################################### # 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 7411 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 7411 1 2 '3D 1H-15N NOESY' . . . 7411 1 3 '3D 1H-15N TOCSY' . . . 7411 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 3 3 GLY H H 1 8.656 0.002 . 1 . . . . 3 GLY H . 7411 1 2 . 1 1 3 3 GLY N N 15 110.804 0.02 . 1 . . . . 3 GLY N . 7411 1 3 . 1 1 4 4 ASP H H 1 8.138 0.002 . 1 . . . . 4 ASP H . 7411 1 4 . 1 1 4 4 ASP N N 15 121.197 0.02 . 1 . . . . 4 ASP N . 7411 1 5 . 1 1 6 6 LYS H H 1 8.332 0.002 . 1 . . . . 6 LYS H . 7411 1 6 . 1 1 6 6 LYS N N 15 119.759 0.02 . 1 . . . . 6 LYS N . 7411 1 7 . 1 1 7 7 LYS H H 1 7.887 0.002 . 1 . . . . 7 LYS H . 7411 1 8 . 1 1 7 7 LYS N N 15 123.580 0.02 . 1 . . . . 7 LYS N . 7411 1 9 . 1 1 9 9 ARG H H 1 8.907 0.002 . 1 . . . . 9 ARG H . 7411 1 10 . 1 1 9 9 ARG N N 15 124.213 0.02 . 1 . . . . 9 ARG N . 7411 1 11 . 1 1 10 10 GLY H H 1 8.656 0.002 . 1 . . . . 10 GLY H . 7411 1 12 . 1 1 10 10 GLY N N 15 110.804 0.02 . 1 . . . . 10 GLY N . 7411 1 13 . 1 1 11 11 LYS H H 1 7.658 0.002 . 1 . . . . 11 LYS H . 7411 1 14 . 1 1 11 11 LYS N N 15 119.989 0.02 . 1 . . . . 11 LYS N . 7411 1 15 . 1 1 12 12 MET H H 1 8.995 0.002 . 1 . . . . 12 MET H . 7411 1 16 . 1 1 12 12 MET N N 15 124.543 0.02 . 1 . . . . 12 MET N . 7411 1 17 . 1 1 13 13 SER H H 1 8.258 0.002 . 1 . . . . 13 SER H . 7411 1 18 . 1 1 13 13 SER N N 15 119.144 0.02 . 1 . . . . 13 SER N . 7411 1 19 . 1 1 14 14 SER H H 1 9.317 0.002 . 1 . . . . 14 SER H . 7411 1 20 . 1 1 14 14 SER N N 15 116.134 0.02 . 1 . . . . 14 SER N . 7411 1 21 . 1 1 15 15 TYR H H 1 7.969 0.002 . 1 . . . . 15 TYR H . 7411 1 22 . 1 1 15 15 TYR N N 15 121.752 0.02 . 1 . . . . 15 TYR N . 7411 1 23 . 1 1 16 16 ALA H H 1 7.920 0.002 . 1 . . . . 16 ALA H . 7411 1 24 . 1 1 16 16 ALA N N 15 121.788 0.02 . 1 . . . . 16 ALA N . 7411 1 25 . 1 1 17 17 PHE H H 1 8.311 0.002 . 1 . . . . 17 PHE H . 7411 1 26 . 1 1 17 17 PHE N N 15 117.892 0.02 . 1 . . . . 17 PHE N . 7411 1 27 . 1 1 18 18 PHE H H 1 8.079 0.002 . 1 . . . . 18 PHE H . 7411 1 28 . 1 1 18 18 PHE N N 15 125.026 0.02 . 1 . . . . 18 PHE N . 7411 1 29 . 1 1 19 19 VAL H H 1 8.487 0.002 . 1 . . . . 19 VAL H . 7411 1 30 . 1 1 19 19 VAL N N 15 122.531 0.02 . 1 . . . . 19 VAL N . 7411 1 31 . 1 1 20 20 GLN H H 1 7.845 0.002 . 1 . . . . 20 GLN H . 7411 1 32 . 1 1 20 20 GLN HE21 H 1 6.774 0.002 . 1 . . . . 20 GLN HE21 . 7411 1 33 . 1 1 20 20 GLN HE22 H 1 7.790 0.002 . 1 . . . . 20 GLN HE22 . 7411 1 34 . 1 1 20 20 GLN N N 15 118.159 0.02 . 1 . . . . 20 GLN N . 7411 1 35 . 1 1 20 20 GLN NE2 N 15 111.432 0.02 . 1 . . . . 20 GLN NE2 . 7411 1 36 . 1 1 21 21 THR H H 1 8.151 0.002 . 1 . . . . 21 THR H . 7411 1 37 . 1 1 21 21 THR N N 15 116.401 0.02 . 1 . . . . 21 THR N . 7411 1 38 . 1 1 22 22 CYS H H 1 8.356 0.002 . 1 . . . . 22 CYS H . 7411 1 39 . 1 1 22 22 CYS N N 15 120.670 0.02 . 1 . . . . 22 CYS N . 7411 1 40 . 1 1 23 23 ARG H H 1 8.882 0.002 . 1 . . . . 23 ARG H . 7411 1 41 . 1 1 23 23 ARG N N 15 122.768 0.02 . 1 . . . . 23 ARG N . 7411 1 42 . 1 1 24 24 GLU H H 1 8.126 0.002 . 1 . . . . 24 GLU H . 7411 1 43 . 