################################### # 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 25570 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' 1 $sample_1 isotropic 25570 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25570 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25570 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25570 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 HIS HA H 1 4.261 0.01 . 1 . . . A 1 HIS HA . 25570 1 2 . 1 1 1 1 HIS HB2 H 1 3.246 0.005 . 1 . . . A 1 HIS HB2 . 25570 1 3 . 1 1 1 1 HIS HB3 H 1 3.246 0.005 . 1 . . . A 1 HIS HB3 . 25570 1 4 . 1 1 1 1 HIS HD2 H 1 7.368 0.01 . 1 . . . A 1 HIS HD2 . 25570 1 5 . 1 1 1 1 HIS HE1 H 1 8.618 0.01 . 1 . . . A 1 HIS HE1 . 25570 1 6 . 1 1 1 1 HIS CA C 13 55.309 0.1 . 1 . . . A 1 HIS CA . 25570 1 7 . 1 1 1 1 HIS CB C 13 29.192 0.1 . 1 . . . A 1 HIS CB . 25570 1 8 . 1 1 1 1 HIS CD2 C 13 122.325 0.1 . 1 . . . A 1 HIS CD2 . 25570 1 9 . 1 1 1 1 HIS CE1 C 13 138.095 0.1 . 1 . . . A 1 HIS CE1 . 25570 1 10 . 1 1 2 2 SER H H 1 8.406 0.001 . 1 . . . A 2 SER H . 25570 1 11 . 1 1 2 2 SER HA H 1 4.552 0.001 . 1 . . . A 2 SER HA . 25570 1 12 . 1 1 2 2 SER HB2 H 1 3.706 0.01 . 2 . . . A 2 SER HB2 . 25570 1 13 . 1 1 2 2 SER HB3 H 1 3.672 0.01 . 2 . . . A 2 SER HB3 . 25570 1 14 . 1 1 2 2 SER CA C 13 58.308 0.1 . 1 . . . A 2 SER CA . 25570 1 15 . 1 1 2 2 SER CB C 13 64.680 0.008 . 1 . . . A 2 SER CB . 25570 1 16 . 1 1 2 2 SER N N 15 118.292 0.1 . 1 . . . A 2 SER N . 25570 1 17 . 1 1 3 3 VAL H H 1 8.049 0.003 . 1 . . . A 3 VAL H . 25570 1 18 . 1 1 3 3 VAL HA H 1 4.171 0.001 . 1 . . . A 3 VAL HA . 25570 1 19 . 1 1 3 3 VAL HB H 1 2.037 0.002 . 1 . . . A 3 VAL HB . 25570 1 20 . 1 1 3 3 VAL HG11 H 1 0.790 0.01 . 1 . . . A 3 VAL HG11 . 25570 1 21 . 1 1 3 3 VAL HG12 H 1 0.790 0.01 . 1 . . . A 3 VAL HG12 . 25570 1 22 . 1 1 3 3 VAL HG13 H 1 0.790 0.01 . 1 . . . A 3 VAL HG13 . 25570 1 23 . 1 1 3 3 VAL HG21 H 1 0.766 0.01 . 1 . . . A 3 VAL HG21 . 25570 1 24 . 1 1 3 3 VAL HG22 H 1 0.766 0.01 . 1 . . . A 3 VAL HG22 . 25570 1 25 . 1 1 3 3 VAL HG23 H 1 0.766 0.01 . 1 . . . A 3 VAL HG23 . 25570 1 26 . 1 1 3 3 VAL CA C 13 62.309 0.1 . 1 . . . A 3 VAL CA . 25570 1 27 . 1 1 3 3 VAL CB C 13 33.033 0.1 . 1 . . . A 3 VAL CB . 25570 1 28 . 1 1 3 3 VAL CG1 C 13 21.744 0.1 . 2 . . . A 3 VAL CG1 . 25570 1 29 . 1 1 3 3 VAL CG2 C 13 20.639 0.1 . 2 . . . A 3 VAL CG2 . 25570 1 30 . 1 1 3 3 VAL N N 15 120.313 0.1 . 1 . . . A 3 VAL N . 25570 1 31 . 1 1 4 4 SER H H 1 8.172 0.001 . 1 . . . A 4 SER H . 25570 1 32 . 1 1 4 4 SER HA H 1 4.228 0.002 . 1 . . . A 4 SER HA . 