################################### # 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 17834 _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' . . . 17834 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 1 1 LEU HA H 1 4.3900 0.02 . 1 . . . A 35 LEU HA . 17834 1 2 . 1 1 1 1 LEU H H 1 8.1952 0.02 . 1 . . . A 35 LEU H1 . 17834 1 3 . 1 1 1 1 LEU N N 15 121.7422 0.2 . 1 . . . A 35 LEU N . 17834 1 4 . 1 1 2 2 GLY H H 1 8.4825 0.02 . 1 . . . A 36 GLY H . 17834 1 5 . 1 1 2 2 GLY HA2 H 1 3.9800 0.02 . 2 . . . A 36 GLY HA2 . 17834 1 6 . 1 1 2 2 GLY N N 15 109.9343 0.2 . 1 . . . A 36 GLY N . 17834 1 7 . 1 1 3 3 GLY H H 1 8.3480 0.02 . 1 . . . A 37 GLY H . 17834 1 8 . 1 1 3 3 GLY N N 15 109.0839 0.2 . 1 . . . A 37 GLY N . 17834 1 9 . 1 1 4 4 TYR H H 1 7.8231 0.02 . 1 . . . A 38 TYR H . 17834 1 10 . 1 1 4 4 TYR HA H 1 4.4400 0.02 . 1 . . . A 38 TYR HA . 17834 1 11 . 1 1 4 4 TYR N N 15 118.0865 0.2 . 1 . . . A 38 TYR N . 17834 1 12 . 1 1 5 5 MET H H 1 9.0877 0.02 . 1 . . . A 39 MET H . 17834 1 13 . 1 1 5 5 MET HA H 1 4.4900 0.02 . 1 . . . A 39 MET HA . 17834 1 14 . 1 1 5 5 MET N N 15 121.4725 0.2 . 1 . . . A 39 MET N . 17834 1 15 . 1 1 6 6 LEU H H 1 8.0300 0.02 . 1 . . . A 40 LEU H . 17834 1 16 . 1 1 6 6 LEU N N 15 121.3000 0.2 . 1 . . . A 40 LEU N . 17834 1 17 . 1 1 7 7 GLY H H 1 9.2300 0.02 . 1 . . . A 41 GLY H . 17834 1 18 . 1 1 7 7 GLY HA2 H 1 3.9700 0.02 . 2 . . . A 41 GLY HA2 . 17834 1 19 . 1 1 7 7 GLY N N 15 114.3000 0.2 . 1 . . . A 41 GLY N . 17834 1 20 . 1 1 8 8 SER H H 1 8.3080 0.02 . 1 . . . A 42 SER H . 17834 1 21 . 1 1 8 8 SER HA H 1 4.4000 0.02 . 1 . . . A 42 SER HA . 17834 1 22 . 1 1 8 8 SER N N 15 113.8177 0.2 . 1 . . . A 42 SER N . 17834 1 23 . 1 1 9 9 ALA H H 1 8.6974 0.02 . 1 . . . A 43 ALA H . 17834 1 24 . 1 1 9 9 ALA N N 15 125.7184 0.2 . 1 . . . A 43 ALA N . 17834 1 25 . 1 1 10 10 MET H H 1 8.7238 0.02 . 1 . . . A 44 MET H . 17834 1 26 . 1 1 10 10 MET HA H 1 4.7100 0.02 . 1 . . . A 44 MET HA . 17834 1 27 . 1 1 10 10 MET N N 15 121.2676 0.2 . 1 . . . A 44 MET N . 17834 1 28 . 1 1 11 11 SER H H 1 8.3960 0.02 . 1 . . . A 45 SER H . 17834 1 29 . 1 1 11 11 SER HA H 1 4.3300 0.02 . 1 . . . A 45 SER HA . 17834 1 30 . 1 1 11 11 SER N N 15 116.3745 0.2 . 1 . . . A 45 SER N . 17834 1 31 . 1 1 12 12 ARG H H 1 8.6320 0.02 . 1 . . . A 46 ARG H . 17834 1 32 . 1 1 12 12 ARG HA H 1 4.4000 0.02 . 1 . . . A 46 ARG HA . 17834 1 33 . 1 1 12 12 ARG N N 15 126.1753 0.2 . 1 . . . A 46 ARG N . 17834 1 34 . 1 1 14 14 MET H H 1 8.6816 0.02 . 1 . . . A 48 MET H . 17834 1 35 . 