1 1 24 24 GLU N N 15 120.206 0.02 . 1 . . . . 24 GLU N . 7411 1 44 . 1 1 25 25 GLU H H 1 8.279 0.002 . 1 . . . . 25 GLU H . 7411 1 45 . 1 1 25 25 GLU N N 15 119.476 0.02 . 1 . . . . 25 GLU N . 7411 1 46 . 1 1 26 26 HIS H H 1 8.189 0.002 . 1 . . . . 26 HIS H . 7411 1 47 . 1 1 26 26 HIS N N 15 119.956 0.02 . 1 . . . . 26 HIS N . 7411 1 48 . 1 1 27 27 LYS H H 1 7.891 0.002 . 1 . . . . 27 LYS H . 7411 1 49 . 1 1 27 27 LYS N N 15 117.625 0.02 . 1 . . . . 27 LYS N . 7411 1 50 . 1 1 28 28 LYS H H 1 7.459 0.002 . 1 . . . . 28 LYS H . 7411 1 51 . 1 1 28 28 LYS N N 15 116.235 0.02 . 1 . . . . 28 LYS N . 7411 1 52 . 1 1 29 29 LYS H H 1 7.416 0.002 . 1 . . . . 29 LYS H . 7411 1 53 . 1 1 29 29 LYS N N 15 116.708 0.02 . 1 . . . . 29 LYS N . 7411 1 54 . 1 1 30 30 HIS H H 1 7.988 0.002 . 1 . . . . 30 HIS H . 7411 1 55 . 1 1 30 30 HIS N N 15 116.055 0.02 . 1 . . . . 30 HIS N . 7411 1 56 . 1 1 32 32 ASP H H 1 8.499 0.002 . 1 . . . . 32 ASP H . 7411 1 57 . 1 1 32 32 ASP N N 15 115.844 0.02 . 1 . . . . 32 ASP N . 7411 1 58 . 1 1 33 33 ALA H H 1 7.514 0.002 . 1 . . . . 33 ALA H . 7411 1 59 . 1 1 33 33 ALA N N 15 122.557 0.02 . 1 . . . . 33 ALA N . 7411 1 60 . 1 1 34 34 SER H H 1 8.550 0.002 . 1 . . . . 34 SER H . 7411 1 61 . 1 1 34 34 SER N N 15 117.258 0.02 . 1 . . . . 34 SER N . 7411 1 62 . 1 1 35 35 VAL H H 1 8.276 0.002 . 1 . . . . 35 VAL H . 7411 1 63 . 1 1 35 35 VAL N N 15 122.594 0.02 . 1 . . . . 35 VAL N . 7411 1 64 . 1 1 36 36 ASN H H 1 8.655 0.002 . 1 . . . . 36 ASN H . 7411 1 65 . 1 1 36 36 ASN HD21 H 1 7.035 0.002 . 1 . . . . 36 ASN HD21 . 7411 1 66 . 1 1 36 36 ASN HD22 H 1 7.711 0.002 . 1 . . . . 36 ASN HD22 . 7411 1 67 . 1 1 36 36 ASN N N 15 125.021 0.02 . 1 . . . . 36 ASN N . 7411 1 68 . 1 1 36 36 ASN ND2 N 15 112.935 0.02 . 1 . . . . 36 ASN ND2 . 7411 1 69 . 1 1 39 39 GLU H H 1 7.841 0.002 . 1 . . . . 39 GLU H . 7411 1 70 . 1 1 39 39 GLU N N 15 121.916 0.02 . 1 . . . . 39 GLU N . 7411 1 71 . 1 1 40 40 PHE H H 1 8.517 0.002 . 1 . . . . 40 PHE H . 7411 1 72 . 1 1 40 40 PHE N N 15 121.394 0.02 . 1 . . . . 40 PHE N . 7411 1 73 . 1 1 41 41 SER H H 1 8.459 0.002 . 1 . . . . 41 SER H . 7411 1 74 . 1 1 41 41 SER N N 15 114.722 0.02 . 1 . . . . 41 SER N . 7411 1 75 . 1 1 42 42 LYS H H 1 7.493 0.002 . 1 . . . . 42 LYS H . 7411 1 76 . 1 1 42 42 LYS N N 15 121.795 0.02 . 1 . . . . 42 LYS N . 7411 1 77 . 1 1 43 43 LYS H H 1 7.802 0.002 . 1 . . . . 43 LYS H . 7411 1 78 . 1 1 43 43 LYS N N 15 119.412 0.02 . 1 . . . . 43 LYS N . 7411 1 79 . 1 1 44 44 CYS H H 1 8.013 0.002 . 1 . . . . 44 CYS H . 7411 1 80 . 1 1 44 44 CYS N N 15 117.320 0.02 . 1 . . . . 44 CYS N . 7411 1 81 . 1 1 45 45 SER H H 1 8.308 0.002 . 1 . . . . 45 SER H . 7411 1 82 . 1 1 45 45 SER N N 15 116.966 0.02 . 1 . . . . 45 SER N . 7411 1 83 . 1 1 46 46 GLU H H 1 8.025 0.002 . 1 . . . . 46 GLU H . 7411 1 84 . 1 1 46 46 GLU N N 15 120.750 0.02 . 1 . . . . 46 GLU N . 7411 1 85 . 1 1 47 47 ARG H H 1 8.002 0.002 . 1 . . . . 47 ARG H . 7411 1 86 . 1 1 47 47 ARG N N 15 119.388 0.02 . 1 . . . . 47 ARG N . 7411 1 87 . 1 1 48 48 TRP H H 1 8.651 0.002 . 1 . . . . 48 TRP H . 7411 1 88 . 1 1 48 48 TRP HE1 H 1 10.156 0.002 . 