25570 1 33 . 1 1 4 4 SER HB2 H 1 3.742 0.001 . 2 . . . A 4 SER HB2 . 25570 1 34 . 1 1 4 4 SER HB3 H 1 3.671 0.01 . 2 . . . A 4 SER HB3 . 25570 1 35 . 1 1 4 4 SER CA C 13 59.230 0.1 . 1 . . . A 4 SER CA . 25570 1 36 . 1 1 4 4 SER CB C 13 64.237 0.007 . 1 . . . A 4 SER CB . 25570 1 37 . 1 1 4 4 SER N N 15 118.475 0.1 . 1 . . . A 4 SER N . 25570 1 38 . 1 1 5 5 HIS H H 1 8.074 0.003 . 1 . . . A 5 HIS H . 25570 1 39 . 1 1 5 5 HIS HA H 1 4.595 0.001 . 1 . . . A 5 HIS HA . 25570 1 40 . 1 1 5 5 HIS HB2 H 1 3.213 0.001 . 2 . . . A 5 HIS HB2 . 25570 1 41 . 1 1 5 5 HIS HB3 H 1 3.037 0.001 . 2 . . . A 5 HIS HB3 . 25570 1 42 . 1 1 5 5 HIS HD2 H 1 7.177 0.01 . 1 . . . A 5 HIS HD2 . 25570 1 43 . 1 1 5 5 HIS HE1 H 1 8.410 0.01 . 1 . . . A 5 HIS HE1 . 25570 1 44 . 1 1 5 5 HIS CA C 13 55.502 0.1 . 1 . . . A 5 HIS CA . 25570 1 45 . 1 1 5 5 HIS CB C 13 28.866 0.003 . 1 . . . A 5 HIS CB . 25570 1 46 . 1 1 5 5 HIS CD2 C 13 120.751 0.1 . 1 . . . A 5 HIS CD2 . 25570 1 47 . 1 1 5 5 HIS CE1 C 13 136.729 0.1 . 1 . . . A 5 HIS CE1 . 25570 1 48 . 1 1 5 5 HIS N N 15 119.435 0.1 . 1 . . . A 5 HIS N . 25570 1 49 . 1 1 6 6 ALA H H 1 8.141 0.004 . 1 . . . A 6 ALA H . 25570 1 50 . 1 1 6 6 ALA HA H 1 4.250 0.001 . 1 . . . A 6 ALA HA . 25570 1 51 . 1 1 6 6 ALA HB1 H 1 1.232 0.002 . 1 . . . A 6 ALA HB1 . 25570 1 52 . 1 1 6 6 ALA HB2 H 1 1.232 0.002 . 1 . . . A 6 ALA HB2 . 25570 1 53 . 1 1 6 6 ALA HB3 H 1 1.232 0.002 . 1 . . . A 6 ALA HB3 . 25570 1 54 . 1 1 6 6 ALA CA C 13 53.201 0.1 . 1 . . . A 6 ALA CA . 25570 1 55 . 1 1 6 6 ALA CB C 13 19.496 0.1 . 1 . . . A 6 ALA CB . 25570 1 56 . 1 1 6 6 ALA N N 15 123.886 0.1 . 1 . . . A 6 ALA N . 25570 1 57 . 1 1 7 7 ARG H H 1 8.005 0.005 . 1 . . . A 7 ARG H . 25570 1 58 . 1 1 7 7 ARG HA H 1 4.299 0.002 . 1 . . . A 7 ARG HA . 25570 1 59 . 1 1 7 7 ARG HB2 H 1 1.816 0.002 . 2 . . . A 7 ARG HB2 . 25570 1 60 . 1 1 7 7 ARG HB3 H 1 1.692 0.01 . 2 . . . A 7 ARG HB3 . 25570 1 61 . 1 1 7 7 ARG HD2 H 1 3.051 0.01 . 1 . . . A 7 ARG HD2 . 25570 1 62 . 1 1 7 7 ARG HD3 H 1 3.051 0.01 . 1 . . . A 7 ARG HD3 . 25570 1 63 . 1 1 7 7 ARG HE H 1 6.960 0.01 . 1 . . . A 7 ARG HE . 25570 1 64 . 1 1 7 7 ARG CA C 13 55.179 0.1 . 1 . . . A 7 ARG CA . 25570 1 65 . 1 1 7 7 ARG CB C 13 31.075 0.012 . 1 . . . A 7 ARG CB . 25570 1 66 . 1 1 7 7 ARG CD C 13 43.855 0.1 . 1 . . . A 7 ARG CD . 25570 1 67 . 1 1 7 7 ARG N N 15 115.319 0.1 . 1 . . . A 7 ARG N . 25570 1 68 . 1 1 8 8 PRO HA H 1 4.271 0.001 . 1 . . . A 8 PRO HA . 25570 1 69 . 1 1 8 8 PRO HB2 H 1 2.139 0.01 . 2 . . . A 8 PRO HB2 . 25570 1 70 . 1 1 8 8 PRO HB3 H 1 1.729 0.01 . 