1 1 14 14 MET HA H 1 4.7200 0.02 . 1 . . . A 48 MET HA . 17834 1 36 . 1 1 14 14 MET N N 15 122.5630 0.2 . 1 . . . A 48 MET N . 17834 1 37 . 1 1 15 15 MET H H 1 7.4360 0.02 . 1 . . . A 49 MET H . 17834 1 38 . 1 1 15 15 MET HA H 1 4.3700 0.02 . 1 . . . A 49 MET HA . 17834 1 39 . 1 1 15 15 MET N N 15 122.0596 0.2 . 1 . . . A 49 MET N . 17834 1 40 . 1 1 16 16 HIS H H 1 8.1420 0.02 . 1 . . . A 50 HIS H . 17834 1 41 . 1 1 16 16 HIS HA H 1 4.8900 0.02 . 1 . . . A 50 HIS HA . 17834 1 42 . 1 1 16 16 HIS N N 15 118.9718 0.2 . 1 . . . A 50 HIS N . 17834 1 43 . 1 1 17 17 PHE H H 1 10.2551 0.02 . 1 . . . A 51 PHE H . 17834 1 44 . 1 1 17 17 PHE HA H 1 4.3400 0.02 . 1 . . . A 51 PHE HA . 17834 1 45 . 1 1 17 17 PHE N N 15 124.2775 0.2 . 1 . . . A 51 PHE N . 17834 1 46 . 1 1 18 18 GLY H H 1 8.9711 0.02 . 1 . . . A 52 GLY H . 17834 1 47 . 1 1 18 18 GLY HA2 H 1 3.7400 0.02 . 2 . . . A 52 GLY HA2 . 17834 1 48 . 1 1 18 18 GLY N N 15 109.1053 0.2 . 1 . . . A 52 GLY N . 17834 1 49 . 1 1 19 19 ASN H H 1 7.2639 0.02 . 1 . . . A 53 ASN H . 17834 1 50 . 1 1 19 19 ASN HA H 1 4.8800 0.02 . 1 . . . A 53 ASN HA . 17834 1 51 . 1 1 19 19 ASN N N 15 114.5304 0.2 . 1 . . . A 53 ASN N . 17834 1 52 . 1 1 20 20 ASP H H 1 9.0002 0.02 . 1 . . . A 54 ASP H . 17834 1 53 . 1 1 20 20 ASP N N 15 123.3885 0.2 . 1 . . . A 54 ASP N . 17834 1 54 . 1 1 21 21 TRP H H 1 8.4557 0.02 . 1 . . . A 55 TRP H . 17834 1 55 . 1 1 21 21 TRP HA H 1 4.2600 0.02 . 1 . . . A 55 TRP HA . 17834 1 56 . 1 1 21 21 TRP N N 15 120.4024 0.2 . 1 . . . A 55 TRP N . 17834 1 57 . 1 1 22 22 GLU H H 1 8.0465 0.02 . 1 . . . A 56 GLU H . 17834 1 58 . 1 1 22 22 GLU N N 15 120.9159 0.2 . 1 . . . A 56 GLU N . 17834 1 59 . 1 1 23 23 ASP H H 1 7.8400 0.02 . 1 . . . A 57 ASP H . 17834 1 60 . 1 1 23 23 ASP HA H 1 4.5900 0.02 . 1 . . . A 57 ASP HA . 17834 1 61 . 1 1 23 23 ASP N N 15 119.3000 0.2 . 1 . . . A 57 ASP N . 17834 1 62 . 1 1 24 24 ARG H H 1 8.0195 0.02 . 1 . . . A 58 ARG H . 17834 1 63 . 1 1 24 24 ARG HA H 1 3.9700 0.02 . 1 . . . A 58 ARG HA . 17834 1 64 . 1 1 24 24 ARG N N 15 119.7827 0.2 . 1 . . . A 58 ARG N . 17834 1 65 . 1 1 25 25 TYR H H 1 8.3300 0.02 . 1 . . . A 59 TYR H . 17834 1 66 . 1 1 25 25 TYR N N 15 121.3000 0.2 . 1 . . . A 59 TYR N . 17834 1 67 . 1 1 26 26 TYR H H 1 8.8637 0.02 . 1 . . . A 60 TYR H . 17834 1 68 . 1 1 26 26 TYR N N 15 119.7114 0.2 . 1 . . . A 60 TYR N . 17834 1 69 . 1 1 27 27 ARG H H 1 7.7312 0.02 . 1 . . . A 61 ARG H . 17834 1 70 . 1 1 27 27 ARG HA H 1 3.6600 0.02 . 1 . . . A 61 ARG HA . 17834 1 71 . 1 1 27 27 ARG N N 15 117.0946 0.2 . 