1 . . . . 48 TRP HE1 . 7411 1 89 . 1 1 48 48 TRP N N 15 120.638 0.02 . 1 . . . . 48 TRP N . 7411 1 90 . 1 1 48 48 TRP NE1 N 15 127.926 0.02 . 1 . . . . 48 TRP NE1 . 7411 1 91 . 1 1 49 49 LYS H H 1 7.589 0.002 . 1 . . . . 49 LYS H . 7411 1 92 . 1 1 49 49 LYS N N 15 114.484 0.02 . 1 . . . . 49 LYS N . 7411 1 93 . 1 1 50 50 THR H H 1 7.383 0.002 . 1 . . . . 50 THR H . 7411 1 94 . 1 1 50 50 THR N N 15 106.279 0.02 . 1 . . . . 50 THR N . 7411 1 95 . 1 1 51 51 MET H H 1 7.102 0.002 . 1 . . . . 51 MET H . 7411 1 96 . 1 1 51 51 MET N N 15 123.563 0.02 . 1 . . . . 51 MET N . 7411 1 97 . 1 1 52 52 SER H H 1 8.982 0.002 . 1 . . . . 52 SER H . 7411 1 98 . 1 1 52 52 SER N N 15 119.690 0.02 . 1 . . . . 52 SER N . 7411 1 99 . 1 1 53 53 ALA H H 1 8.833 0.002 . 1 . . . . 53 ALA H . 7411 1 100 . 1 1 53 53 ALA N N 15 123.031 0.02 . 1 . . . . 53 ALA N . 7411 1 101 . 1 1 54 54 LYS H H 1 8.237 0.002 . 1 . . . . 54 LYS H . 7411 1 102 . 1 1 54 54 LYS N N 15 117.762 0.02 . 1 . . . . 54 LYS N . 7411 1 103 . 1 1 55 55 GLU H H 1 7.647 0.002 . 1 . . . . 55 GLU H . 7411 1 104 . 1 1 55 55 GLU N N 15 120.126 0.02 . 1 . . . . 55 GLU N . 7411 1 105 . 1 1 56 56 LYS H H 1 8.100 0.002 . 1 . . . . 56 LYS H . 7411 1 106 . 1 1 56 56 LYS N N 15 116.806 0.02 . 1 . . . . 56 LYS N . 7411 1 107 . 1 1 57 57 GLY H H 1 7.825 0.002 . 1 . . . . 57 GLY H . 7411 1 108 . 1 1 57 57 GLY N N 15 106.839 0.02 . 1 . . . . 57 GLY N . 7411 1 109 . 1 1 58 58 LYS H H 1 7.877 0.002 . 1 . . . . 58 LYS H . 7411 1 110 . 1 1 58 58 LYS N N 15 119.135 0.02 . 1 . . . . 58 LYS N . 7411 1 111 . 1 1 59 59 PHE H H 1 7.276 0.002 . 1 . . . . 59 PHE H . 7411 1 112 . 1 1 59 59 PHE N N 15 119.666 0.02 . 1 . . . . 59 PHE N . 7411 1 113 . 1 1 60 60 GLU H H 1 8.403 0.002 . 1 . . . . 60 GLU H . 7411 1 114 . 1 1 60 60 GLU N N 15 121.952 0.02 . 1 . . . . 60 GLU N . 7411 1 115 . 1 1 61 61 ASP H H 1 8.604 0.002 . 1 . . . . 61 ASP H . 7411 1 116 . 1 1 61 61 ASP N N 15 121.005 0.02 . 1 . . . . 61 ASP N . 7411 1 117 . 1 1 62 62 MET H H 1 7.351 0.002 . 1 . . . . 62 MET H . 7411 1 118 . 1 1 62 62 MET N N 15 120.629 0.02 . 1 . . . . 62 MET N . 7411 1 119 . 1 1 63 63 ALA H H 1 7.998 0.002 . 1 . . . . 63 ALA H . 7411 1 120 . 1 1 63 63 ALA N N 15 123.140 0.02 . 1 . . . . 63 ALA N . 7411 1 121 . 1 1 64 64 LYS H H 1 8.586 0.002 . 1 . . . . 64 LYS H . 7411 1 122 . 1 1 64 64 LYS N N 15 122.134 0.02 . 1 . . . . 64 LYS N . 7411 1 123 . 1 1 65 65 ALA H H 1 7.903 0.002 . 1 . . . . 65 ALA H . 7411 1 124 . 1 1 65 65 ALA N N 15 122.592 0.02 . 1 . . . . 65 ALA N . 7411 1 125 . 1 1 66 66 ASP H H 1 8.331 0.002 . 1 . . . . 66 ASP H . 7411 1 126 . 1 1 66 66 ASP N N 15 120.320 0.02 . 1 . . . . 66 ASP N . 7411 1 127 . 1 1 67 67 LYS H H 1 8.219 0.002 . 1 . . . . 67 LYS H . 7411 1 128 . 1 1 67 67 LYS N N 15 120.455 0.02 . 1 . . . . 67 LYS N . 7411 1 129 . 1 1 68 68 ALA H H 1 7.437 0.002 . 1 . . . . 68 ALA H . 7411 1 130 . 1 1 68 68 ALA N N 15 120.551 0.02 . 1 . . . . 68 ALA N . 7411 1 131 . 1 1 69 69 ARG H H 1 7.936 0.002 . 1 . . . . 69 ARG H . 7411 1 132 . 1 1 69 69 ARG N N 15 120.859 0.02 . 1 . . . . 69 ARG N . 7411 1 133 . 