2 . . . A 8 PRO HB3 . 25570 1 71 . 1 1 8 8 PRO HG2 H 1 1.900 0.01 . 1 . . . A 8 PRO HG2 . 25570 1 72 . 1 1 8 8 PRO HG3 H 1 1.900 0.01 . 1 . . . A 8 PRO HG3 . 25570 1 73 . 1 1 8 8 PRO HD2 H 1 3.470 0.010 . 1 . . . A 8 PRO HD2 . 25570 1 74 . 1 1 8 8 PRO HD3 H 1 3.470 0.010 . 1 . . . A 8 PRO HD3 . 25570 1 75 . 1 1 8 8 PRO CA C 13 64.761 0.1 . 1 . . . A 8 PRO CA . 25570 1 76 . 1 1 8 8 PRO CB C 13 31.878 0.037 . 1 . . . A 8 PRO CB . 25570 1 77 . 1 1 8 8 PRO CG C 13 27.984 0.1 . 1 . . . A 8 PRO CG . 25570 1 78 . 1 1 8 8 PRO CD C 13 51.183 0.1 . 1 . . . A 8 PRO CD . 25570 1 79 . 1 1 9 9 ARG H H 1 8.418 0.003 . 1 . . . A 9 ARG H . 25570 1 80 . 1 1 9 9 ARG HA H 1 3.978 0.001 . 1 . . . A 9 ARG HA . 25570 1 81 . 1 1 9 9 ARG HB2 H 1 1.913 0.008 . 2 . . . A 9 ARG HB2 . 25570 1 82 . 1 1 9 9 ARG HB3 H 1 1.805 0.001 . 2 . . . A 9 ARG HB3 . 25570 1 83 . 1 1 9 9 ARG HG2 H 1 1.706 0.01 . 2 . . . A 9 ARG HG2 . 25570 1 84 . 1 1 9 9 ARG HG3 H 1 1.530 0.01 . 2 . . . A 9 ARG HG3 . 25570 1 85 . 1 1 9 9 ARG HD2 H 1 3.123 0.01 . 1 . . . A 9 ARG HD2 . 25570 1 86 . 1 1 9 9 ARG HD3 H 1 3.123 0.01 . 1 . . . A 9 ARG HD3 . 25570 1 87 . 1 1 9 9 ARG HE H 1 7.010 0.01 . 1 . . . A 9 ARG HE . 25570 1 88 . 1 1 9 9 ARG CA C 13 60.525 0.1 . 1 . . . A 9 ARG CA . 25570 1 89 . 1 1 9 9 ARG CB C 13 30.217 0.1 . 1 . . . A 9 ARG CB . 25570 1 90 . 1 1 9 9 ARG CD C 13 44.339 0.1 . 1 . . . A 9 ARG CD . 25570 1 91 . 1 1 10 10 TRP H H 1 7.449 0.004 . 1 . . . A 10 TRP H . 25570 1 92 . 1 1 10 10 TRP HA H 1 4.275 0.002 . 1 . . . A 10 TRP HA . 25570 1 93 . 1 1 10 10 TRP HB2 H 1 3.301 0.061 . 2 . . . A 10 TRP HB2 . 25570 1 94 . 1 1 10 10 TRP HE3 H 1 7.218 0.01 . 1 . . . A 10 TRP HE3 . 25570 1 95 . 1 1 10 10 TRP HZ2 H 1 7.369 0.01 . 1 . . . A 10 TRP HZ2 . 25570 1 96 . 1 1 10 10 TRP HZ3 H 1 6.853 0.01 . 1 . . . A 10 TRP HZ3 . 25570 1 97 . 1 1 10 10 TRP HH2 H 1 6.982 0.01 . 1 . . . A 10 TRP HH2 . 25570 1 98 . 1 1 10 10 TRP CA C 13 59.269 0.1 . 1 . . . A 10 TRP CA . 25570 1 99 . 1 1 10 10 TRP CE3 C 13 121.292 0.1 . 1 . . . A 10 TRP CE3 . 25570 1 100 . 1 1 10 10 TRP CZ2 C 13 115.019 0.1 . 1 . . . A 10 TRP CZ2 . 25570 1 101 . 1 1 10 10 TRP CZ3 C 13 121.554 0.1 . 1 . . . A 10 TRP CZ3 . 25570 1 102 . 1 1 10 10 TRP CH2 C 13 124.534 0.1 . 1 . . . A 10 TRP CH2 . 25570 1 103 . 1 1 10 10 TRP N N 15 112.718 0.1 . 1 . . . A 10 TRP N . 25570 1 104 . 1 1 11 11 PHE HB2 H 1 2.842 0.01 . 2 . . . A 11 PHE HB2 . 25570 1 105 . 1 1 11 11 PHE HB3 H 1 2.795 0.01 . 2 . . . A 11 PHE HB3 . 25570 1 106 . 1 1 11 11 PHE CB C 13 38.444 0.1 . 1 . . . A 11 PHE CB . 25570 1 107 . 