################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31093 _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 $chem_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-1H TOCSY' . . . 31093 1 2 '2D 1H-1H NOESY' . . . 31093 1 3 '2D 1H-13C HSQC' . . . 31093 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 1 1 ILE HA H 1 4.035 0.0 . 1 . . 112 . A 1 ILE HA . 31093 1 2 . 1 . 1 1 1 ILE HB H 1 1.989 0.0 . 1 . . 185 . A 1 ILE HB . 31093 1 3 . 1 . 1 1 1 ILE HG12 H 1 1.601 0.0 . 2 . . 182 . A 1 ILE HG12 . 31093 1 4 . 1 . 1 1 1 ILE HG13 H 1 1.601 0.0 . 2 . . 183 . A 1 ILE HG13 . 31093 1 5 . 1 . 1 1 1 ILE HG21 H 1 1.038 0.0 . 1 . . 179 . A 1 ILE HG21 . 31093 1 6 . 1 . 1 1 1 ILE HG22 H 1 1.038 0.0 . 1 . . 179 . A 1 ILE HG22 . 31093 1 7 . 1 . 1 1 1 ILE HG23 H 1 1.038 0.0 . 1 . . 179 . A 1 ILE HG23 . 31093 1 8 . 1 . 1 1 1 ILE CA C 13 60.377 . . 1 . . 113 . A 1 ILE CA . 31093 1 9 . 1 . 1 1 1 ILE CB C 13 39.154 . . 1 . . 184 . A 1 ILE CB . 31093 1 10 . 1 . 1 1 1 ILE CG1 C 13 26.824 . . 1 . . 181 . A 1 ILE CG1 . 31093 1 11 . 1 . 1 1 1 ILE CG2 C 13 16.703 . . 1 . . 180 . A 1 ILE CG2 . 31093 1 12 . 1 . 1 2 2 ILE H H 1 8.017 0.0 . 1 . . 103 . A 2 ILE H . 31093 1 13 . 1 . 1 2 2 ILE HA H 1 4.209 0.0 . 1 . . 102 . A 2 ILE HA . 31093 1 14 . 1 . 1 2 2 ILE HB H 1 1.902 0.0 . 1 . . 106 . A 2 ILE HB . 31093 1 15 . 1 . 1 2 2 ILE HG12 H 1 1.178 0.002 . 2 . . 108 . A 2 ILE HG12 . 31093 1 16 . 1 . 1 2 2 ILE HG13 H 1 1.178 0.002 . 2 . . 109 . A 2 ILE HG13 . 31093 1 17 . 1 . 1 2 2 ILE HG21 H 1 0.948 0.002 . 1 . . 111 . A 2 ILE HG21 . 31093 1 18 . 1 . 1 2 2 ILE HG22 H 1 0.948 0.002 . 1 . . 111 . A 2 ILE HG22 . 31093 1 19 . 1 . 1 2 2 ILE HG23 H 1 0.948 0.002 . 1 . . 111 . A 2 ILE HG23 . 31093 1 20 . 1 . 1 2 2 ILE CA C 13 61.488 . . 1 . . 104 . A 2 ILE CA . 31093 1 21 . 1 . 1 2 2 ILE CB C 13 39.276 . . 1 . . 105 . A 2 ILE CB . 31093 1 22 . 1 . 1 2 2 ILE CG1 C 13 27.055 . . 1 . . 107 . A 2 ILE CG1 . 31093 1 23 . 1 . 1 2 2 ILE CG2 C 13 17.506 . . 1 . . 110 . A 2 ILE CG2 . 31093 1 24 . 1 . 1 3 3 ASN H H 1 8.401 0.0 . 1 . . 40 . A 3 ASN H . 31093 1 25 . 1 . 1 3 3 ASN HA H 1 4.851 0.0 . 1 . . 41 . A 3 ASN HA . 31093 1 26 . 1 . 1 3 3 ASN HB2 H 1 2.781 0.0 . 2 . . 38 . A 3 ASN HB2 . 