1 1 70 70 TYR H H 1 8.586 0.002 . 1 . . . . 70 TYR H . 7411 1 134 . 1 1 70 70 TYR N N 15 121.784 0.02 . 1 . . . . 70 TYR N . 7411 1 135 . 1 1 71 71 GLU H H 1 8.438 0.002 . 1 . . . . 71 GLU H . 7411 1 136 . 1 1 71 71 GLU N N 15 116.726 0.02 . 1 . . . . 71 GLU N . 7411 1 137 . 1 1 72 72 ARG H H 1 7.991 0.002 . 1 . . . . 72 ARG H . 7411 1 138 . 1 1 72 72 ARG N N 15 119.126 0.02 . 1 . . . . 72 ARG N . 7411 1 139 . 1 1 73 73 GLU H H 1 8.474 0.002 . 1 . . . . 73 GLU H . 7411 1 140 . 1 1 73 73 GLU N N 15 119.651 0.02 . 1 . . . . 73 GLU N . 7411 1 141 . 1 1 74 74 MET H H 1 8.484 0.002 . 1 . . . . 74 MET H . 7411 1 142 . 1 1 74 74 MET N N 15 117.212 0.02 . 1 . . . . 74 MET N . 7411 1 143 . 1 1 75 75 LYS H H 1 7.469 0.002 . 1 . . . . 75 LYS H . 7411 1 144 . 1 1 75 75 LYS N N 15 118.485 0.02 . 1 . . . . 75 LYS N . 7411 1 145 . 1 1 76 76 THR H H 1 7.237 0.002 . 1 . . . . 76 THR H . 7411 1 146 . 1 1 76 76 THR N N 15 105.719 0.02 . 1 . . . . 76 THR N . 7411 1 147 . 1 1 77 77 TYR H H 1 7.388 0.002 . 1 . . . . 77 TYR H . 7411 1 148 . 1 1 77 77 TYR N N 15 123.620 0.02 . 1 . . . . 77 TYR N . 7411 1 149 . 1 1 78 78 ILE H H 1 7.791 0.002 . 1 . . . . 78 ILE H . 7411 1 150 . 1 1 78 78 ILE N N 15 129.914 0.02 . 1 . . . . 78 ILE N . 7411 1 151 . 1 1 82 82 GLY H H 1 8.454 0.002 . 1 . . . . 82 GLY H . 7411 1 152 . 1 1 82 82 GLY N N 15 109.907 0.02 . 1 . . . . 82 GLY N . 7411 1 153 . 1 1 84 84 THR H H 1 8.307 0.002 . 1 . . . . 84 THR H . 7411 1 154 . 1 1 84 84 THR N N 15 116.084 0.02 . 1 . . . . 84 THR N . 7411 1 155 . 1 1 85 85 LYS H H 1 8.423 0.002 . 1 . . . . 85 LYS H . 7411 1 156 . 1 1 85 85 LYS N N 15 124.029 0.02 . 1 . . . . 85 LYS N . 7411 1 157 . 1 1 88 88 PHE H H 1 8.389 0.002 . 1 . . . . 88 PHE H . 7411 1 158 . 1 1 88 88 PHE N N 15 121.997 0.02 . 1 . . . . 88 PHE N . 7411 1 159 . 1 1 92 92 ASN H H 1 8.327 0.002 . 1 . . . . 92 ASN H . 7411 1 160 . 1 1 92 92 ASN HD21 H 1 7.062 0.002 . 1 . . . . 92 ASN HD21 . 7411 1 161 . 1 1 92 92 ASN HD22 H 1 7.902 0.002 . 1 . . . . 92 ASN HD22 . 7411 1 162 . 1 1 92 92 ASN N N 15 115.202 0.02 . 1 . . . . 92 ASN N . 7411 1 163 . 1 1 92 92 ASN ND2 N 15 114.560 0.02 . 1 . . . . 92 ASN ND2 . 7411 1 164 . 1 1 93 93 ALA H H 1 7.129 0.002 . 1 . . . . 93 ALA H . 7411 1 165 . 1 1 93 93 ALA N N 15 123.261 0.02 . 1 . . . . 93 ALA N . 7411 1 166 . 1 1 95 95 LYS H H 1 8.458 0.002 . 1 . . . . 95 LYS H . 7411 1 167 . 1 1 95 95 LYS N N 15 123.536 0.02 . 1 . . . . 95 LYS N . 7411 1 168 . 1 1 96 96 ARG H H 1 8.347 0.002 . 1 . . . . 96 ARG H . 7411 1 169 . 1 1 96 96 ARG N N 15 122.705 0.02 . 1 . . . . 96 ARG N . 7411 1 170 . 1 1 99 99 SER H H 1 7.951 0.002 . 1 . . . . 99 SER H . 7411 1 171 . 1 1 99 99 SER N N 15 114.626 0.02 . 1 . . . . 99 SER N . 7411 1 172 . 1 1 100 100 ALA H H 1 9.012 0.002 . 1 . . . . 100 ALA H . 7411 1 173 . 1 1 100 100 ALA N N 15 122.320 0.02 . 1 . . . . 100 ALA N . 7411 1 174 . 1 1 101 101 PHE H H 1 8.384 0.002 . 1 . . . . 101 PHE H . 7411 1 175 . 1 1 101 101 PHE N N 15 115.693 0.02 . 1 . . . . 101 PHE N . 7411 1 176 . 1 1 102 102 PHE H H 1 8.179 0.002 . 1 . . . . 102 PHE H . 7411 1 177 . 1 1 102 102 PHE N N 15 122.607 0.02 . 1 . . . . 