1 1 12 12 TRP HA H 1 4.269 0.002 . 1 . . . A 12 TRP HA . 25570 1 108 . 1 1 12 12 TRP HB2 H 1 3.160 0.001 . 2 . . . A 12 TRP HB2 . 25570 1 109 . 1 1 12 12 TRP HB3 H 1 2.936 0.001 . 2 . . . A 12 TRP HB3 . 25570 1 110 . 1 1 12 12 TRP HE3 H 1 7.343 0.01 . 1 . . . A 12 TRP HE3 . 25570 1 111 . 1 1 12 12 TRP HZ2 H 1 7.427 0.01 . 1 . . . A 12 TRP HZ2 . 25570 1 112 . 1 1 12 12 TRP HZ3 H 1 6.805 0.01 . 1 . . . A 12 TRP HZ3 . 25570 1 113 . 1 1 12 12 TRP HH2 H 1 7.054 0.01 . 1 . . . A 12 TRP HH2 . 25570 1 114 . 1 1 12 12 TRP CE3 C 13 121.184 0.1 . 1 . . . A 12 TRP CE3 . 25570 1 115 . 1 1 12 12 TRP CZ2 C 13 115.344 0.1 . 1 . . . A 12 TRP CZ2 . 25570 1 116 . 1 1 12 12 TRP CZ3 C 13 121.633 0.1 . 1 . . . A 12 TRP CZ3 . 25570 1 117 . 1 1 12 12 TRP CH2 C 13 124.740 0.1 . 1 . . . A 12 TRP CH2 . 25570 1 118 . 1 1 13 13 PHE H H 1 7.954 0.027 . 1 . . . A 13 PHE H . 25570 1 119 . 1 1 13 13 PHE HA H 1 4.205 0.003 . 1 . . . A 13 PHE HA . 25570 1 120 . 1 1 13 13 PHE HB2 H 1 3.045 0.002 . 1 . . . A 13 PHE HB2 . 25570 1 121 . 1 1 13 13 PHE HB3 H 1 3.045 0.002 . 1 . . . A 13 PHE HB3 . 25570 1 122 . 1 1 13 13 PHE HD1 H 1 7.065 0.01 . 1 . . . A 13 PHE HD1 . 25570 1 123 . 1 1 13 13 PHE HD2 H 1 7.065 0.01 . 1 . . . A 13 PHE HD2 . 25570 1 124 . 1 1 13 13 PHE CA C 13 61.211 0.1 . 1 . . . A 13 PHE CA . 25570 1 125 . 1 1 13 13 PHE CB C 13 39.699 0.1 . 1 . . . A 13 PHE CB . 25570 1 126 . 1 1 13 13 PHE CD1 C 13 131.359 0.1 . 1 . . . A 13 PHE CD1 . 25570 1 127 . 1 1 13 13 PHE CD2 C 13 131.359 0.1 . 1 . . . A 13 PHE CD2 . 25570 1 128 . 1 1 13 13 PHE N N 15 121.217 0.1 . 1 . . . A 13 PHE N . 25570 1 129 . 1 1 14 14 SER H H 1 7.990 0.020 . 1 . . . A 14 SER H . 25570 1 130 . 1 1 14 14 SER HA H 1 3.882 0.005 . 1 . . . A 14 SER HA . 25570 1 131 . 1 1 14 14 SER HB2 H 1 3.692 0.001 . 1 . . . A 14 SER HB2 . 25570 1 132 . 1 1 14 14 SER HB3 H 1 3.692 0.001 . 1 . . . A 14 SER HB3 . 25570 1 133 . 1 1 14 14 SER CA C 13 63.844 0.1 . 1 . . . A 14 SER CA . 25570 1 134 . 1 1 14 14 SER CB C 13 63.332 0.1 . 1 . . . A 14 SER CB . 25570 1 135 . 1 1 14 14 SER N N 15 119.689 0.1 . 1 . . . A 14 SER N . 25570 1 136 . 1 1 15 15 LEU H H 1 7.356 0.002 . 1 . . . A 15 LEU H . 25570 1 137 . 1 1 15 15 LEU HA H 1 3.769 0.003 . 1 . . . A 15 LEU HA . 25570 1 138 . 1 1 15 15 LEU HB2 H 1 1.527 0.003 . 2 . . . A 15 LEU HB2 . 25570 1 139 . 1 1 15 15 LEU HB3 H 1 1.333 0.003 . 2 . . . A 15 LEU HB3 . 25570 1 140 . 1 1 15 15 LEU HG H 1 1.324 0.01 . 1 . . . A 15 LEU HG . 25570 1 141 . 1 1 15 15 LEU HD11 H 1 0.560 0.01 . 1 . . . A 15 LEU HD11 . 25570 1 142 . 1 1 15 15 LEU HD12 H 1 0.560 0.01 . 1 . . . A 15 LEU HD12 . 