################################### # 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_chemical_shift_assignment_CMPcc_reduced _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_CMPcc_reduced _Assigned_chem_shift_list.Entry_ID 4054 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions_CMPcc_reduced _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_CMPcc_reduced _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 $sample_CMPcc_reduced . 4054 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 6 6 GLU HA H 1 4.29 . . 1 . . . . . . . . 4054 1 2 . 1 1 7 7 ASP H H 1 8.26 . . 1 . . . . . . . . 4054 1 3 . 1 1 7 7 ASP HA H 1 4.89 . . 1 . . . . . . . . 4054 1 4 . 1 1 7 7 ASP HB2 H 1 2.78 . . 2 . . . . . . . . 4054 1 5 . 1 1 7 7 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4054 1 6 . 1 1 7 7 ASP N N 15 122.9 . . 1 . . . . . . . . 4054 1 7 . 1 1 9 9 CYS H H 1 8.13 . . 1 . . . . . . . . 4054 1 8 . 1 1 9 9 CYS HA H 1 4.35 . . 1 . . . . . . . . 4054 1 9 . 1 1 9 9 CYS HB2 H 1 3.62 . . 2 . . . . . . . . 4054 1 10 . 1 1 9 9 CYS N N 15 115.4 . . 1 . . . . . . . . 4054 1 11 . 1 1 10 10 GLU H H 1 8.33 . . 1 . . . . . . . . 4054 1 12 . 1 1 10 10 GLU HA H 1 4.29 . . 1 . . . . . . . . 4054 1 13 . 1 1 10 10 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 4054 1 14 . 1 1 10 10 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4054 1 15 . 1 1 10 10 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 4054 1 16 . 1 1 10 10 GLU N N 15 121.6 . . 1 . . . . . . . . 4054 1 17 . 1 1 11 11 CYS H H 1 8.41 . . 1 . . . . . . . . 4054 1 18 . 1 1 11 11 CYS HA H 1 4.40 . . 1 . . . . . . . . 4054 1 19 . 1 1 11 11 CYS HB2 H 1 2.99 . . 2 . . . . . . . . 4054 1 20 . 1 1 11 11 CYS HB3 H 1 3.83 . . 2 . . . . . . . . 4054 1 21 . 1 1 11 11 CYS N N 15 118.0 . . 1 . . . . . . . . 4054 1 22 . 1 1 12 12 LYS H H 1 8.25 . . 1 . . . . . . . . 4054 1 23 . 1 1 12 12 LYS HA H 1 4.24 . . 1 . . . . . . . . 4054 1 24 . 1 1 12 12 LYS N N 15 122.2 . . 1 . . . . . . . . 4054 1 25 . 1 1 13 13 SER H H 1 8.20 . . 1 . . . . . . . . 4054 1 26 . 1 1 13 13 SER HA H 1 4.11 . . 1 . . . . . . . . 4054 1 27 . 1 1 13 13 SER HB2 H 1 2.99 . . 2 . . . . . . . . 4054 1 28 . 1 1 13 13 SER N N 15 119.7 . . 1 . . . . . . . . 4054 1 29 . 1 1 14 14 ILE H H 1 7.67 . . 1 . . . . . . . . 4054 1 30 . 1 1 14 14 ILE HA H 1 3.80 . . 1 . . . . . . . . 4054 1 31 . 1 1 14 14 ILE HB H 1 2.10 . . 1 . . . . . . . . 4054 1 32 . 1 1 14 14 ILE N N 15 121.4 . . 1 . . . . . . . . 4054 1 33 . 1 1 15 15 VAL H H 1 7.88 . . 1 . . . . . . . . 4054 1 34 . 1 1 15 15 VAL HA H 1 4.12 . . 1 . . . . . . . . 4054 1 35 . 1 1 15 15 VAL HB H 1 1.93 . . 1 . . . . . . . . 4054 1 36 . 