1 . . . A 61 ARG N . 17834 1 72 . 1 1 28 28 GLU H H 1 7.8797 0.02 . 1 . . . A 62 GLU H . 17834 1 73 . 1 1 28 28 GLU HA H 1 4.0200 0.02 . 1 . . . A 62 GLU HA . 17834 1 74 . 1 1 28 28 GLU N N 15 115.6828 0.2 . 1 . . . A 62 GLU N . 17834 1 75 . 1 1 29 29 ASN H H 1 7.4708 0.02 . 1 . . . A 63 ASN H . 17834 1 76 . 1 1 29 29 ASN HA H 1 4.5400 0.02 . 1 . . . A 63 ASN HA . 17834 1 77 . 1 1 29 29 ASN N N 15 115.7207 0.2 . 1 . . . A 63 ASN N . 17834 1 78 . 1 1 30 30 MET H H 1 7.5321 0.02 . 1 . . . A 64 MET H . 17834 1 79 . 1 1 30 30 MET N N 15 118.1864 0.2 . 1 . . . A 64 MET N . 17834 1 80 . 1 1 31 31 ASN H H 1 8.2371 0.02 . 1 . . . A 65 ASN H . 17834 1 81 . 1 1 31 31 ASN HA H 1 4.4200 0.02 . 1 . . . A 65 ASN HA . 17834 1 82 . 1 1 31 31 ASN N N 15 115.6517 0.2 . 1 . . . A 65 ASN N . 17834 1 83 . 1 1 32 32 ARG H H 1 8.0417 0.02 . 1 . . . A 66 ARG H . 17834 1 84 . 1 1 32 32 ARG HA H 1 4.2700 0.02 . 1 . . . A 66 ARG HA . 17834 1 85 . 1 1 32 32 ARG N N 15 117.8361 0.2 . 1 . . . A 66 ARG N . 17834 1 86 . 1 1 33 33 TYR H H 1 7.3971 0.02 . 1 . . . A 67 TYR H . 17834 1 87 . 1 1 33 33 TYR HA H 1 5.0000 0.02 . 1 . . . A 67 TYR HA . 17834 1 88 . 1 1 33 33 TYR N N 15 120.4638 0.2 . 1 . . . A 67 TYR N . 17834 1 89 . 1 1 35 35 ASN H H 1 8.6786 0.02 . 1 . . . A 69 ASN H . 17834 1 90 . 1 1 35 35 ASN HA H 1 4.7200 0.02 . 1 . . . A 69 ASN HA . 17834 1 91 . 1 1 35 35 ASN N N 15 116.5812 0.2 . 1 . . . A 69 ASN N . 17834 1 92 . 1 1 36 36 GLN H H 1 7.2991 0.02 . 1 . . . A 70 GLN H . 17834 1 93 . 1 1 36 36 GLN HA H 1 4.5500 0.02 . 1 . . . A 70 GLN HA . 17834 1 94 . 1 1 36 36 GLN N N 15 114.9846 0.2 . 1 . . . A 70 GLN N . 17834 1 95 . 1 1 37 37 VAL H H 1 8.4071 0.02 . 1 . . . A 71 VAL H . 17834 1 96 . 1 1 37 37 VAL HA H 1 4.9100 0.02 . 1 . . . A 71 VAL HA . 17834 1 97 . 1 1 37 37 VAL N N 15 112.5861 0.2 . 1 . . . A 71 VAL N . 17834 1 98 . 1 1 38 38 TYR H H 1 8.4330 0.02 . 1 . . . A 72 TYR H . 17834 1 99 . 1 1 38 38 TYR HA H 1 5.5300 0.02 . 1 . . . A 72 TYR HA . 17834 1 100 . 1 1 38 38 TYR N N 15 121.4212 0.2 . 1 . . . A 72 TYR N . 17834 1 101 . 1 1 39 39 TYR H H 1 8.4682 0.02 . 1 . . . A 73 TYR H . 17834 1 102 . 1 1 39 39 TYR HA H 1 4.8200 0.02 . 1 . . . A 73 TYR HA . 17834 1 103 . 1 1 39 39 TYR N N 15 111.4150 0.2 . 1 . . . A 73 TYR N . 17834 1 104 . 1 1 40 40 ARG H H 1 7.9400 0.02 . 1 . . . A 74 ARG H . 17834 1 105 . 1 1 40 40 ARG HA H 1 4.6500 0.02 . 1 . . . A 74 ARG HA . 17834 1 106 . 1 1 40 40 ARG N N 15 120.4000 0.2 . 1 . . . A 74 ARG N . 17834 1 107 . 1 1 42 42 VAL H H 1 8.6318 0.02 . 1 . . . A 76 VAL H . 