25570 1 143 . 1 1 15 15 LEU HD13 H 1 0.560 0.01 . 1 . . . A 15 LEU HD13 . 25570 1 144 . 1 1 15 15 LEU HD21 H 1 0.532 0.01 . 1 . . . A 15 LEU HD21 . 25570 1 145 . 1 1 15 15 LEU HD22 H 1 0.532 0.01 . 1 . . . A 15 LEU HD22 . 25570 1 146 . 1 1 15 15 LEU HD23 H 1 0.532 0.01 . 1 . . . A 15 LEU HD23 . 25570 1 147 . 1 1 15 15 LEU CA C 13 58.314 0.1 . 1 . . . A 15 LEU CA . 25570 1 148 . 1 1 15 15 LEU CB C 13 41.922 0.1 . 1 . . . A 15 LEU CB . 25570 1 149 . 1 1 15 15 LEU CG C 13 26.997 0.1 . 1 . . . A 15 LEU CG . 25570 1 150 . 1 1 15 15 LEU CD1 C 13 24.043 0.1 . 2 . . . A 15 LEU CD1 . 25570 1 151 . 1 1 15 15 LEU CD2 C 13 25.807 0.1 . 2 . . . A 15 LEU CD2 . 25570 1 152 . 1 1 15 15 LEU N N 15 120.731 0.1 . 1 . . . A 15 LEU N . 25570 1 153 . 1 1 16 16 LEU H H 1 7.596 0.005 . 1 . . . A 16 LEU H . 25570 1 154 . 1 1 16 16 LEU HA H 1 3.840 0.002 . 1 . . . A 16 LEU HA . 25570 1 155 . 1 1 16 16 LEU HB2 H 1 1.675 0.002 . 2 . . . A 16 LEU HB2 . 25570 1 156 . 1 1 16 16 LEU HB3 H 1 1.602 0.003 . 2 . . . A 16 LEU HB3 . 25570 1 157 . 1 1 16 16 LEU HG H 1 1.612 0.01 . 1 . . . A 16 LEU HG . 25570 1 158 . 1 1 16 16 LEU HD11 H 1 0.766 0.01 . 1 . . . A 16 LEU HD11 . 25570 1 159 . 1 1 16 16 LEU HD12 H 1 0.766 0.01 . 1 . . . A 16 LEU HD12 . 25570 1 160 . 1 1 16 16 LEU HD13 H 1 0.766 0.01 . 1 . . . A 16 LEU HD13 . 25570 1 161 . 1 1 16 16 LEU HD21 H 1 0.726 0.01 . 1 . . . A 16 LEU HD21 . 25570 1 162 . 1 1 16 16 LEU HD22 H 1 0.726 0.01 . 1 . . . A 16 LEU HD22 . 25570 1 163 . 1 1 16 16 LEU HD23 H 1 0.726 0.01 . 1 . . . A 16 LEU HD23 . 25570 1 164 . 1 1 16 16 LEU CA C 13 58.498 0.1 . 1 . . . A 16 LEU CA . 25570 1 165 . 1 1 16 16 LEU CB C 13 41.934 0.012 . 1 . . . A 16 LEU CB . 25570 1 166 . 1 1 16 16 LEU CG C 13 27.491 0.1 . 1 . . . A 16 LEU CG . 25570 1 167 . 1 1 16 16 LEU CD1 C 13 24.778 0.1 . 2 . . . A 16 LEU CD1 . 25570 1 168 . 1 1 16 16 LEU CD2 C 13 25.010 0.1 . 2 . . . A 16 LEU CD2 . 25570 1 169 . 1 1 16 16 LEU N N 15 118.509 0.1 . 1 . . . A 16 LEU N . 25570 1 170 . 1 1 17 17 LEU H H 1 7.707 0.002 . 1 . . . A 17 LEU H . 25570 1 171 . 1 1 17 17 LEU HA H 1 3.752 0.003 . 1 . . . A 17 LEU HA . 25570 1 172 . 1 1 17 17 LEU HB2 H 1 1.572 0.001 . 2 . . . A 17 LEU HB2 . 25570 1 173 . 1 1 17 17 LEU HB3 H 1 1.360 0.003 . 2 . . . A 17 LEU HB3 . 25570 1 174 . 1 1 17 17 LEU HG H 1 1.465 0.004 . 1 . . . A 17 LEU HG . 25570 1 175 . 1 1 17 17 LEU HD11 H 1 0.625 0.01 . 1 . . . A 17 LEU HD11 . 25570 1 176 . 1 1 17 17 LEU HD12 H 1 0.625 0.01 . 1 . . . A 17 LEU HD12 . 25570 1 177 . 1 1 17 17 LEU HD13 H 1 0.625 0.01 . 1 . . . A 17 LEU HD13 . 