31093 1 27 . 1 . 1 3 3 ASN HB3 H 1 3.013 0.009 . 2 . . 39 . A 3 ASN HB3 . 31093 1 28 . 1 . 1 3 3 ASN HD21 H 1 6.847 0.002 . 1 . . 202 . A 3 ASN HD21 . 31093 1 29 . 1 . 1 3 3 ASN HD22 H 1 7.615 0.0 . 1 . . 203 . A 3 ASN HD22 . 31093 1 30 . 1 . 1 3 3 ASN CB C 13 38.701 0.0 . 1 . . 37 . A 3 ASN CB . 31093 1 31 . 1 . 1 4 4 VAL H H 1 8.398 0.001 . 1 . . 16 . A 4 VAL H . 31093 1 32 . 1 . 1 4 4 VAL HA H 1 3.738 0.0 . 1 . . 15 . A 4 VAL HA . 31093 1 33 . 1 . 1 4 4 VAL HB H 1 2.207 0.0 . 1 . . 17 . A 4 VAL HB . 31093 1 34 . 1 . 1 4 4 VAL HG11 H 1 0.948 0.0 . 2 . . 18 . A 4 VAL HG11 . 31093 1 35 . 1 . 1 4 4 VAL HG12 H 1 0.948 0.0 . 2 . . 18 . A 4 VAL HG12 . 31093 1 36 . 1 . 1 4 4 VAL HG13 H 1 0.948 0.0 . 2 . . 18 . A 4 VAL HG13 . 31093 1 37 . 1 . 1 4 4 VAL HG21 H 1 1.039 0.0 . 2 . . 19 . A 4 VAL HG21 . 31093 1 38 . 1 . 1 4 4 VAL HG22 H 1 1.039 0.0 . 2 . . 19 . A 4 VAL HG22 . 31093 1 39 . 1 . 1 4 4 VAL HG23 H 1 1.039 0.0 . 2 . . 19 . A 4 VAL HG23 . 31093 1 40 . 1 . 1 4 4 VAL CA C 13 65.583 . . 1 . . 23 . A 4 VAL CA . 31093 1 41 . 1 . 1 4 4 VAL CB C 13 31.950 . . 1 . . 22 . A 4 VAL CB . 31093 1 42 . 1 . 1 4 4 VAL CG1 C 13 21.566 . . 2 . . 20 . A 4 VAL CG1 . 31093 1 43 . 1 . 1 4 4 VAL CG2 C 13 22.176 . . 2 . . 21 . A 4 VAL CG2 . 31093 1 44 . 1 . 1 5 5 LYS H H 1 8.259 0.002 . 1 . . 125 . A 5 LYS H . 31093 1 45 . 1 . 1 5 5 LYS HA H 1 3.929 0.002 . 1 . . 124 . A 5 LYS HA . 31093 1 46 . 1 . 1 5 5 LYS HB2 H 1 1.946 0.003 . 2 . . 137 . A 5 LYS HB2 . 31093 1 47 . 1 . 1 5 5 LYS HB3 H 1 1.946 0.002 . 2 . . 138 . A 5 LYS HB3 . 31093 1 48 . 1 . 1 5 5 LYS HG2 H 1 1.385 0.0 . 2 . . 133 . A 5 LYS HG2 . 31093 1 49 . 1 . 1 5 5 LYS HG3 H 1 1.385 0.0 . 2 . . 135 . A 5 LYS HG3 . 31093 1 50 . 1 . 1 5 5 LYS HD2 H 1 1.798 0.0 . 2 . . 169 . A 5 LYS HD2 . 31093 1 51 . 1 . 1 5 5 LYS HD3 H 1 1.798 0.0 . 2 . . 170 . A 5 LYS HD3 . 31093 1 52 . 1 . 1 5 5 LYS HE2 H 1 3.034 0.0 . 2 . . 172 . A 5 LYS HE2 . 31093 1 53 . 1 . 1 5 5 LYS HE3 H 1 3.034 0.002 . 2 . . 173 . A 5 LYS HE3 . 31093 1 54 . 1 . 1 5 5 LYS CA C 13 60.593 . . 1 . . 126 . A 5 LYS CA . 31093 1 55 . 1 . 1 5 5 LYS CB C 13 32.132 . . 1 . . 139 . A 5 LYS CB . 31093 1 56 . 1 . 1 5 5 LYS CG C 13 25.865 . . 1 . . 136 . A 5 LYS CG . 