17834 1 108 . 1 1 42 42 VAL N N 15 119.1778 0.2 . 1 . . . A 76 VAL N . 17834 1 109 . 1 1 43 43 ASP H H 1 8.2000 0.02 . 1 . . . A 77 ASP H . 17834 1 110 . 1 1 43 43 ASP HA H 1 4.4000 0.02 . 1 . . . A 77 ASP HA . 17834 1 111 . 1 1 43 43 ASP N N 15 117.5000 0.2 . 1 . . . A 77 ASP N . 17834 1 112 . 1 1 44 44 GLN H H 1 8.1900 0.02 . 1 . . . A 78 GLN H . 17834 1 113 . 1 1 44 44 GLN HA H 1 4.1000 0.02 . 1 . . . A 78 GLN HA . 17834 1 114 . 1 1 44 44 GLN N N 15 117.5000 0.2 . 1 . . . A 78 GLN N . 17834 1 115 . 1 1 45 45 TYR H H 1 7.7874 0.02 . 1 . . . A 79 TYR H . 17834 1 116 . 1 1 45 45 TYR HA H 1 4.8600 0.02 . 1 . . . A 79 TYR HA . 17834 1 117 . 1 1 45 45 TYR N N 15 116.8777 0.2 . 1 . . . A 79 TYR N . 17834 1 118 . 1 1 46 46 ASN H H 1 9.0331 0.02 . 1 . . . A 80 ASN H . 17834 1 119 . 1 1 46 46 ASN HA H 1 4.7600 0.02 . 1 . . . A 80 ASN HA . 17834 1 120 . 1 1 46 46 ASN N N 15 117.6471 0.2 . 1 . . . A 80 ASN N . 17834 1 121 . 1 1 47 47 ASN H H 1 7.5858 0.02 . 1 . . . A 81 ASN H . 17834 1 122 . 1 1 47 47 ASN HA H 1 4.7400 0.02 . 1 . . . A 81 ASN HA . 17834 1 123 . 1 1 47 47 ASN N N 15 113.0035 0.2 . 1 . . . A 81 ASN N . 17834 1 124 . 1 1 48 48 GLN H H 1 8.6432 0.02 . 1 . . . A 82 GLN H . 17834 1 125 . 1 1 48 48 GLN N N 15 120.8128 0.2 . 1 . . . A 82 GLN N . 17834 1 126 . 1 1 49 49 ASN H H 1 8.3819 0.02 . 1 . . . A 83 ASN H . 17834 1 127 . 1 1 49 49 ASN HA H 1 4.2900 0.02 . 1 . . . A 83 ASN HA . 17834 1 128 . 1 1 49 49 ASN N N 15 117.5077 0.2 . 1 . . . A 83 ASN N . 17834 1 129 . 1 1 50 50 ASN H H 1 8.4367 0.02 . 1 . . . A 84 ASN H . 17834 1 130 . 1 1 50 50 ASN HA H 1 4.5500 0.02 . 1 . . . A 84 ASN HA . 17834 1 131 . 1 1 50 50 ASN N N 15 117.9888 0.2 . 1 . . . A 84 ASN N . 17834 1 132 . 1 1 51 51 PHE H H 1 7.1898 0.02 . 1 . . . A 85 PHE H . 17834 1 133 . 1 1 51 51 PHE N N 15 121.3455 0.2 . 1 . . . A 85 PHE N . 17834 1 134 . 1 1 52 52 VAL H H 1 8.7267 0.02 . 1 . . . A 86 VAL H . 17834 1 135 . 1 1 52 52 VAL N N 15 120.1198 0.2 . 1 . . . A 86 VAL N . 17834 1 136 . 1 1 53 53 HIS H H 1 8.4200 0.02 . 1 . . . A 87 HIS H . 17834 1 137 . 1 1 53 53 HIS HA H 1 4.3200 0.02 . 1 . . . A 87 HIS HA . 17834 1 138 . 1 1 53 53 HIS N N 15 116.9000 0.2 . 1 . . . A 87 HIS N . 17834 1 139 . 1 1 54 54 ASP H H 1 7.5652 0.02 . 1 . . . A 88 ASP H . 17834 1 140 . 1 1 54 54 ASP HA H 1 4.5900 0.02 . 1 . . . A 88 ASP HA . 17834 1 141 . 1 1 54 54 ASP N N 15 118.5738 0.2 . 1 . . . A 88 ASP N . 17834 1 142 . 1 1 55 55 CYS H H 1 8.0783 0.02 . 1 . . . A 89 CYS H . 17834 1 143 . 1 1 55 55 CYS N N 15 118.9609 0.2 . 