1 1 15 15 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 4054 1 37 . 1 1 15 15 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 4054 1 38 . 1 1 15 15 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 4054 1 39 . 1 1 15 15 VAL N N 15 121.2 . . 1 . . . . . . . . 4054 1 40 . 1 1 16 16 LYS H H 1 8.01 . . 1 . . . . . . . . 4054 1 41 . 1 1 16 16 LYS HA H 1 4.39 . . 1 . . . . . . . . 4054 1 42 . 1 1 16 16 LYS N N 15 122.8 . . 1 . . . . . . . . 4054 1 43 . 1 1 17 17 PHE H H 1 7.87 . . 1 . . . . . . . . 4054 1 44 . 1 1 17 17 PHE HA H 1 4.17 . . 1 . . . . . . . . 4054 1 45 . 1 1 17 17 PHE HB2 H 1 3.37 . . 2 . . . . . . . . 4054 1 46 . 1 1 17 17 PHE HB3 H 1 3.16 . . 2 . . . . . . . . 4054 1 47 . 1 1 17 17 PHE HD1 H 1 7.31 . . 3 . . . . . . . . 4054 1 48 . 1 1 17 17 PHE N N 15 120.4 . . 1 . . . . . . . . 4054 1 49 . 1 1 18 18 GLN H H 1 8.46 . . 1 . . . . . . . . 4054 1 50 . 1 1 18 18 GLN HA H 1 3.59 . . 1 . . . . . . . . 4054 1 51 . 1 1 18 18 GLN HB2 H 1 1.93 . . 2 . . . . . . . . 4054 1 52 . 1 1 18 18 GLN N N 15 118.6 . . 1 . . . . . . . . 4054 1 53 . 1 1 19 19 THR H H 1 7.95 . . 1 . . . . . . . . 4054 1 54 . 1 1 19 19 THR HA H 1 4.01 . . 1 . . . . . . . . 4054 1 55 . 1 1 19 19 THR HB H 1 4.22 . . 1 . . . . . . . . 4054 1 56 . 1 1 19 19 THR HG21 H 1 1.26 . . 1 . . . . . . . . 4054 1 57 . 1 1 19 19 THR HG22 H 1 1.26 . . 1 . . . . . . . . 4054 1 58 . 1 1 19 19 THR HG23 H 1 1.26 . . 1 . . . . . . . . 4054 1 59 . 1 1 19 19 THR N N 15 113.3 . . 1 . . . . . . . . 4054 1 60 . 1 1 20 20 LYS H H 1 7.68 . . 1 . . . . . . . . 4054 1 61 . 1 1 20 20 LYS HA H 1 4.12 . . 1 . . . . . . . . 4054 1 62 . 1 1 20 20 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 4054 1 63 . 1 1 20 20 LYS N N 15 122.6 . . 1 . . . . . . . . 4054 1 64 . 1 1 21 21 VAL H H 1 8.18 . . 1 . . . . . . . . 4054 1 65 . 1 1 21 21 VAL HA H 1 3.52 . . 1 . . . . . . . . 4054 1 66 . 1 1 21 21 VAL HB H 1 2.00 . . 1 . . . . . . . . 4054 1 67 . 1 1 21 21 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4054 1 68 . 1 1 21 21 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4054 1 69 . 1 1 21 21 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4054 1 70 . 1 1 21 21 VAL HG21 H 1 0.67 . . 2 . . . . . . . . 4054 1 71 . 1 1 21 21 VAL HG22 H 1 0.67 . . 2 . . . . . . . . 4054 1 72 . 1 1 21 21 VAL HG23 H 1 0.67 . . 2 . . . . . . . . 4054 1 73 . 1 1 21 21 VAL N N 15 118.5 . . 1 . . . . . . . . 4054 1 74 . 1 1 22 22 GLU H H 1 8.28 . . 1 . . . . . . . . 4054 1 75 . 1 1 22 22 GLU HA H 1 3.84 . . 1 . . . . . . . . 4054 1 76 . 1 1 22 22 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4054 1 77 . 1 1 22 22 GLU N N 15 119.5 . . 1 . . . . . . . . 4054 1 78 . 1 1 23 23 GLU H H 1 7.87 . . 1 . . . . . . . . 4054 1 79 . 