31093 1 57 . 1 . 1 5 5 LYS CD C 13 29.372 . . 1 . . 171 . A 5 LYS CD . 31093 1 58 . 1 . 1 5 5 LYS CE C 13 42.161 . . 1 . . 174 . A 5 LYS CE . 31093 1 59 . 1 . 1 6 6 THR H H 1 7.987 0.0 . 1 . . 36 . A 6 THR H . 31093 1 60 . 1 . 1 6 6 THR HA H 1 4.045 0.006 . 1 . . 33 . A 6 THR HA . 31093 1 61 . 1 . 1 6 6 THR HB H 1 4.168 0.0 . 1 . . 31 . A 6 THR HB . 31093 1 62 . 1 . 1 6 6 THR HG21 H 1 1.252 0.003 . 1 . . 35 . A 6 THR HG21 . 31093 1 63 . 1 . 1 6 6 THR HG22 H 1 1.252 0.003 . 1 . . 35 . A 6 THR HG22 . 31093 1 64 . 1 . 1 6 6 THR HG23 H 1 1.252 0.003 . 1 . . 35 . A 6 THR HG23 . 31093 1 65 . 1 . 1 6 6 THR CA C 13 65.299 . . 1 . . 32 . A 6 THR CA . 31093 1 66 . 1 . 1 6 6 THR CB C 13 68.688 . . 1 . . 30 . A 6 THR CB . 31093 1 67 . 1 . 1 6 6 THR CG2 C 13 21.804 . . 1 . . 34 . A 6 THR CG2 . 31093 1 68 . 1 . 1 7 7 SER H H 1 8.132 0.0 . 1 . . 25 . A 7 SER H . 31093 1 69 . 1 . 1 7 7 SER HA H 1 4.391 0.0 . 1 . . 24 . A 7 SER HA . 31093 1 70 . 1 . 1 7 7 SER HB2 H 1 4.049 0.003 . 2 . . 27 . A 7 SER HB2 . 31093 1 71 . 1 . 1 7 7 SER HB3 H 1 3.910 0.003 . 2 . . 28 . A 7 SER HB3 . 31093 1 72 . 1 . 1 7 7 SER CA C 13 61.772 . . 1 . . 26 . A 7 SER CA . 31093 1 73 . 1 . 1 7 7 SER CB C 13 63.048 0.0 . 1 . . 29 . A 7 SER CB . 31093 1 74 . 1 . 1 8 8 LEU H H 1 8.439 0.0 . 1 . . 83 . A 8 LEU H . 31093 1 75 . 1 . 1 8 8 LEU HA H 1 4.080 0.011 . 1 . . 82 . A 8 LEU HA . 31093 1 76 . 1 . 1 8 8 LEU HB2 H 1 1.574 0.003 . 2 . . 85 . A 8 LEU HB2 . 31093 1 77 . 1 . 1 8 8 LEU HB3 H 1 1.574 0.003 . 2 . . 86 . A 8 LEU HB3 . 31093 1 78 . 1 . 1 8 8 LEU HG H 1 1.862 0.0 . 1 . . 88 . A 8 LEU HG . 31093 1 79 . 1 . 1 8 8 LEU HD11 H 1 0.901 0.0 . 1 . . 89 . A 8 LEU HD11 . 31093 1 80 . 1 . 1 8 8 LEU HD12 H 1 0.901 0.0 . 1 . . 89 . A 8 LEU HD12 . 31093 1 81 . 1 . 1 8 8 LEU HD13 H 1 0.901 0.0 . 1 . . 89 . A 8 LEU HD13 . 31093 1 82 . 1 . 1 8 8 LEU CA C 13 58.062 . . 1 . . 81 . A 8 LEU CA . 31093 1 83 . 1 . 1 8 8 LEU CB C 13 41.760 . . 1 . . 84 . A 8 LEU CB . 31093 1 84 . 1 . 1 8 8 LEU CG C 13 27.067 . . 1 . . 87 . A 8 LEU CG . 31093 1 85 . 1 . 1 8 8 LEU CD1 C 13 23.948 . . 1 . . 178 . A 8 LEU CD1 . 31093 1 86 . 1 . 1 9 9 LYS H H 1 8.138 0.001 . 1 . . 132 . A 9 LYS H . 31093 1 87 . 1 . 1 9 9 LYS HA H 1 3.831 0.005 . 