1 . . . A 89 CYS N . 17834 1 144 . 1 1 56 56 VAL H H 1 9.1789 0.02 . 1 . . . A 90 VAL H . 17834 1 145 . 1 1 56 56 VAL HA H 1 3.6100 0.02 . 1 . . . A 90 VAL HA . 17834 1 146 . 1 1 56 56 VAL N N 15 125.3706 0.2 . 1 . . . A 90 VAL N . 17834 1 147 . 1 1 57 57 ASN H H 1 7.6423 0.02 . 1 . . . A 91 ASN H . 17834 1 148 . 1 1 57 57 ASN HA H 1 4.3300 0.02 . 1 . . . A 91 ASN HA . 17834 1 149 . 1 1 57 57 ASN N N 15 116.5453 0.2 . 1 . . . A 91 ASN N . 17834 1 150 . 1 1 58 58 ILE H H 1 8.7901 0.02 . 1 . . . A 92 ILE H . 17834 1 151 . 1 1 58 58 ILE HA H 1 3.7200 0.02 . 1 . . . A 92 ILE HA . 17834 1 152 . 1 1 58 58 ILE N N 15 119.0794 0.2 . 1 . . . A 92 ILE N . 17834 1 153 . 1 1 59 59 THR H H 1 8.2690 0.02 . 1 . . . A 93 THR H . 17834 1 154 . 1 1 59 59 THR HA H 1 4.1000 0.02 . 1 . . . A 93 THR HA . 17834 1 155 . 1 1 59 59 THR N N 15 118.0261 0.2 . 1 . . . A 93 THR N . 17834 1 156 . 1 1 60 60 ILE H H 1 8.5053 0.02 . 1 . . . A 94 ILE H . 17834 1 157 . 1 1 60 60 ILE HA H 1 3.6800 0.02 . 1 . . . A 94 ILE HA . 17834 1 158 . 1 1 60 60 ILE N N 15 120.8943 0.2 . 1 . . . A 94 ILE N . 17834 1 159 . 1 1 61 61 LYS H H 1 8.0800 0.02 . 1 . . . A 95 LYS H . 17834 1 160 . 1 1 61 61 LYS N N 15 122.9000 0.2 . 1 . . . A 95 LYS N . 17834 1 161 . 1 1 62 62 GLN H H 1 8.4900 0.02 . 1 . . . A 96 GLN H . 17834 1 162 . 1 1 62 62 GLN HA H 1 4.0300 0.02 . 1 . . . A 96 GLN HA . 17834 1 163 . 1 1 62 62 GLN N N 15 116.9000 0.2 . 1 . . . A 96 GLN N . 17834 1 164 . 1 1 63 63 HIS H H 1 8.3840 0.02 . 1 . . . A 97 HIS H . 17834 1 165 . 1 1 63 63 HIS N N 15 119.0213 0.2 . 1 . . . A 97 HIS N . 17834 1 166 . 1 1 64 64 THR H H 1 8.4801 0.02 . 1 . . . A 98 THR H . 17834 1 167 . 1 1 64 64 THR HA H 1 4.1100 0.02 . 1 . . . A 98 THR HA . 17834 1 168 . 1 1 64 64 THR N N 15 113.9059 0.2 . 1 . . . A 98 THR N . 17834 1 169 . 1 1 65 65 VAL H H 1 8.0200 0.02 . 1 . . . A 99 VAL H . 17834 1 170 . 1 1 65 65 VAL HA H 1 3.9000 0.02 . 1 . . . A 99 VAL HA . 17834 1 171 . 1 1 65 65 VAL N N 15 123.0000 0.2 . 1 . . . A 99 VAL N . 17834 1 172 . 1 1 66 66 THR H H 1 8.1200 0.02 . 1 . . . A 100 THR H . 17834 1 173 . 1 1 66 66 THR HA H 1 4.1600 0.02 . 1 . . . A 100 THR HA . 17834 1 174 . 1 1 66 66 THR N N 15 115.1000 0.2 . 1 . . . A 100 THR N . 17834 1 175 . 1 1 67 67 THR H H 1 8.0040 0.02 . 1 . . . A 101 THR H . 17834 1 176 . 1 1 67 67 THR HA H 1 4.0800 0.02 . 1 . . . A 101 THR HA . 17834 1 177 . 1 1 67 67 THR N N 15 114.7203 0.2 . 1 . . . A 101 THR N . 17834 1 178 . 1 1 68 68 THR H H 1 8.2009 0.02 . 1 . . . A 102 THR H . 17834 1 179 . 1 1 68 68 THR HA H 1 4.3900 0.02 . 