1 1 23 23 GLU HA H 1 4.12 . . 1 . . . . . . . . 4054 1 80 . 1 1 23 23 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4054 1 81 . 1 1 23 23 GLU HG2 H 1 2.46 . . 1 . . . . . . . . 4054 1 82 . 1 1 23 23 GLU N N 15 119.4 . . 1 . . . . . . . . 4054 1 83 . 1 1 24 24 LEU H H 1 8.13 . . 1 . . . . . . . . 4054 1 84 . 1 1 24 24 LEU HA H 1 4.11 . . 1 . . . . . . . . 4054 1 85 . 1 1 24 24 LEU HB2 H 1 1.44 . . 2 . . . . . . . . 4054 1 86 . 1 1 24 24 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4054 1 87 . 1 1 24 24 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4054 1 88 . 1 1 24 24 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4054 1 89 . 1 1 24 24 LEU N N 15 121.3 . . 1 . . . . . . . . 4054 1 90 . 1 1 25 25 ILE H H 1 8.56 . . 1 . . . . . . . . 4054 1 91 . 1 1 25 25 ILE HA H 1 3.62 . . 1 . . . . . . . . 4054 1 92 . 1 1 25 25 ILE HB H 1 2.03 . . 1 . . . . . . . . 4054 1 93 . 1 1 25 25 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 4054 1 94 . 1 1 25 25 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4054 1 95 . 1 1 25 25 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4054 1 96 . 1 1 25 25 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4054 1 97 . 1 1 25 25 ILE N N 15 119.4 . . 1 . . . . . . . . 4054 1 98 . 1 1 26 26 ASN H H 1 8.33 . . 1 . . . . . . . . 4054 1 99 . 1 1 26 26 ASN HA H 1 4.50 . . 1 . . . . . . . . 4054 1 100 . 1 1 26 26 ASN HB2 H 1 2.99 . . 2 . . . . . . . . 4054 1 101 . 1 1 26 26 ASN HB3 H 1 2.88 . . 2 . . . . . . . . 4054 1 102 . 1 1 26 26 ASN N N 15 119.5 . . 1 . . . . . . . . 4054 1 103 . 1 1 27 27 THR H H 1 8.23 . . 1 . . . . . . . . 4054 1 104 . 1 1 27 27 THR HA H 1 4.01 . . 1 . . . . . . . . 4054 1 105 . 1 1 27 27 THR HB H 1 4.39 . . 1 . . . . . . . . 4054 1 106 . 1 1 27 27 THR HG21 H 1 1.30 . . 1 . . . . . . . . 4054 1 107 . 1 1 27 27 THR HG22 H 1 1.30 . . 1 . . . . . . . . 4054 1 108 . 1 1 27 27 THR HG23 H 1 1.30 . . 1 . . . . . . . . 4054 1 109 . 1 1 27 27 THR N N 15 116.8 . . 1 . . . . . . . . 4054 1 110 . 1 1 28 28 LEU H H 1 8.03 . . 1 . . . . . . . . 4054 1 111 . 1 1 28 28 LEU HA H 1 4.01 . . 1 . . . . . . . . 4054 1 112 . 1 1 28 28 LEU HB2 H 1 2.04 . . 2 . . . . . . . . 4054 1 113 . 1 1 28 28 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 4054 1 114 . 1 1 28 28 LEU HG H 1 1.93 . . 1 . . . . . . . . 4054 1 115 . 1 1 28 28 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4054 1 116 . 1 1 28 28 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4054 1 117 . 1 1 28 28 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4054 1 118 . 1 1 28 28 LEU N N 15 122.9 . . 1 . . . . . . . . 4054 1 119 . 1 1 29 29 GLN H H 1 8.72 . . 1 . . . . . . . . 4054 1 120 . 