102 PHE N . 7411 1 178 . 1 1 103 103 LEU H H 1 8.265 0.002 . 1 . . . . 103 LEU H . 7411 1 179 . 1 1 103 103 LEU N N 15 120.879 0.02 . 1 . . . . 103 LEU N . 7411 1 180 . 1 1 104 104 PHE H H 1 8.101 0.002 . 1 . . . . 104 PHE H . 7411 1 181 . 1 1 104 104 PHE N N 15 123.695 0.02 . 1 . . . . 104 PHE N . 7411 1 182 . 1 1 105 105 CYS H H 1 8.469 0.002 . 1 . . . . 105 CYS H . 7411 1 183 . 1 1 105 105 CYS N N 15 118.053 0.02 . 1 . . . . 105 CYS N . 7411 1 184 . 1 1 106 106 SER H H 1 8.105 0.002 . 1 . . . . 106 SER H . 7411 1 185 . 1 1 106 106 SER N N 15 114.711 0.02 . 1 . . . . 106 SER N . 7411 1 186 . 1 1 107 107 GLU H H 1 7.099 0.002 . 1 . . . . 107 GLU H . 7411 1 187 . 1 1 107 107 GLU N N 15 118.722 0.02 . 1 . . . . 107 GLU N . 7411 1 188 . 1 1 108 108 TYR H H 1 7.882 0.002 . 1 . . . . 108 TYR H . 7411 1 189 . 1 1 108 108 TYR N N 15 114.247 0.02 . 1 . . . . 108 TYR N . 7411 1 190 . 1 1 109 109 ARG H H 1 9.207 0.002 . 1 . . . . 109 ARG H . 7411 1 191 . 1 1 109 109 ARG N N 15 123.326 0.02 . 1 . . . . 109 ARG N . 7411 1 192 . 1 1 111 111 LYS H H 1 6.754 0.002 . 1 . . . . 111 LYS H . 7411 1 193 . 1 1 111 111 LYS N N 15 117.278 0.02 . 1 . . . . 111 LYS N . 7411 1 194 . 1 1 112 112 ILE H H 1 8.139 0.002 . 1 . . . . 112 ILE H . 7411 1 195 . 1 1 112 112 ILE N N 15 119.544 0.02 . 1 . . . . 112 ILE N . 7411 1 196 . 1 1 113 113 LYS H H 1 8.216 0.002 . 1 . . . . 113 LYS H . 7411 1 197 . 1 1 113 113 LYS N N 15 118.300 0.02 . 1 . . . . 113 LYS N . 7411 1 198 . 1 1 114 114 GLY H H 1 7.588 0.002 . 1 . . . . 114 GLY H . 7411 1 199 . 1 1 114 114 GLY N N 15 103.396 0.02 . 1 . . . . 114 GLY N . 7411 1 200 . 1 1 115 115 GLU H H 1 7.465 0.002 . 1 . . . . 115 GLU H . 7411 1 201 . 1 1 115 115 GLU N N 15 119.036 0.02 . 1 . . . . 115 GLU N . 7411 1 202 . 1 1 116 116 HIS H H 1 7.876 0.002 . 1 . . . . 116 HIS H . 7411 1 203 . 1 1 116 116 HIS N N 15 116.249 0.02 . 1 . . . . 116 HIS N . 7411 1 204 . 1 1 118 118 GLY H H 1 8.742 0.002 . 1 . . . . 118 GLY H . 7411 1 205 . 1 1 118 118 GLY N N 15 107.453 0.02 . 1 . . . . 118 GLY N . 7411 1 206 . 1 1 119 119 LEU H H 1 7.337 0.002 . 1 . . . . 119 LEU H . 7411 1 207 . 1 1 119 119 LEU N N 15 120.829 0.02 . 1 . . . . 119 LEU N . 7411 1 208 . 1 1 120 120 SER H H 1 9.248 0.002 . 1 . . . . 120 SER H . 7411 1 209 . 1 1 120 120 SER N N 15 120.617 0.02 . 1 . . . . 120 SER N . 7411 1 210 . 1 1 121 121 ILE H H 1 8.719 0.002 . 1 . . . . 121 ILE H . 7411 1 211 . 1 1 121 121 ILE N N 15 120.305 0.02 . 1 . . . . 121 ILE N . 7411 1 212 . 1 1 122 122 GLY H H 1 8.680 0.002 . 1 . . . . 122 GLY H . 7411 1 213 . 1 1 122 122 GLY N N 15 109.075 0.02 . 1 . . . . 122 GLY N . 7411 1 214 . 1 1 123 123 ASP H H 1 7.915 0.002 . 1 . . . . 123 ASP H . 7411 1 215 . 1 1 123 123 ASP N N 15 123.878 0.02 . 1 . . . . 123 ASP N . 7411 1 216 . 1 1 124 124 VAL H H 1 8.563 0.002 . 1 . . . . 124 VAL H . 7411 1 217 . 1 1 124 124 VAL N N 15 123.531 0.02 . 1 . . . . 124 VAL N . 7411 1 218 . 1 1 125 125 ALA H H 1 7.889 0.002 . 1 . . . . 125 ALA H . 7411 1 219 . 1 1 125 125 ALA N N 15 120.982 0.02 . 1 . . . . 125 ALA N . 7411 1 220 . 1 1 126 126 LYS H H 1 7.983 0.002 . 1 . . . . 