25570 1 178 . 1 1 17 17 LEU HD21 H 1 0.598 0.01 . 1 . . . A 17 LEU HD21 . 25570 1 179 . 1 1 17 17 LEU HD22 H 1 0.598 0.01 . 1 . . . A 17 LEU HD22 . 25570 1 180 . 1 1 17 17 LEU HD23 H 1 0.598 0.01 . 1 . . . A 17 LEU HD23 . 25570 1 181 . 1 1 17 17 LEU CA C 13 58.432 0.1 . 1 . . . A 17 LEU CA . 25570 1 182 . 1 1 17 17 LEU CB C 13 41.875 0.1 . 1 . . . A 17 LEU CB . 25570 1 183 . 1 1 17 17 LEU CG C 13 27.162 0.1 . 1 . . . A 17 LEU CG . 25570 1 184 . 1 1 17 17 LEU CD1 C 13 25.278 0.1 . 2 . . . A 17 LEU CD1 . 25570 1 185 . 1 1 17 17 LEU CD2 C 13 24.071 0.1 . 2 . . . A 17 LEU CD2 . 25570 1 186 . 1 1 17 17 LEU N N 15 117.930 0.1 . 1 . . . A 17 LEU N . 25570 1 187 . 1 1 18 18 LEU H H 1 7.891 0.001 . 1 . . . A 18 LEU H . 25570 1 188 . 1 1 18 18 LEU HA H 1 3.805 0.005 . 1 . . . A 18 LEU HA . 25570 1 189 . 1 1 18 18 LEU HB2 H 1 1.572 0.005 . 2 . . . A 18 LEU HB2 . 25570 1 190 . 1 1 18 18 LEU HB3 H 1 1.510 0.007 . 2 . . . A 18 LEU HB3 . 25570 1 191 . 1 1 18 18 LEU HG H 1 1.542 0.01 . 1 . . . A 18 LEU HG . 25570 1 192 . 1 1 18 18 LEU HD11 H 1 0.661 0.01 . 1 . . . A 18 LEU HD11 . 25570 1 193 . 1 1 18 18 LEU HD12 H 1 0.661 0.01 . 1 . . . A 18 LEU HD12 . 25570 1 194 . 1 1 18 18 LEU HD13 H 1 0.661 0.01 . 1 . . . A 18 LEU HD13 . 25570 1 195 . 1 1 18 18 LEU HD21 H 1 0.639 0.01 . 1 . . . A 18 LEU HD21 . 25570 1 196 . 1 1 18 18 LEU HD22 H 1 0.639 0.01 . 1 . . . A 18 LEU HD22 . 25570 1 197 . 1 1 18 18 LEU HD23 H 1 0.639 0.01 . 1 . . . A 18 LEU HD23 . 25570 1 198 . 1 1 18 18 LEU CA C 13 58.535 0.1 . 1 . . . A 18 LEU CA . 25570 1 199 . 1 1 18 18 LEU CB C 13 42.110 0.1 . 1 . . . A 18 LEU CB . 25570 1 200 . 1 1 18 18 LEU CG C 13 27.373 0.1 . 1 . . . A 18 LEU CG . 25570 1 201 . 1 1 18 18 LEU CD1 C 13 24.734 0.1 . 2 . . . A 18 LEU CD1 . 25570 1 202 . 1 1 18 18 LEU CD2 C 13 24.734 0.1 . 2 . . . A 18 LEU CD2 . 25570 1 203 . 1 1 18 18 LEU N N 15 118.161 0.1 . 1 . . . A 18 LEU N . 25570 1 204 . 1 1 19 19 ALA H H 1 8.291 0.002 . 1 . . . A 19 ALA H . 25570 1 205 . 1 1 19 19 ALA HA H 1 3.699 0.004 . 1 . . . A 19 ALA HA . 25570 1 206 . 1 1 19 19 ALA HB1 H 1 1.266 0.003 . 1 . . . A 19 ALA HB1 . 25570 1 207 . 1 1 19 19 ALA HB2 H 1 1.266 0.003 . 1 . . . A 19 ALA HB2 . 25570 1 208 . 1 1 19 19 ALA HB3 H 1 1.266 0.003 . 1 . . . A 19 ALA HB3 . 25570 1 209 . 1 1 19 19 ALA CA C 13 55.820 0.1 . 1 . . . A 19 ALA CA . 25570 1 210 . 1 1 19 19 ALA CB C 13 18.112 0.1 . 1 . . . A 19 ALA CB . 25570 1 211 . 1 1 19 19 ALA N N 15 119.879 0.1 . 1 . . . A 19 ALA N . 25570 1 212 . 1 1 20 20 ALA H H 1 8.374 0.004 . 1 . . . A 20 ALA H . 25570 1 213 . 1 1 20 20 ALA HA H 1 3.815 0.001 . 