1 . . 131 . A 9 LYS HA . 31093 1 88 . 1 . 1 9 9 LYS HB2 H 1 1.966 0.006 . 2 . . 153 . A 9 LYS HB2 . 31093 1 89 . 1 . 1 9 9 LYS HB3 H 1 1.966 0.006 . 2 . . 154 . A 9 LYS HB3 . 31093 1 90 . 1 . 1 9 9 LYS HG2 H 1 1.644 0.006 . 2 . . 176 . A 9 LYS HG2 . 31093 1 91 . 1 . 1 9 9 LYS HG3 H 1 1.644 0.006 . 2 . . 177 . A 9 LYS HG3 . 31093 1 92 . 1 . 1 9 9 LYS HD2 H 1 1.777 0.005 . 2 . . 156 . A 9 LYS HD2 . 31093 1 93 . 1 . 1 9 9 LYS HD3 H 1 1.777 0.005 . 2 . . 157 . A 9 LYS HD3 . 31093 1 94 . 1 . 1 9 9 LYS HE2 H 1 2.972 0.0 . 2 . . 150 . A 9 LYS HE2 . 31093 1 95 . 1 . 1 9 9 LYS HE3 H 1 2.972 0.0 . 2 . . 151 . A 9 LYS HE3 . 31093 1 96 . 1 . 1 9 9 LYS CA C 13 60.944 . . 1 . . 130 . A 9 LYS CA . 31093 1 97 . 1 . 1 9 9 LYS CB C 13 32.021 . . 1 . . 152 . A 9 LYS CB . 31093 1 98 . 1 . 1 9 9 LYS CG C 13 25.828 . . 1 . . 175 . A 9 LYS CG . 31093 1 99 . 1 . 1 9 9 LYS CD C 13 29.379 . . 1 . . 155 . A 9 LYS CD . 31093 1 100 . 1 . 1 9 9 LYS CE C 13 42.103 . . 1 . . 149 . A 9 LYS CE . 31093 1 101 . 1 . 1 10 10 THR H H 1 7.807 0.001 . 1 . . 53 . A 10 THR H . 31093 1 102 . 1 . 1 10 10 THR HA H 1 3.857 0.005 . 1 . . 57 . A 10 THR HA . 31093 1 103 . 1 . 1 10 10 THR HB H 1 4.391 0.0 . 1 . . 55 . A 10 THR HB . 31093 1 104 . 1 . 1 10 10 THR HG21 H 1 1.265 0.001 . 1 . . 54 . A 10 THR HG21 . 31093 1 105 . 1 . 1 10 10 THR HG22 H 1 1.265 0.001 . 1 . . 54 . A 10 THR HG22 . 31093 1 106 . 1 . 1 10 10 THR HG23 H 1 1.265 0.001 . 1 . . 54 . A 10 THR HG23 . 31093 1 107 . 1 . 1 10 10 THR CA C 13 66.859 . . 1 . . 58 . A 10 THR CA . 31093 1 108 . 1 . 1 10 10 THR CB C 13 68.945 . . 1 . . 56 . A 10 THR CB . 31093 1 109 . 1 . 1 10 10 THR CG2 C 13 21.840 . . 1 . . 52 . A 10 THR CG2 . 31093 1 110 . 1 . 1 11 11 ILE H H 1 7.932 0.0 . 1 . . 120 . A 11 ILE H . 31093 1 111 . 1 . 1 11 11 ILE HA H 1 3.841 0.005 . 1 . . 115 . A 11 ILE HA . 31093 1 112 . 1 . 1 11 11 ILE HB H 1 1.999 0.007 . 1 . . 117 . A 11 ILE HB . 31093 1 113 . 1 . 1 11 11 ILE HG12 H 1 1.271 0.001 . 2 . . 161 . A 11 ILE HG12 . 31093 1 114 . 1 . 1 11 11 ILE HG13 H 1 1.271 0.001 . 2 . . 162 . A 11 ILE HG13 . 31093 1 115 . 1 . 1 11 11 ILE HG21 H 1 0.969 0.004 . 1 . . 119 . A 11 ILE HG21 . 31093 1 116 . 1 . 1 11 11 ILE HG22 H 1 0.969 0.004 . 