126 LYS H . 7411 1 221 . 1 1 126 126 LYS N N 15 119.344 0.02 . 1 . . . . 126 LYS N . 7411 1 222 . 1 1 127 127 LYS H H 1 7.988 0.002 . 1 . . . . 127 LYS H . 7411 1 223 . 1 1 127 127 LYS N N 15 120.867 0.02 . 1 . . . . 127 LYS N . 7411 1 224 . 1 1 128 128 LEU H H 1 8.593 0.002 . 1 . . . . 128 LEU H . 7411 1 225 . 1 1 128 128 LEU N N 15 119.800 0.02 . 1 . . . . 128 LEU N . 7411 1 226 . 1 1 129 129 GLY H H 1 8.216 0.002 . 1 . . . . 129 GLY H . 7411 1 227 . 1 1 129 129 GLY N N 15 105.642 0.02 . 1 . . . . 129 GLY N . 7411 1 228 . 1 1 130 130 GLU H H 1 8.025 0.002 . 1 . . . . 130 GLU H . 7411 1 229 . 1 1 130 130 GLU N N 15 122.858 0.02 . 1 . . . . 130 GLU N . 7411 1 230 . 1 1 131 131 MET H H 1 8.714 0.002 . 1 . . . . 131 MET H . 7411 1 231 . 1 1 131 131 MET N N 15 118.537 0.02 . 1 . . . . 131 MET N . 7411 1 232 . 1 1 132 132 TRP H H 1 8.670 0.002 . 1 . . . . 132 TRP H . 7411 1 233 . 1 1 132 132 TRP HE1 H 1 10.064 0.002 . 1 . . . . 132 TRP HE1 . 7411 1 234 . 1 1 132 132 TRP N N 15 122.225 0.02 . 1 . . . . 132 TRP N . 7411 1 235 . 1 1 132 132 TRP NE1 N 15 128.070 0.02 . 1 . . . . 132 TRP NE1 . 7411 1 236 . 1 1 133 133 ASN H H 1 8.122 0.002 . 1 . . . . 133 ASN H . 7411 1 237 . 1 1 133 133 ASN HD21 H 1 6.814 0.002 . 1 . . . . 133 ASN HD21 . 7411 1 238 . 1 1 133 133 ASN HD22 H 1 7.532 0.002 . 1 . . . . 133 ASN HD22 . 7411 1 239 . 1 1 133 133 ASN N N 15 116.884 0.02 . 1 . . . . 133 ASN N . 7411 1 240 . 1 1 133 133 ASN ND2 N 15 112.177 0.02 . 1 . . . . 133 ASN ND2 . 7411 1 241 . 1 1 134 134 ASN H H 1 7.537 0.002 . 1 . . . . 134 ASN H . 7411 1 242 . 1 1 134 134 ASN HD21 H 1 6.934 0.002 . 1 . . . . 134 ASN HD21 . 7411 1 243 . 1 1 134 134 ASN HD22 H 1 7.572 0.002 . 1 . . . . 134 ASN HD22 . 7411 1 244 . 1 1 134 134 ASN N N 15 115.493 0.02 . 1 . . . . 134 ASN N . 7411 1 245 . 1 1 134 134 ASN ND2 N 15 112.704 0.02 . 1 . . . . 134 ASN ND2 . 7411 1 246 . 1 1 135 135 THR H H 1 7.249 0.002 . 1 . . . . 135 THR H . 7411 1 247 . 1 1 135 135 THR N N 15 119.422 0.02 . 1 . . . . 135 THR N . 7411 1 248 . 1 1 136 136 ALA H H 1 9.184 0.002 . 1 . . . . 136 ALA H . 7411 1 249 . 1 1 136 136 ALA N N 15 130.948 0.02 . 1 . . . . 136 ALA N . 7411 1 250 . 1 1 137 137 ALA H H 1 8.795 0.002 . 1 . . . . 137 ALA H . 7411 1 251 . 1 1 137 137 ALA N N 15 124.540 0.02 . 1 . . . . 137 ALA N . 7411 1 252 . 1 1 138 138 ASP H H 1 8.931 0.002 . 1 . . . . 138 ASP H . 7411 1 253 . 1 1 138 138 ASP N N 15 115.312 0.02 . 1 . . . . 138 ASP N . 7411 1 254 . 1 1 139 139 ASP H H 1 7.291 0.002 . 1 . . . . 139 ASP H . 7411 1 255 . 1 1 139 139 ASP N N 15 117.470 0.02 . 1 . . . . 139 ASP N . 7411 1 256 . 1 1 140 140 LYS H H 1 7.752 0.002 . 1 . . . . 140 LYS H . 7411 1 257 . 1 1 140 140 LYS N N 15 118.595 0.02 . 1 . . . . 140 LYS N . 7411 1 258 . 1 1 141 141 GLN H H 1 7.392 0.002 . 1 . . . . 141 GLN H . 7411 1 259 . 1 1 141 141 GLN HE21 H 1 6.890 0.002 . 1 . . . . 141 GLN HE21 . 7411 1 260 . 1 1 141 141 GLN HE22 H 1 7.609 0.002 . 1 . . . . 141 GLN HE22 . 7411 1 261 . 1 1 141 141 GLN N N 15 117.849 0.02 . 1 . . . . 141 GLN N . 7411 1 262 . 1 1 141 141 GLN NE2 N 15 111.549 0.02 . 1 . . . . 141 GLN NE2 . 7411 1 263 . 