1 136 136 ALA H H 1 8.272 0.020 . 1 . . . . . 134 ALA H . 27720 1 260 . 1 . 1 136 136 ALA N N 15 121.600 0.3 . 1 . . . . . 134 ALA N . 27720 1 261 . 1 . 1 137 137 ARG H H 1 8.490 0.020 . 1 . . . . . 135 ARG H . 27720 1 262 . 1 . 1 137 137 ARG N N 15 118.279 0.3 . 1 . . . . . 135 ARG N . 27720 1 263 . 1 . 1 138 138 SER H H 1 7.950 0.020 . 1 . . . . . 136 SER H . 27720 1 264 . 1 . 1 138 138 SER N N 15 117.767 0.3 . 1 . . . . . 136 SER N . 27720 1 265 . 1 . 1 139 139 TYR H H 1 7.608 0.020 . 1 . . . . . 137 TYR H . 27720 1 266 . 1 . 1 139 139 TYR N N 15 119.806 0.3 . 1 . . . . . 137 TYR N . 27720 1 267 . 1 . 1 140 140 GLY H H 1 8.308 0.020 . 1 . . . . . 138 GLY H . 27720 1 268 . 1 . 1 140 140 GLY N N 15 110.939 0.3 . 1 . . . . . 138 GLY N . 27720 1 269 . 1 . 1 141 141 ILE H H 1 8.055 0.020 . 1 . . . . . 139 ILE H . 27720 1 270 . 1 . 1 141 141 ILE N N 15 112.942 0.3 . 1 . . . . . 139 ILE N . 27720 1 271 . 1 . 1 143 143 PHE H H 1 8.324 0.020 . 1 . . . . . 141 PHE H . 27720 1 272 . 1 . 1 143 143 PHE N N 15 120.191 0.3 . 1 . . . . . 141 PHE N . 27720 1 273 . 1 . 1 144 144 ILE H H 1 8.412 0.020 . 1 . . . . . 142 ILE H . 27720 1 274 . 1 . 1 144 144 ILE N N 15 129.986 0.3 . 1 . . . . . 142 ILE N . 27720 1 275 . 1 . 1 145 145 GLU H H 1 7.802 0.020 . 1 . . . . . 143 GLU H . 27720 1 276 . 1 . 1 145 145 GLU N N 15 125.165 0.3 . 1 . . . . . 143 GLU N . 27720 1 277 . 1 . 1 146 146 THR H H 1 8.792 0.020 . 1 . . . . . 144 THR H . 27720 1 278 . 1 . 1 146 146 THR N N 15 112.193 0.3 . 1 . . . . . 144 THR N . 27720 1 279 . 1 . 1 147 147 SER H H 1 8.795 0.020 . 1 . . . . . 145 SER H . 27720 1 280 . 1 . 1 147 147 SER N N 15 112.487 0.3 . 1 . . . . . 145 SER N . 27720 1 281 . 1 . 1 148 148 ALA H H 1 9.163 0.020 . 1 . . . . . 146 ALA H . 27720 1 282 . 1 . 1 148 148 ALA N N 15 132.505 0.3 . 1 . . . . . 146 ALA N . 27720 1 283 . 1 . 1 149 149 LYS H H 1 7.010 0.020 . 1 . . . . . 147 LYS H . 27720 1 284 . 1 . 1 149 149 LYS N N 15 116.180 0.3 . 1 . . . . . 147 LYS N . 27720 1 285 . 1 . 1 150 150 THR H H 1 7.699 0.020 . 1 . . . . . 148 THR H . 27720 1 286 . 1 . 1 150 150 THR N N 15 106.450 0.3 . 1 . . . . . 148 THR N . 27720 1 287 . 1 . 1 151 151 ARG H H 1 7.812 0.020 . 1 . . . . . 149 ARG H . 27720 1 288 . 1 . 1 151 151 ARG N N 15 119.497 0.3 . 1 . . . . . 149 ARG N . 27720 1 289 . 1 . 1 152 152 GLN H H 1 7.813 0.020 . 1 . . . . . 150 GLN H . 27720 1 290 . 1 . 1 152 152 GLN N N 15 124.299 0.3 . 1 . . . . . 150 GLN N . 27720 1 291 . 1 . 1 153 153 GLY H H 1 8.932 0.020 . 1 . . . . . 151 GLY H . 27720 1 292 . 1 . 1 153 153 GLY N N 15 115.319 0.3 . 1 . . . . . 151 GLY N . 27720 1 293 . 1 . 1 154 154 VAL H H 1 7.039 0.020 . 1 . . . . . 152 VAL H . 27720 1 294 . 1 . 