1 . . . A 20 ALA HA . 25570 1 214 . 1 1 20 20 ALA HB1 H 1 1.280 0.002 . 1 . . . A 20 ALA HB1 . 25570 1 215 . 1 1 20 20 ALA HB2 H 1 1.280 0.002 . 1 . . . A 20 ALA HB2 . 25570 1 216 . 1 1 20 20 ALA HB3 H 1 1.280 0.002 . 1 . . . A 20 ALA HB3 . 25570 1 217 . 1 1 20 20 ALA CA C 13 55.525 0.1 . 1 . . . A 20 ALA CA . 25570 1 218 . 1 1 20 20 ALA CB C 13 18.042 0.1 . 1 . . . A 20 ALA CB . 25570 1 219 . 1 1 20 20 ALA N N 15 118.589 0.1 . 1 . . . A 20 ALA N . 25570 1 220 . 1 1 21 21 GLY H H 1 8.510 0.010 . 1 . . . A 21 GLY H . 25570 1 221 . 1 1 21 21 GLY HA2 H 1 3.550 0.004 . 2 . . . A 21 GLY HA2 . 25570 1 222 . 1 1 21 21 GLY HA3 H 1 3.470 0.01 . 2 . . . A 21 GLY HA3 . 25570 1 223 . 1 1 21 21 GLY CA C 13 48.257 0.012 . 1 . . . A 21 GLY CA . 25570 1 224 . 1 1 21 21 GLY N N 15 105.030 0.1 . 1 . . . A 21 GLY N . 25570 1 225 . 1 1 22 22 VAL H H 1 8.465 0.003 . 1 . . . A 22 VAL H . 25570 1 226 . 1 1 22 22 VAL HA H 1 3.471 0.001 . 1 . . . A 22 VAL HA . 25570 1 227 . 1 1 22 22 VAL HB H 1 2.103 0.003 . 1 . . . A 22 VAL HB . 25570 1 228 . 1 1 22 22 VAL HG11 H 1 0.900 0.001 . 1 . . . A 22 VAL HG11 . 25570 1 229 . 1 1 22 22 VAL HG12 H 1 0.900 0.001 . 1 . . . A 22 VAL HG12 . 25570 1 230 . 1 1 22 22 VAL HG13 H 1 0.900 0.001 . 1 . . . A 22 VAL HG13 . 25570 1 231 . 1 1 22 22 VAL HG21 H 1 0.804 0.007 . 1 . . . A 22 VAL HG21 . 25570 1 232 . 1 1 22 22 VAL HG22 H 1 0.804 0.007 . 1 . . . A 22 VAL HG22 . 25570 1 233 . 1 1 22 22 VAL HG23 H 1 0.804 0.007 . 1 . . . A 22 VAL HG23 . 25570 1 234 . 1 1 22 22 VAL CA C 13 67.400 0.1 . 1 . . . A 22 VAL CA . 25570 1 235 . 1 1 22 22 VAL CB C 13 31.779 0.1 . 1 . . . A 22 VAL CB . 25570 1 236 . 1 1 22 22 VAL CG1 C 13 23.666 0.1 . 2 . . . A 22 VAL CG1 . 25570 1 237 . 1 1 22 22 VAL CG2 C 13 22.426 0.1 . 2 . . . A 22 VAL CG2 . 25570 1 238 . 1 1 22 22 VAL N N 15 121.301 0.1 . 1 . . . A 22 VAL N . 25570 1 239 . 1 1 23 23 GLY H H 1 8.571 0.001 . 1 . . . A 23 GLY H . 25570 1 240 . 1 1 23 23 GLY HA2 H 1 3.474 0.003 . 1 . . . A 23 GLY HA2 . 25570 1 241 . 1 1 23 23 GLY HA3 H 1 3.474 0.003 . 1 . . . A 23 GLY HA3 . 25570 1 242 . 1 1 23 23 GLY CA C 13 48.339 0.1 . 1 . . . A 23 GLY CA . 25570 1 243 . 1 1 23 23 GLY N N 15 107.028 0.1 . 1 . . . A 23 GLY N . 25570 1 244 . 1 1 24 24 ILE H H 1 8.535 0.002 . 1 . . . A 24 ILE H . 25570 1 245 . 1 1 24 24 ILE HA H 1 3.554 0.003 . 1 . . . A 24 ILE HA . 25570 1 246 . 1 1 24 24 ILE HB H 1 1.859 0.004 . 1 . . . A 24 ILE HB . 25570 1 247 . 1 1 24 24 ILE HG12 H 1 1.738 0.01 . 2 . . . A 24 ILE HG12 . 25570 1 248 . 1 1 24 24 ILE HG13 H 1 0.992 0.01 . 2 . . . A 24 ILE HG13 . 