1 1 143 143 TYR H H 1 7.173 0.002 . 1 . . . . 143 TYR H . 7411 1 264 . 1 1 143 143 TYR N N 15 115.266 0.02 . 1 . . . . 143 TYR N . 7411 1 265 . 1 1 144 144 GLU H H 1 8.124 0.002 . 1 . . . . 144 GLU H . 7411 1 266 . 1 1 144 144 GLU N N 15 119.362 0.02 . 1 . . . . 144 GLU N . 7411 1 267 . 1 1 145 145 LYS H H 1 9.133 0.002 . 1 . . . . 145 LYS H . 7411 1 268 . 1 1 145 145 LYS N N 15 120.780 0.02 . 1 . . . . 145 LYS N . 7411 1 269 . 1 1 146 146 LYS H H 1 7.650 0.002 . 1 . . . . 146 LYS H . 7411 1 270 . 1 1 146 146 LYS N N 15 120.202 0.02 . 1 . . . . 146 LYS N . 7411 1 271 . 1 1 147 147 ALA H H 1 8.444 0.002 . 1 . . . . 147 ALA H . 7411 1 272 . 1 1 147 147 ALA N N 15 120.748 0.02 . 1 . . . . 147 ALA N . 7411 1 273 . 1 1 148 148 ALA H H 1 8.327 0.002 . 1 . . . . 148 ALA H . 7411 1 274 . 1 1 148 148 ALA N N 15 121.597 0.02 . 1 . . . . 148 ALA N . 7411 1 275 . 1 1 149 149 LYS H H 1 7.918 0.002 . 1 . . . . 149 LYS H . 7411 1 276 . 1 1 149 149 LYS N N 15 120.276 0.02 . 1 . . . . 149 LYS N . 7411 1 277 . 1 1 150 150 LEU H H 1 8.226 0.002 . 1 . . . . 150 LEU H . 7411 1 278 . 1 1 150 150 LEU N N 15 119.657 0.02 . 1 . . . . 150 LEU N . 7411 1 279 . 1 1 151 151 LYS H H 1 8.417 0.002 . 1 . . . . 151 LYS H . 7411 1 280 . 1 1 151 151 LYS N N 15 123.320 0.02 . 1 . . . . 151 LYS N . 7411 1 281 . 1 1 152 152 GLU H H 1 8.039 0.002 . 1 . . . . 152 GLU H . 7411 1 282 . 1 1 152 152 GLU N N 15 119.707 0.02 . 1 . . . . 152 GLU N . 7411 1 283 . 1 1 153 153 LYS H H 1 7.674 0.002 . 1 . . . . 153 LYS H . 7411 1 284 . 1 1 153 153 LYS N N 15 119.259 0.02 . 1 . . . . 153 LYS N . 7411 1 285 . 1 1 154 154 TYR H H 1 8.099 0.002 . 1 . . . . 154 TYR H . 7411 1 286 . 1 1 154 154 TYR N N 15 120.120 0.02 . 1 . . . . 154 TYR N . 7411 1 287 . 1 1 155 155 GLU H H 1 8.493 0.002 . 1 . . . . 155 GLU H . 7411 1 288 . 1 1 155 155 GLU N N 15 117.300 0.02 . 1 . . . . 155 GLU N . 7411 1 289 . 1 1 156 156 LYS H H 1 7.584 0.002 . 1 . . . . 156 LYS H . 7411 1 290 . 1 1 156 156 LYS N N 15 119.886 0.02 . 1 . . . . 156 LYS N . 7411 1 291 . 1 1 157 157 ASP H H 1 8.830 0.002 . 1 . . . . 157 ASP H . 7411 1 292 . 1 1 157 157 ASP N N 15 122.833 0.02 . 1 . . . . 157 ASP N . 7411 1 293 . 1 1 158 158 ILE H H 1 9.282 0.002 . 1 . . . . 158 ILE H . 7411 1 294 . 1 1 158 158 ILE N N 15 122.487 0.02 . 1 . . . . 158 ILE N . 7411 1 295 . 1 1 159 159 ALA H H 1 7.274 0.002 . 1 . . . . 159 ALA H . 7411 1 296 . 1 1 159 159 ALA N N 15 124.657 0.02 . 1 . . . . 159 ALA N . 7411 1 297 . 1 1 160 160 ALA H H 1 7.705 0.002 . 1 . . . . 160 ALA H . 7411 1 298 . 1 1 160 160 ALA N N 15 119.966 0.02 . 1 . . . . 160 ALA N . 7411 1 299 . 1 1 161 161 TYR H H 1 8.144 0.002 . 1 . . . . 161 TYR H . 7411 1 300 . 1 1 161 161 TYR N N 15 119.977 0.02 . 1 . . . . 161 TYR N . 7411 1 301 . 1 1 162 162 ARG H H 1 8.352 0.002 . 1 . . . . 162 ARG H . 7411 1 302 . 1 1 162 162 ARG N N 15 118.528 0.02 . 1 . . . . 162 ARG N . 7411 1 303 . 1 1 163 163 ALA H H 1 7.572 0.002 . 1 . . . . 163 ALA H . 7411 1 304 . 1 1 163 163 ALA N N 15 120.741 0.02 . 1 . . . . 163 ALA N . 7411 1 305 . 1 1 164 164 LYS H H 1 7.564 0.002 . 1 . . . . 164 LYS H . 7411 1 306 . 