1 154 154 VAL N N 15 120.574 0.3 . 1 . . . . . 152 VAL N . 27720 1 295 . 1 . 1 155 155 ASP H H 1 7.949 0.020 . 1 . . . . . 153 ASP H . 27720 1 296 . 1 . 1 155 155 ASP N N 15 117.092 0.3 . 1 . . . . . 153 ASP N . 27720 1 297 . 1 . 1 156 156 ASP H H 1 8.047 0.020 . 1 . . . . . 154 ASP H . 27720 1 298 . 1 . 1 156 156 ASP N N 15 116.353 0.3 . 1 . . . . . 154 ASP N . 27720 1 299 . 1 . 1 157 157 ALA H H 1 8.631 0.020 . 1 . . . . . 155 ALA H . 27720 1 300 . 1 . 1 157 157 ALA N N 15 124.935 0.3 . 1 . . . . . 155 ALA N . 27720 1 301 . 1 . 1 158 158 PHE H H 1 7.226 0.020 . 1 . . . . . 156 PHE H . 27720 1 302 . 1 . 1 158 158 PHE N N 15 112.964 0.3 . 1 . . . . . 156 PHE N . 27720 1 303 . 1 . 1 159 159 TYR H H 1 9.599 0.020 . 1 . . . . . 157 TYR H . 27720 1 304 . 1 . 1 159 159 TYR N N 15 119.635 0.3 . 1 . . . . . 157 TYR N . 27720 1 305 . 1 . 1 160 160 THR H H 1 8.611 0.020 . 1 . . . . . 158 THR H . 27720 1 306 . 1 . 1 160 160 THR N N 15 116.527 0.3 . 1 . . . . . 158 THR N . 27720 1 307 . 1 . 1 161 161 LEU H H 1 7.287 0.020 . 1 . . . . . 159 LEU H . 27720 1 308 . 1 . 1 161 161 LEU N N 15 121.843 0.3 . 1 . . . . . 159 LEU N . 27720 1 309 . 1 . 1 162 162 VAL H H 1 7.690 0.020 . 1 . . . . . 160 VAL H . 27720 1 310 . 1 . 1 162 162 VAL N N 15 119.298 0.3 . 1 . . . . . 160 VAL N . 27720 1 311 . 1 . 1 163 163 ARG H H 1 8.191 0.020 . 1 . . . . . 161 ARG H . 27720 1 312 . 1 . 1 163 163 ARG N N 15 119.031 0.3 . 1 . . . . . 161 ARG N . 27720 1 313 . 1 . 1 164 164 GLU H H 1 8.318 0.020 . 1 . . . . . 162 GLU H . 27720 1 314 . 1 . 1 164 164 GLU N N 15 119.642 0.3 . 1 . . . . . 162 GLU N . 27720 1 315 . 1 . 1 165 165 ILE H H 1 8.350 0.020 . 1 . . . . . 163 ILE H . 27720 1 316 . 1 . 1 165 165 ILE N N 15 123.029 0.3 . 1 . . . . . 163 ILE N . 27720 1 317 . 1 . 1 166 166 ARG H H 1 8.591 0.020 . 1 . . . . . 164 ARG H . 27720 1 318 . 1 . 1 166 166 ARG N N 15 119.335 0.3 . 1 . . . . . 164 ARG N . 27720 1 319 . 1 . 1 167 167 LYS H H 1 7.780 0.020 . 1 . . . . . 165 LYS H . 27720 1 320 . 1 . 1 167 167 LYS N N 15 117.302 0.3 . 1 . . . . . 165 LYS N . 27720 1 321 . 1 . 1 168 168 HIS H H 1 7.828 0.020 . 1 . . . . . 166 HIS H . 27720 1 322 . 1 . 1 168 168 HIS N N 15 118.568 0.3 . 1 . . . . . 166 HIS N . 27720 1 323 . 1 . 1 169 169 LYS H H 1 8.053 0.020 . 1 . . . . . 167 LYS H . 27720 1 324 . 1 . 1 169 169 LYS N N 15 118.586 0.3 . 1 . . . . . 167 LYS N . 27720 1 325 . 1 . 1 170 170 GLU H H 1 7.819 0.020 . 1 . . . . . 168 GLU H . 27720 1 326 . 1 . 1 170 170 GLU N N 15 119.484 0.3 . 1 . . . . . 168 GLU N . 27720 1 327 . 1 . 1 171 171 LYS H H 1 7.568 0.020 . 1 . . . . . 169 LYS H . 27720 1 328 . 1 . 1 171 171 LYS N N 15 126.528 0.3 . 1 . . . . . 169 LYS N . 27720 1 stop_ save_