1 . . . A 102 THR HA . 17834 1 180 . 1 1 68 68 THR N N 15 117.4840 0.2 . 1 . . . A 102 THR N . 17834 1 181 . 1 1 69 69 THR H H 1 7.9082 0.02 . 1 . . . A 103 THR H . 17834 1 182 . 1 1 69 69 THR HA H 1 4.2000 0.02 . 1 . . . A 103 THR HA . 17834 1 183 . 1 1 69 69 THR N N 15 116.2451 0.2 . 1 . . . A 103 THR N . 17834 1 184 . 1 1 70 70 LYS H H 1 7.5110 0.02 . 1 . . . A 104 LYS H . 17834 1 185 . 1 1 70 70 LYS HA H 1 4.3900 0.02 . 1 . . . A 104 LYS HA . 17834 1 186 . 1 1 70 70 LYS N N 15 119.8561 0.2 . 1 . . . A 104 LYS N . 17834 1 187 . 1 1 71 71 GLY H H 1 7.9313 0.02 . 1 . . . A 105 GLY H . 17834 1 188 . 1 1 71 71 GLY HA2 H 1 3.7900 0.02 . 2 . . . A 105 GLY HA2 . 17834 1 189 . 1 1 71 71 GLY N N 15 107.9636 0.2 . 1 . . . A 105 GLY N . 17834 1 190 . 1 1 72 72 GLU H H 1 7.4900 0.02 . 1 . . . A 106 GLU H . 17834 1 191 . 1 1 72 72 GLU HA H 1 4.2600 0.02 . 1 . . . A 106 GLU HA . 17834 1 192 . 1 1 72 72 GLU N N 15 120.1000 0.2 . 1 . . . A 106 GLU N . 17834 1 193 . 1 1 73 73 ASN H H 1 8.4970 0.02 . 1 . . . A 107 ASN H . 17834 1 194 . 1 1 73 73 ASN HA H 1 4.6700 0.02 . 1 . . . A 107 ASN HA . 17834 1 195 . 1 1 73 73 ASN N N 15 119.3191 0.2 . 1 . . . A 107 ASN N . 17834 1 196 . 1 1 74 74 PHE H H 1 8.6978 0.02 . 1 . . . A 108 PHE H . 17834 1 197 . 1 1 74 74 PHE HA H 1 5.3000 0.02 . 1 . . . A 108 PHE HA . 17834 1 198 . 1 1 74 74 PHE N N 15 121.3833 0.2 . 1 . . . A 108 PHE N . 17834 1 199 . 1 1 75 75 THR H H 1 9.5920 0.02 . 1 . . . A 109 THR H . 17834 1 200 . 1 1 75 75 THR HA H 1 4.6300 0.02 . 1 . . . A 109 THR HA . 17834 1 201 . 1 1 75 75 THR N N 15 115.6248 0.2 . 1 . . . A 109 THR N . 17834 1 202 . 1 1 76 76 GLU H H 1 9.1471 0.02 . 1 . . . A 110 GLU H . 17834 1 203 . 1 1 76 76 GLU HA H 1 4.0300 0.02 . 1 . . . A 110 GLU HA . 17834 1 204 . 1 1 76 76 GLU N N 15 119.8431 0.2 . 1 . . . A 110 GLU N . 17834 1 205 . 1 1 77 77 THR H H 1 7.8900 0.02 . 1 . . . A 111 THR H . 17834 1 206 . 1 1 77 77 THR HA H 1 3.8100 0.02 . 1 . . . A 111 THR HA . 17834 1 207 . 1 1 77 77 THR N N 15 116.1000 0.2 . 1 . . . A 111 THR N . 17834 1 208 . 1 1 78 78 ASP H H 1 7.5351 0.02 . 1 . . . A 112 ASP H . 17834 1 209 . 1 1 78 78 ASP HA H 1 4.6100 0.02 . 1 . . . A 112 ASP HA . 17834 1 210 . 1 1 78 78 ASP N N 15 119.2930 0.2 . 1 . . . A 112 ASP N . 17834 1 211 . 1 1 79 79 ILE H H 1 8.1300 0.02 . 1 . . . A 113 ILE H . 17834 1 212 . 1 1 79 79 ILE HA H 1 3.4900 0.02 . 1 . . . A 113 ILE HA . 17834 1 213 . 1 1 79 79 ILE N N 15 119.0000 0.2 . 1 . . . A 113 ILE N . 17834 1 214 . 1 1 80 80 LYS H H 1 7.8400 0.02 . 1 . . . A 114 LYS H . 