1 1 164 164 LYS N N 15 117.659 0.02 . 1 . . . . 164 LYS N . 7411 1 307 . 1 1 165 165 GLY H H 1 7.976 0.002 . 1 . . . . 165 GLY H . 7411 1 308 . 1 1 165 165 GLY N N 15 108.070 0.02 . 1 . . . . 165 GLY N . 7411 1 309 . 1 1 166 166 LYS H H 1 8.028 0.002 . 1 . . . . 166 LYS H . 7411 1 310 . 1 1 166 166 LYS N N 15 121.305 0.02 . 1 . . . . 166 LYS N . 7411 1 311 . 1 1 168 168 ASP H H 1 8.410 0.002 . 1 . . . . 168 ASP H . 7411 1 312 . 1 1 168 168 ASP N N 15 119.950 0.02 . 1 . . . . 168 ASP N . 7411 1 313 . 1 1 169 169 ALA H H 1 8.198 0.002 . 1 . . . . 169 ALA H . 7411 1 314 . 1 1 169 169 ALA N N 15 124.354 0.02 . 1 . . . . 169 ALA N . 7411 1 315 . 1 1 170 170 ALA H H 1 8.201 0.002 . 1 . . . . 170 ALA H . 7411 1 316 . 1 1 170 170 ALA N N 15 121.660 0.02 . 1 . . . . 170 ALA N . 7411 1 317 . 1 1 171 171 LYS H H 1 8.045 0.002 . 1 . . . . 171 LYS H . 7411 1 318 . 1 1 171 171 LYS N N 15 119.645 0.02 . 1 . . . . 171 LYS N . 7411 1 319 . 1 1 172 172 LYS H H 1 8.234 0.002 . 1 . . . . 172 LYS H . 7411 1 320 . 1 1 172 172 LYS N N 15 121.825 0.02 . 1 . . . . 172 LYS N . 7411 1 321 . 1 1 173 173 GLY H H 1 8.409 0.002 . 1 . . . . 173 GLY H . 7411 1 322 . 1 1 173 173 GLY N N 15 109.742 0.02 . 1 . . . . 173 GLY N . 7411 1 323 . 1 1 174 174 VAL H H 1 7.956 0.002 . 1 . . . . 174 VAL H . 7411 1 324 . 1 1 174 174 VAL N N 15 119.495 0.02 . 1 . . . . 174 VAL N . 7411 1 325 . 1 1 175 175 VAL H H 1 8.271 0.002 . 1 . . . . 175 VAL H . 7411 1 326 . 1 1 175 175 VAL N N 15 124.728 0.02 . 1 . . . . 175 VAL N . 7411 1 327 . 1 1 176 176 LYS H H 1 8.442 0.002 . 1 . . . . 176 LYS H . 7411 1 328 . 1 1 176 176 LYS N N 15 126.017 0.02 . 1 . . . . 176 LYS N . 7411 1 329 . 1 1 177 177 ALA H H 1 8.379 0.002 . 1 . . . . 177 ALA H . 7411 1 330 . 1 1 177 177 ALA N N 15 125.724 0.02 . 1 . . . . 177 ALA N . 7411 1 331 . 1 1 178 178 GLU H H 1 8.410 0.002 . 1 . . . . 178 GLU H . 7411 1 332 . 1 1 178 178 GLU N N 15 120.523 0.02 . 1 . . . . 178 GLU N . 7411 1 333 . 1 1 179 179 LYS H H 1 8.301 0.002 . 1 . . . . 179 LYS H . 7411 1 334 . 1 1 179 179 LYS N N 15 122.472 0.02 . 1 . . . . 179 LYS N . 7411 1 335 . 1 1 180 180 SER H H 1 8.351 0.002 . 1 . . . . 180 SER H . 7411 1 336 . 1 1 180 180 SER N N 15 116.688 0.02 . 1 . . . . 180 SER N . 7411 1 337 . 1 1 181 181 LYS H H 1 8.406 0.002 . 1 . . . . 181 LYS H . 7411 1 338 . 1 1 181 181 LYS N N 15 123.111 0.02 . 1 . . . . 181 LYS N . 7411 1 339 . 1 1 184 184 LYS H H 1 8.466 0.002 . 1 . . . . 184 LYS H . 7411 1 340 . 1 1 184 184 LYS N N 15 123.081 0.02 . 1 . . . . 184 LYS N . 7411 1 341 . 1 1 185 185 GLU H H 1 8.671 0.002 . 1 . . . . 185 GLU H . 7411 1 342 . 1 1 185 185 GLU N N 15 121.240 0.02 . 1 . . . . 185 GLU N . 7411 1 343 . 1 1 186 186 GLU H H 1 8.348 0.002 . 1 . . . . 186 GLU H . 7411 1 344 . 1 1 186 186 GLU N N 15 119.498 0.02 . 1 . . . . 186 GLU N . 7411 1 345 . 1 1 187 187 GLU H H 1 8.256 0.002 . 1 . . . . 187 GLU H . 7411 1 346 . 1 1 187 187 GLU N N 15 120.190 0.02 . 1 . . . . 187 GLU N . 7411 1 347 . 1 1 188 188 ASP H H 1 8.348 0.002 . 1 . . . . 188 ASP H . 7411 1 348 . 1 1 188 188 ASP N N 15 121.327 0.02 . 1 . . . . 188 ASP N . 7411 1 stop_ save_