1 . . 119 . A 11 ILE HG22 . 31093 1 117 . 1 . 1 11 11 ILE HG23 H 1 0.969 0.004 . 1 . . 119 . A 11 ILE HG23 . 31093 1 118 . 1 . 1 11 11 ILE HD11 H 1 0.890 0.006 . 1 . . 159 . A 11 ILE HD11 . 31093 1 119 . 1 . 1 11 11 ILE HD12 H 1 0.890 0.006 . 1 . . 159 . A 11 ILE HD12 . 31093 1 120 . 1 . 1 11 11 ILE HD13 H 1 0.890 0.006 . 1 . . 159 . A 11 ILE HD13 . 31093 1 121 . 1 . 1 11 11 ILE CA C 13 65.315 . . 1 . . 114 . A 11 ILE CA . 31093 1 122 . 1 . 1 11 11 ILE CB C 13 38.488 . . 1 . . 116 . A 11 ILE CB . 31093 1 123 . 1 . 1 11 11 ILE CG1 C 13 28.517 . . 1 . . 160 . A 11 ILE CG1 . 31093 1 124 . 1 . 1 11 11 ILE CG2 C 13 17.487 . . 1 . . 118 . A 11 ILE CG2 . 31093 1 125 . 1 . 1 11 11 ILE CD1 C 13 13.693 . . 1 . . 158 . A 11 ILE CD1 . 31093 1 126 . 1 . 1 12 12 ILE H H 1 8.273 0.006 . 1 . . 123 . A 12 ILE H . 31093 1 127 . 1 . 1 12 12 ILE HA H 1 3.669 0.0 . 1 . . 122 . A 12 ILE HA . 31093 1 128 . 1 . 1 12 12 ILE HB H 1 1.967 0.005 . 1 . . 141 . A 12 ILE HB . 31093 1 129 . 1 . 1 12 12 ILE HG12 H 1 1.164 0.002 . 2 . . 143 . A 12 ILE HG12 . 31093 1 130 . 1 . 1 12 12 ILE HG13 H 1 1.164 0.002 . 2 . . 144 . A 12 ILE HG13 . 31093 1 131 . 1 . 1 12 12 ILE HG21 H 1 0.935 0.006 . 1 . . 146 . A 12 ILE HG21 . 31093 1 132 . 1 . 1 12 12 ILE HG22 H 1 0.935 0.006 . 1 . . 146 . A 12 ILE HG22 . 31093 1 133 . 1 . 1 12 12 ILE HG23 H 1 0.935 0.006 . 1 . . 146 . A 12 ILE HG23 . 31093 1 134 . 1 . 1 12 12 ILE HD11 H 1 0.829 0.0 . 1 . . 148 . A 12 ILE HD11 . 31093 1 135 . 1 . 1 12 12 ILE HD12 H 1 0.829 0.0 . 1 . . 148 . A 12 ILE HD12 . 31093 1 136 . 1 . 1 12 12 ILE HD13 H 1 0.829 0.0 . 1 . . 148 . A 12 ILE HD13 . 31093 1 137 . 1 . 1 12 12 ILE CA C 13 65.181 . . 1 . . 121 . A 12 ILE CA . 31093 1 138 . 1 . 1 12 12 ILE CB C 13 37.387 . . 1 . . 140 . A 12 ILE CB . 31093 1 139 . 1 . 1 12 12 ILE CG1 C 13 27.125 . . 1 . . 142 . A 12 ILE CG1 . 31093 1 140 . 1 . 1 12 12 ILE CG2 C 13 17.552 . . 1 . . 145 . A 12 ILE CG2 . 31093 1 141 . 1 . 1 12 12 ILE CD1 C 13 13.092 . . 1 . . 147 . A 12 ILE CD1 . 31093 1 142 . 1 . 1 13 13 LYS H H 1 8.316 0.007 . 1 . . 129 . A 13 LYS H . 31093 1 143 . 1 . 1 13 13 LYS HA H 1 3.929 0.0 . 1 . . 128 . A 13 LYS HA . 31093 1 144 . 1 . 1 13 13 LYS HB2 H 1 1.997 0.009 . 2 . . 