17834 1 215 . 1 1 80 80 LYS HA H 1 4.0300 0.02 . 1 . . . A 114 LYS HA . 17834 1 216 . 1 1 80 80 LYS N N 15 119.2000 0.2 . 1 . . . A 114 LYS N . 17834 1 217 . 1 1 81 81 ILE H H 1 7.9500 0.02 . 1 . . . A 115 ILE H . 17834 1 218 . 1 1 81 81 ILE HA H 1 3.5900 0.02 . 1 . . . A 115 ILE HA . 17834 1 219 . 1 1 81 81 ILE N N 15 119.7000 0.2 . 1 . . . A 115 ILE N . 17834 1 220 . 1 1 82 82 MET H H 1 8.8288 0.02 . 1 . . . A 116 MET H . 17834 1 221 . 1 1 82 82 MET HA H 1 3.5200 0.02 . 1 . . . A 116 MET HA . 17834 1 222 . 1 1 82 82 MET N N 15 119.2702 0.2 . 1 . . . A 116 MET N . 17834 1 223 . 1 1 83 83 GLU H H 1 8.7098 0.02 . 1 . . . A 117 GLU H . 17834 1 224 . 1 1 83 83 GLU N N 15 118.3112 0.2 . 1 . . . A 117 GLU N . 17834 1 225 . 1 1 84 84 ARG H H 1 7.1118 0.02 . 1 . . . A 118 ARG H . 17834 1 226 . 1 1 84 84 ARG HA H 1 4.1800 0.02 . 1 . . . A 118 ARG HA . 17834 1 227 . 1 1 84 84 ARG N N 15 117.0150 0.2 . 1 . . . A 118 ARG N . 17834 1 228 . 1 1 85 85 VAL H H 1 8.3758 0.02 . 1 . . . A 119 VAL H . 17834 1 229 . 1 1 85 85 VAL HA H 1 3.7600 0.02 . 1 . . . A 119 VAL HA . 17834 1 230 . 1 1 85 85 VAL N N 15 120.6844 0.2 . 1 . . . A 119 VAL N . 17834 1 231 . 1 1 86 86 VAL H H 1 9.3452 0.02 . 1 . . . A 120 VAL H . 17834 1 232 . 1 1 86 86 VAL HA H 1 3.6800 0.02 . 1 . . . A 120 VAL HA . 17834 1 233 . 1 1 86 86 VAL N N 15 120.2921 0.2 . 1 . . . A 120 VAL N . 17834 1 234 . 1 1 87 87 GLU H H 1 8.0417 0.02 . 1 . . . A 121 GLU H . 17834 1 235 . 1 1 87 87 GLU N N 15 121.6001 0.2 . 1 . . . A 121 GLU N . 17834 1 236 . 1 1 88 88 GLN H H 1 7.4747 0.02 . 1 . . . A 122 GLN H . 17834 1 237 . 1 1 88 88 GLN HA H 1 4.0630 0.02 . 1 . . . A 122 GLN HA . 17834 1 238 . 1 1 88 88 GLN N N 15 120.1420 0.2 . 1 . . . A 122 GLN N . 17834 1 239 . 1 1 89 89 MET H H 1 8.1924 0.02 . 1 . . . A 123 MET H . 17834 1 240 . 1 1 89 89 MET HA H 1 4.1100 0.02 . 1 . . . A 123 MET HA . 17834 1 241 . 1 1 89 89 MET N N 15 120.4326 0.2 . 1 . . . A 123 MET N . 17834 1 242 . 1 1 90 90 CYS H H 1 9.4907 0.02 . 1 . . . A 124 CYS H . 17834 1 243 . 1 1 90 90 CYS N N 15 118.2829 0.2 . 1 . . . A 124 CYS N . 17834 1 244 . 1 1 91 91 THR H H 1 8.2190 0.02 . 1 . . . A 125 THR H . 17834 1 245 . 1 1 91 91 THR HA H 1 3.7700 0.02 . 1 . . . A 125 THR HA . 17834 1 246 . 1 1 91 91 THR N N 15 120.2507 0.2 . 1 . . . A 125 THR N . 17834 1 247 . 1 1 92 92 THR H H 1 8.2800 0.02 . 1 . . . A 126 THR H . 17834 1 248 . 1 1 92 92 THR HA H 1 3.9300 0.02 . 1 . . . A 126 THR HA . 17834 1 249 . 1 1 92 92 THR N N 15 121.1000 0.2 . 1 . . . A 126 THR N . 17834 1 250 . 