1 1 29 29 GLN HA H 1 3.90 . . 1 . . . . . . . . 4054 1 121 . 1 1 29 29 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 4054 1 122 . 1 1 29 29 GLN HG2 H 1 2.50 . . 2 . . . . . . . . 4054 1 123 . 1 1 29 29 GLN HG3 H 1 2.35 . . 2 . . . . . . . . 4054 1 124 . 1 1 29 29 GLN N N 15 118.6 . . 1 . . . . . . . . 4054 1 125 . 1 1 30 30 GLN H H 1 8.01 . . 1 . . . . . . . . 4054 1 126 . 1 1 30 30 GLN HA H 1 4.11 . . 1 . . . . . . . . 4054 1 127 . 1 1 30 30 GLN HB2 H 1 2.25 . . 2 . . . . . . . . 4054 1 128 . 1 1 30 30 GLN HG2 H 1 2.64 . . 2 . . . . . . . . 4054 1 129 . 1 1 30 30 GLN HG3 H 1 2.46 . . 2 . . . . . . . . 4054 1 130 . 1 1 30 30 GLN N N 15 118.7 . . 1 . . . . . . . . 4054 1 131 . 1 1 31 31 LYS H H 1 8.16 . . 1 . . . . . . . . 4054 1 132 . 1 1 31 31 LYS HA H 1 4.15 . . 1 . . . . . . . . 4054 1 133 . 1 1 31 31 LYS HB2 H 1 2.14 . . 2 . . . . . . . . 4054 1 134 . 1 1 31 31 LYS HB3 H 1 2.03 . . 2 . . . . . . . . 4054 1 135 . 1 1 31 31 LYS N N 15 121.1 . . 1 . . . . . . . . 4054 1 136 . 1 1 32 32 LEU H H 1 8.55 . . 1 . . . . . . . . 4054 1 137 . 1 1 32 32 LEU HA H 1 4.05 . . 1 . . . . . . . . 4054 1 138 . 1 1 32 32 LEU HB2 H 1 1.93 . . 2 . . . . . . . . 4054 1 139 . 1 1 32 32 LEU HB3 H 1 1.72 . . 2 . . . . . . . . 4054 1 140 . 1 1 32 32 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4054 1 141 . 1 1 32 32 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4054 1 142 . 1 1 32 32 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4054 1 143 . 1 1 32 32 LEU N N 15 121.5 . . 1 . . . . . . . . 4054 1 144 . 1 1 33 33 GLU H H 1 8.12 . . 1 . . . . . . . . 4054 1 145 . 1 1 33 33 GLU HA H 1 4.08 . . 1 . . . . . . . . 4054 1 146 . 1 1 33 33 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4054 1 147 . 1 1 33 33 GLU HG2 H 1 2.43 . . 1 . . . . . . . . 4054 1 148 . 1 1 33 33 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 4054 1 149 . 1 1 33 33 GLU N N 15 119.8 . . 1 . . . . . . . . 4054 1 150 . 1 1 34 34 ALA H H 1 7.71 . . 1 . . . . . . . . 4054 1 151 . 1 1 34 34 ALA HA H 1 4.19 . . 1 . . . . . . . . 4054 1 152 . 1 1 34 34 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 4054 1 153 . 1 1 34 34 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 4054 1 154 . 1 1 34 34 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 4054 1 155 . 1 1 34 34 ALA N N 15 121.4 . . 1 . . . . . . . . 4054 1 156 . 1 1 35 35 VAL H H 1 8.08 . . 1 . . . . . . . . 4054 1 157 . 1 1 35 35 VAL HA H 1 3.73 . . 1 . . . . . . . . 4054 1 158 . 1 1 35 35 VAL HB H 1 2.32 . . 1 . . . . . . . . 4054 1 159 . 1 1 35 35 VAL HG11 H 1 1.09 . . 2 . . . . . . . . 4054 1 160 . 1 1 35 35 VAL HG12 H 1 1.09 . . 2 . . . . . . . . 4054 1 161 . 1 1 35 35 VAL HG13 H 1 1.09 . . 2 . . . . . . . . 