194 . A 13 LYS HB2 . 31093 1 145 . 1 . 1 13 13 LYS HB3 H 1 1.998 0.007 . 2 . . 195 . A 13 LYS HB3 . 31093 1 146 . 1 . 1 13 13 LYS HG2 H 1 1.486 0.0 . 2 . . 187 . A 13 LYS HG2 . 31093 1 147 . 1 . 1 13 13 LYS HG3 H 1 1.486 0.0 . 2 . . 189 . A 13 LYS HG3 . 31093 1 148 . 1 . 1 13 13 LYS HD2 H 1 1.656 0.002 . 2 . . 191 . A 13 LYS HD2 . 31093 1 149 . 1 . 1 13 13 LYS HD3 H 1 1.656 0.002 . 2 . . 192 . A 13 LYS HD3 . 31093 1 150 . 1 . 1 13 13 LYS CA C 13 59.829 . . 1 . . 127 . A 13 LYS CA . 31093 1 151 . 1 . 1 13 13 LYS CB C 13 32.007 . . 1 . . 193 . A 13 LYS CB . 31093 1 152 . 1 . 1 13 13 LYS CG C 13 25.045 . . 1 . . 186 . A 13 LYS CG . 31093 1 153 . 1 . 1 13 13 LYS CD C 13 28.935 . . 1 . . 190 . A 13 LYS CD . 31093 1 154 . 1 . 1 14 14 ASN H H 1 8.337 0.009 . 1 . . 69 . A 14 ASN H . 31093 1 155 . 1 . 1 14 14 ASN HA H 1 4.479 0.001 . 1 . . 68 . A 14 ASN HA . 31093 1 156 . 1 . 1 14 14 ASN HB2 H 1 3.049 0.0 . 2 . . 66 . A 14 ASN HB2 . 31093 1 157 . 1 . 1 14 14 ASN HB3 H 1 2.832 0.0 . 2 . . 67 . A 14 ASN HB3 . 31093 1 158 . 1 . 1 14 14 ASN HD21 H 1 7.614 0.0 . 1 . . 200 . A 14 ASN HD21 . 31093 1 159 . 1 . 1 14 14 ASN HD22 H 1 6.839 0.0 . 1 . . 201 . A 14 ASN HD22 . 31093 1 160 . 1 . 1 14 14 ASN CA C 13 55.824 . . 1 . . 70 . A 14 ASN CA . 31093 1 161 . 1 . 1 14 14 ASN CB C 13 37.658 0.0 . 1 . . 65 . A 14 ASN CB . 31093 1 162 . 1 . 1 15 15 ALA H H 1 8.303 0.012 . 1 . . 2 . A 15 ALA H . 31093 1 163 . 1 . 1 15 15 ALA HA H 1 4.127 0.003 . 1 . . 1 . A 15 ALA HA . 31093 1 164 . 1 . 1 15 15 ALA HB1 H 1 1.557 0.004 . 1 . . 4 . A 15 ALA HB1 . 31093 1 165 . 1 . 1 15 15 ALA HB2 H 1 1.557 0.004 . 1 . . 4 . A 15 ALA HB2 . 31093 1 166 . 1 . 1 15 15 ALA HB3 H 1 1.557 0.004 . 1 . . 4 . A 15 ALA HB3 . 31093 1 167 . 1 . 1 15 15 ALA CA C 13 55.433 . . 1 . . 3 . A 15 ALA CA . 31093 1 168 . 1 . 1 15 15 ALA CB C 13 18.269 . . 1 . . 5 . A 15 ALA CB . 31093 1 169 . 1 . 1 16 16 LEU H H 1 8.563 0.0 . 1 . . 80 . A 16 LEU H . 31093 1 170 . 1 . 1 16 16 LEU HA H 1 4.031 0.003 . 1 . . 72 . A 16 LEU HA . 31093 1 171 . 1 . 1 16 16 LEU HB2 H 1 1.660 0.001 . 2 . . 74 . A 16 LEU HB2 . 31093 1 172 . 1 . 1 16 16 LEU HB3 H 1 1.659 0.004 . 2 . . 75 . A 16 LEU HB3 . 31093 1 173 . 1 . 1 16 16 LEU HG H 1 1.871 0.0 . 