1 1 93 93 GLN H H 1 8.5260 0.02 . 1 . . . A 127 GLN H . 17834 1 251 . 1 1 93 93 GLN HA H 1 3.6600 0.02 . 1 . . . A 127 GLN HA . 17834 1 252 . 1 1 93 93 GLN N N 15 122.2345 0.2 . 1 . . . A 127 GLN N . 17834 1 253 . 1 1 94 94 TYR H H 1 8.3974 0.02 . 1 . . . A 128 TYR H . 17834 1 254 . 1 1 94 94 TYR N N 15 119.5691 0.2 . 1 . . . A 128 TYR N . 17834 1 255 . 1 1 95 95 GLN H H 1 7.9600 0.02 . 1 . . . A 129 GLN H . 17834 1 256 . 1 1 95 95 GLN HA H 1 3.6800 0.02 . 1 . . . A 129 GLN HA . 17834 1 257 . 1 1 95 95 GLN N N 15 119.6000 0.2 . 1 . . . A 129 GLN N . 17834 1 258 . 1 1 96 96 LYS H H 1 7.8438 0.02 . 1 . . . A 130 LYS H . 17834 1 259 . 1 1 96 96 LYS HA H 1 3.9700 0.02 . 1 . . . A 130 LYS HA . 17834 1 260 . 1 1 96 96 LYS N N 15 119.2007 0.2 . 1 . . . A 130 LYS N . 17834 1 261 . 1 1 97 97 GLU H H 1 8.3200 0.02 . 1 . . . A 131 GLU H . 17834 1 262 . 1 1 97 97 GLU HA H 1 4.0200 0.02 . 1 . . . A 131 GLU HA . 17834 1 263 . 1 1 97 97 GLU N N 15 118.0000 0.2 . 1 . . . A 131 GLU N . 17834 1 264 . 1 1 98 98 SER H H 1 8.3115 0.02 . 1 . . . A 132 SER H . 17834 1 265 . 1 1 98 98 SER HA H 1 3.9800 0.02 . 1 . . . A 132 SER HA . 17834 1 266 . 1 1 98 98 SER N N 15 114.9042 0.2 . 1 . . . A 132 SER N . 17834 1 267 . 1 1 99 99 GLN H H 1 7.6027 0.02 . 1 . . . A 133 GLN H . 17834 1 268 . 1 1 99 99 GLN HA H 1 4.1600 0.02 . 1 . . . A 133 GLN HA . 17834 1 269 . 1 1 99 99 GLN N N 15 120.6313 0.2 . 1 . . . A 133 GLN N . 17834 1 270 . 1 1 100 100 ALA H H 1 7.5968 0.02 . 1 . . . A 134 ALA H . 17834 1 271 . 1 1 100 100 ALA HA H 1 4.1800 0.02 . 1 . . . A 134 ALA HA . 17834 1 272 . 1 1 100 100 ALA N N 15 120.8419 0.2 . 1 . . . A 134 ALA N . 17834 1 273 . 1 1 101 101 TYR H H 1 7.9065 0.02 . 1 . . . A 135 TYR H . 17834 1 274 . 1 1 101 101 TYR HA H 1 4.2900 0.02 . 1 . . . A 135 TYR HA . 17834 1 275 . 1 1 101 101 TYR N N 15 118.8480 0.2 . 1 . . . A 135 TYR N . 17834 1 276 . 1 1 102 102 TYR H H 1 7.9696 0.02 . 1 . . . A 136 TYR H . 17834 1 277 . 1 1 102 102 TYR HA H 1 4.3400 0.02 . 1 . . . A 136 TYR HA . 17834 1 278 . 1 1 102 102 TYR N N 15 119.6126 0.2 . 1 . . . A 136 TYR N . 17834 1 279 . 1 1 103 103 ASP H H 1 8.1834 0.02 . 1 . . . A 137 ASP H . 17834 1 280 . 1 1 103 103 ASP HA H 1 4.5000 0.02 . 1 . . . A 137 ASP HA . 17834 1 281 . 1 1 103 103 ASP N N 15 121.1195 0.2 . 1 . . . A 137 ASP N . 17834 1 282 . 1 1 104 104 GLY H H 1 7.8769 0.02 . 1 . . . A 138 GLY H . 17834 1 283 . 1 1 104 104 GLY HA2 H 1 3.9000 0.02 . 2 . . . A 138 GLY HA2 . 17834 1 284 . 1 1 104 104 GLY N N 15 108.0828 0.2 . 1 . . . A 138 GLY N . 17834 1 stop_ save_