4054 1 162 . 1 1 35 35 VAL HG21 H 1 0.91 . . 2 . . . . . . . . 4054 1 163 . 1 1 35 35 VAL HG22 H 1 0.91 . . 2 . . . . . . . . 4054 1 164 . 1 1 35 35 VAL HG23 H 1 0.91 . . 2 . . . . . . . . 4054 1 165 . 1 1 35 35 VAL N N 15 118.0 . . 1 . . . . . . . . 4054 1 166 . 1 1 36 36 ALA H H 1 8.47 . . 1 . . . . . . . . 4054 1 167 . 1 1 36 36 ALA HA H 1 3.97 . . 1 . . . . . . . . 4054 1 168 . 1 1 36 36 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4054 1 169 . 1 1 36 36 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4054 1 170 . 1 1 36 36 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4054 1 171 . 1 1 36 36 ALA N N 15 123.5 . . 1 . . . . . . . . 4054 1 172 . 1 1 37 37 LYS H H 1 7.90 . . 1 . . . . . . . . 4054 1 173 . 1 1 37 37 LYS HA H 1 4.12 . . 1 . . . . . . . . 4054 1 174 . 1 1 37 37 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 4054 1 175 . 1 1 37 37 LYS N N 15 117.7 . . 1 . . . . . . . . 4054 1 176 . 1 1 38 38 ARG H H 1 7.65 . . 1 . . . . . . . . 4054 1 177 . 1 1 38 38 ARG HA H 1 4.15 . . 1 . . . . . . . . 4054 1 178 . 1 1 38 38 ARG HB2 H 1 2.04 . . 2 . . . . . . . . 4054 1 179 . 1 1 38 38 ARG N N 15 120.4 . . 1 . . . . . . . . 4054 1 180 . 1 1 39 39 ILE H H 1 8.11 . . 1 . . . . . . . . 4054 1 181 . 1 1 39 39 ILE HA H 1 3.73 . . 1 . . . . . . . . 4054 1 182 . 1 1 39 39 ILE HB H 1 1.93 . . 1 . . . . . . . . 4054 1 183 . 1 1 39 39 ILE HG12 H 1 1.76 . . 2 . . . . . . . . 4054 1 184 . 1 1 39 39 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4054 1 185 . 1 1 39 39 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4054 1 186 . 1 1 39 39 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4054 1 187 . 1 1 39 39 ILE HD11 H 1 0.88 . . 1 . . . . . . . . 4054 1 188 . 1 1 39 39 ILE HD12 H 1 0.88 . . 1 . . . . . . . . 4054 1 189 . 1 1 39 39 ILE HD13 H 1 0.88 . . 1 . . . . . . . . 4054 1 190 . 1 1 39 39 ILE N N 15 120.2 . . 1 . . . . . . . . 4054 1 191 . 1 1 40 40 GLU H H 1 7.97 . . 1 . . . . . . . . 4054 1 192 . 1 1 40 40 GLU HA H 1 4.11 . . 1 . . . . . . . . 4054 1 193 . 1 1 40 40 GLU HB2 H 1 2.14 . . 2 . . . . . . . . 4054 1 194 . 1 1 40 40 GLU N N 15 121.8 . . 1 . . . . . . . . 4054 1 195 . 1 1 41 41 ALA H H 1 7.53 . . 1 . . . . . . . . 4054 1 196 . 1 1 41 41 ALA HA H 1 4.18 . . 1 . . . . . . . . 4054 1 197 . 1 1 41 41 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 4054 1 198 . 1 1 41 41 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 4054 1 199 . 1 1 41 41 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 4054 1 200 . 1 1 41 41 ALA N N 15 119.2 . . 1 . . . . . . . . 4054 1 201 . 1 1 42 42 LEU H H 1 7.43 . . 1 . . . . . . . . 4054 1 202 . 1 1 42 42 LEU HA H 1 4.08 . . 1 . . . . . . . . 4054 1 203 . 