1 . . 77 . A 16 LEU HG . 31093 1 174 . 1 . 1 16 16 LEU HD11 H 1 0.910 0.0 . 1 . . 79 . A 16 LEU HD11 . 31093 1 175 . 1 . 1 16 16 LEU HD12 H 1 0.910 0.0 . 1 . . 79 . A 16 LEU HD12 . 31093 1 176 . 1 . 1 16 16 LEU HD13 H 1 0.910 0.0 . 1 . . 79 . A 16 LEU HD13 . 31093 1 177 . 1 . 1 16 16 LEU CA C 13 57.901 . . 1 . . 71 . A 16 LEU CA . 31093 1 178 . 1 . 1 16 16 LEU CB C 13 41.468 . . 1 . . 73 . A 16 LEU CB . 31093 1 179 . 1 . 1 16 16 LEU CG C 13 27.032 . . 1 . . 76 . A 16 LEU CG . 31093 1 180 . 1 . 1 16 16 LEU CD1 C 13 25.172 . . 1 . . 78 . A 16 LEU CD1 . 31093 1 181 . 1 . 1 17 17 ASP H H 1 8.282 0.004 . 1 . . 61 . A 17 ASP H . 31093 1 182 . 1 . 1 17 17 ASP HA H 1 4.483 0.001 . 1 . . 60 . A 17 ASP HA . 31093 1 183 . 1 . 1 17 17 ASP HB2 H 1 2.886 0.0 . 2 . . 62 . A 17 ASP HB2 . 31093 1 184 . 1 . 1 17 17 ASP HB3 H 1 3.049 0.006 . 2 . . 63 . A 17 ASP HB3 . 31093 1 185 . 1 . 1 17 17 ASP CA C 13 55.772 . . 1 . . 59 . A 17 ASP CA . 31093 1 186 . 1 . 1 17 17 ASP CB C 13 38.556 . . 1 . . 64 . A 17 ASP CB . 31093 1 187 . 1 . 1 18 18 LYS H H 1 7.800 0.001 . 1 . . 101 . A 18 LYS H . 31093 1 188 . 1 . 1 18 18 LYS HA H 1 4.137 0.0 . 1 . . 91 . A 18 LYS HA . 31093 1 189 . 1 . 1 18 18 LYS HB2 H 1 2.042 0.005 . 2 . . 93 . A 18 LYS HB2 . 31093 1 190 . 1 . 1 18 18 LYS HB3 H 1 2.043 0.003 . 2 . . 94 . A 18 LYS HB3 . 31093 1 191 . 1 . 1 18 18 LYS HG2 H 1 1.622 0.0 . 2 . . 99 . A 18 LYS HG2 . 31093 1 192 . 1 . 1 18 18 LYS HG3 H 1 1.536 0.0 . 2 . . 100 . A 18 LYS HG3 . 31093 1 193 . 1 . 1 18 18 LYS HD2 H 1 1.739 0.0 . 2 . . 96 . A 18 LYS HD2 . 31093 1 194 . 1 . 1 18 18 LYS HD3 H 1 1.739 0.0 . 2 . . 97 . A 18 LYS HD3 . 31093 1 195 . 1 . 1 18 18 LYS HE2 H 1 3.017 0.0 . 2 . . 165 . A 18 LYS HE2 . 31093 1 196 . 1 . 1 18 18 LYS HE3 H 1 3.017 0.0 . 2 . . 166 . A 18 LYS HE3 . 31093 1 197 . 1 . 1 18 18 LYS CA C 13 58.521 . . 1 . . 90 . A 18 LYS CA . 31093 1 198 . 1 . 1 18 18 LYS CB C 13 32.567 . . 1 . . 92 . A 18 LYS CB . 31093 1 199 . 1 . 1 18 18 LYS CG C 13 25.084 . . 1 . . 98 . A 18 LYS CG . 31093 1 200 . 1 . 1 18 18 LYS CD C 13 29.209 . . 1 . . 95 . A 18 LYS CD . 31093 1 201 . 1 . 1 18 18 LYS CE C 13 42.169 . . 1 . . 167 . A 18 LYS CE . 31093 1 202 . 1 . 1 19 19 ILE H H 1 7.878 0.0 . 