1 1 42 42 LEU HB2 H 1 2.04 . . 2 . . . . . . . . 4054 1 204 . 1 1 42 42 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 4054 1 205 . 1 1 42 42 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4054 1 206 . 1 1 42 42 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4054 1 207 . 1 1 42 42 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4054 1 208 . 1 1 42 42 LEU N N 15 118.2 . . 1 . . . . . . . . 4054 1 209 . 1 1 43 43 GLU H H 1 8.52 . . 1 . . . . . . . . 4054 1 210 . 1 1 43 43 GLU HA H 1 3.87 . . 1 . . . . . . . . 4054 1 211 . 1 1 43 43 GLU HB2 H 1 2.32 . . 2 . . . . . . . . 4054 1 212 . 1 1 43 43 GLU HB3 H 1 1.97 . . 2 . . . . . . . . 4054 1 213 . 1 1 43 43 GLU HG2 H 1 2.53 . . 1 . . . . . . . . 4054 1 214 . 1 1 43 43 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 4054 1 215 . 1 1 43 43 GLU N N 15 118.6 . . 1 . . . . . . . . 4054 1 216 . 1 1 44 44 ASN H H 1 7.63 . . 1 . . . . . . . . 4054 1 217 . 1 1 44 44 ASN HA H 1 4.64 . . 1 . . . . . . . . 4054 1 218 . 1 1 44 44 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4054 1 219 . 1 1 44 44 ASN N N 15 113.8 . . 1 . . . . . . . . 4054 1 220 . 1 1 45 45 LYS H H 1 7.56 . . 1 . . . . . . . . 4054 1 221 . 1 1 45 45 LYS HA H 1 4.36 . . 1 . . . . . . . . 4054 1 222 . 1 1 45 45 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 4054 1 223 . 1 1 45 45 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4054 1 224 . 1 1 45 45 LYS HD2 H 1 1.65 . . 2 . . . . . . . . 4054 1 225 . 1 1 45 45 LYS N N 15 118.3 . . 1 . . . . . . . . 4054 1 226 . 1 1 46 46 ILE H H 1 7.51 . . 1 . . . . . . . . 4054 1 227 . 1 1 46 46 ILE HA H 1 4.26 . . 1 . . . . . . . . 4054 1 228 . 1 1 46 46 ILE HB H 1 1.93 . . 1 . . . . . . . . 4054 1 229 . 1 1 46 46 ILE HG12 H 1 1.26 . . 2 . . . . . . . . 4054 1 230 . 1 1 46 46 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4054 1 231 . 1 1 46 46 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4054 1 232 . 1 1 46 46 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4054 1 233 . 1 1 46 46 ILE N N 15 118.3 . . 1 . . . . . . . . 4054 1 234 . 1 1 47 47 ILE H H 1 7.41 . . 1 . . . . . . . . 4054 1 235 . 1 1 47 47 ILE HA H 1 4.05 . . 1 . . . . . . . . 4054 1 236 . 1 1 47 47 ILE HB H 1 1.86 . . 1 . . . . . . . . 4054 1 237 . 1 1 47 47 ILE HG12 H 1 1.48 . . 2 . . . . . . . . 4054 1 238 . 1 1 47 47 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 4054 1 239 . 1 1 47 47 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4054 1 240 . 1 1 47 47 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4054 1 241 . 1 1 47 47 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4054 1 242 . 1 1 47 47 ILE N N 15 127.6 . . 1 . . . . . . . . 4054 1 stop_ save_