1 . . 43 . A 19 ILE H . 31093 1 203 . 1 . 1 19 19 ILE HA H 1 3.974 0.0 . 1 . . 42 . A 19 ILE HA . 31093 1 204 . 1 . 1 19 19 ILE HB H 1 2.004 0.002 . 1 . . 44 . A 19 ILE HB . 31093 1 205 . 1 . 1 19 19 ILE HG12 H 1 1.280 0.005 . 2 . . 45 . A 19 ILE HG12 . 31093 1 206 . 1 . 1 19 19 ILE HG13 H 1 1.280 0.004 . 2 . . 46 . A 19 ILE HG13 . 31093 1 207 . 1 . 1 19 19 ILE HG21 H 1 0.987 0.003 . 1 . . 47 . A 19 ILE HG21 . 31093 1 208 . 1 . 1 19 19 ILE HG22 H 1 0.987 0.003 . 1 . . 47 . A 19 ILE HG22 . 31093 1 209 . 1 . 1 19 19 ILE HG23 H 1 0.987 0.003 . 1 . . 47 . A 19 ILE HG23 . 31093 1 210 . 1 . 1 19 19 ILE HD11 H 1 0.904 0.004 . 1 . . 164 . A 19 ILE HD11 . 31093 1 211 . 1 . 1 19 19 ILE HD12 H 1 0.904 0.004 . 1 . . 164 . A 19 ILE HD12 . 31093 1 212 . 1 . 1 19 19 ILE HD13 H 1 0.904 0.004 . 1 . . 164 . A 19 ILE HD13 . 31093 1 213 . 1 . 1 19 19 ILE CA C 13 63.498 . . 1 . . 51 . A 19 ILE CA . 31093 1 214 . 1 . 1 19 19 ILE CB C 13 39.148 . . 1 . . 50 . A 19 ILE CB . 31093 1 215 . 1 . 1 19 19 ILE CG1 C 13 26.826 . . 1 . . 49 . A 19 ILE CG1 . 31093 1 216 . 1 . 1 19 19 ILE CG2 C 13 17.479 . . 1 . . 48 . A 19 ILE CG2 . 31093 1 217 . 1 . 1 19 19 ILE CD1 C 13 13.688 . . 1 . . 163 . A 19 ILE CD1 . 31093 1 218 . 1 . 1 20 20 GLN H H 1 8.110 0.004 . 1 . . 7 . A 20 GLN H . 31093 1 219 . 1 . 1 20 20 GLN HA H 1 4.213 0.0 . 1 . . 6 . A 20 GLN HA . 31093 1 220 . 1 . 1 20 20 GLN HB2 H 1 2.113 0.0 . 2 . . 8 . A 20 GLN HB2 . 31093 1 221 . 1 . 1 20 20 GLN HB3 H 1 2.113 0.0 . 2 . . 9 . A 20 GLN HB3 . 31093 1 222 . 1 . 1 20 20 GLN HG2 H 1 2.383 0.0 . 2 . . 10 . A 20 GLN HG2 . 31093 1 223 . 1 . 1 20 20 GLN HG3 H 1 2.526 0.0 . 2 . . 11 . A 20 GLN HG3 . 31093 1 224 . 1 . 1 20 20 GLN HE21 H 1 7.233 0.0 . 1 . . 198 . A 20 GLN HE21 . 31093 1 225 . 1 . 1 20 20 GLN HE22 H 1 6.744 0.0 . 1 . . 199 . A 20 GLN HE22 . 31093 1 226 . 1 . 1 20 20 GLN CA C 13 56.721 . . 1 . . 14 . A 20 GLN CA . 31093 1 227 . 1 . 1 20 20 GLN CB C 13 29.574 . . 1 . . 12 . A 20 GLN CB . 31093 1 228 . 1 . 1 20 20 GLN CG C 13 34.479 0.0 . 1 . . 13 . A 20 GLN CG . 31093 1 229 . 1 . 1 21 21 NH2 HN1 H 1 7.165 0.0 . 1 . . 197 . A 21 NH2 HN1 . 31093 1 230 . 1 . 1 21 21 NH2 HN2 H 1 7.094 0.0 . 1 . . 196 . A 21 NH2 HN2 . 31093 1 stop_ save_