25570 1 249 . 1 1 24 24 ILE HG21 H 1 0.742 0.01 . 1 . . . A 24 ILE HG21 . 25570 1 250 . 1 1 24 24 ILE HG22 H 1 0.742 0.01 . 1 . . . A 24 ILE HG22 . 25570 1 251 . 1 1 24 24 ILE HG23 H 1 0.742 0.01 . 1 . . . A 24 ILE HG23 . 25570 1 252 . 1 1 24 24 ILE HD11 H 1 0.704 0.01 . 1 . . . A 24 ILE HD11 . 25570 1 253 . 1 1 24 24 ILE HD12 H 1 0.704 0.01 . 1 . . . A 24 ILE HD12 . 25570 1 254 . 1 1 24 24 ILE HD13 H 1 0.704 0.01 . 1 . . . A 24 ILE HD13 . 25570 1 255 . 1 1 24 24 ILE CA C 13 65.057 0.1 . 1 . . . A 24 ILE CA . 25570 1 256 . 1 1 24 24 ILE CB C 13 38.108 0.1 . 1 . . . A 24 ILE CB . 25570 1 257 . 1 1 24 24 ILE CG1 C 13 30.038 0.1 . 1 . . . A 24 ILE CG1 . 25570 1 258 . 1 1 24 24 ILE CG2 C 13 17.963 0.1 . 1 . . . A 24 ILE CG2 . 25570 1 259 . 1 1 24 24 ILE CD1 C 13 13.768 0.1 . 1 . . . A 24 ILE CD1 . 25570 1 260 . 1 1 24 24 ILE N N 15 119.763 0.1 . 1 . . . A 24 ILE N . 25570 1 261 . 1 1 25 25 TYR H H 1 8.074 0.007 . 1 . . . A 25 TYR H . 25570 1 262 . 1 1 25 25 TYR HA H 1 4.169 0.002 . 1 . . . A 25 TYR HA . 25570 1 263 . 1 1 25 25 TYR HB2 H 1 3.136 0.002 . 2 . . . A 25 TYR HB2 . 25570 1 264 . 1 1 25 25 TYR HB3 H 1 2.969 0.002 . 2 . . . A 25 TYR HB3 . 25570 1 265 . 1 1 25 25 TYR HD1 H 1 6.889 0.01 . 1 . . . A 25 TYR HD1 . 25570 1 266 . 1 1 25 25 TYR HD2 H 1 6.889 0.01 . 1 . . . A 25 TYR HD2 . 25570 1 267 . 1 1 25 25 TYR HE1 H 1 6.654 0.01 . 1 . . . A 25 TYR HE1 . 25570 1 268 . 1 1 25 25 TYR HE2 H 1 6.654 0.01 . 1 . . . A 25 TYR HE2 . 25570 1 269 . 1 1 25 25 TYR CA C 13 61.643 0.1 . 1 . . . A 25 TYR CA . 25570 1 270 . 1 1 25 25 TYR CB C 13 39.438 0.1 . 1 . . . A 25 TYR CB . 25570 1 271 . 1 1 25 25 TYR CD1 C 13 133.222 0.1 . 1 . . . A 25 TYR CD1 . 25570 1 272 . 1 1 25 25 TYR CD2 C 13 133.222 0.1 . 1 . . . A 25 TYR CD2 . 25570 1 273 . 1 1 25 25 TYR CE1 C 13 118.457 0.1 . 1 . . . A 25 TYR CE1 . 25570 1 274 . 1 1 25 25 TYR CE2 C 13 118.457 0.1 . 1 . . . A 25 TYR CE2 . 25570 1 275 . 1 1 26 26 LEU H H 1 8.282 0.004 . 1 . . . A 26 LEU H . 25570 1 276 . 1 1 26 26 LEU HA H 1 3.927 0.01 . 1 . . . A 26 LEU HA . 25570 1 277 . 1 1 26 26 LEU HB2 H 1 1.930 0.001 . 2 . . . A 26 LEU HB2 . 25570 1 278 . 1 1 26 26 LEU HB3 H 1 1.833 0.002 . 2 . . . A 26 LEU HB3 . 25570 1 279 . 1 1 26 26 LEU HD11 H 1 0.814 0.01 . 1 . . . A 26 LEU HD11 . 25570 1 280 . 1 1 26 26 LEU HD12 H 1 0.814 0.01 . 1 . . . A 26 LEU HD12 . 25570 1 281 . 1 1 26 26 LEU HD13 H 1 0.814 0.01 . 1 . . . A 26 LEU HD13 . 25570 1 282 . 1 1 26 26 LEU HD21 H 1 0.809 0.01 . 1 . . . A 26 LEU HD21 . 25570 1 283 . 1 1 26 26 LEU HD22 H 1 0.809 0.01 . 1 . . . A 26 LEU HD22 . 25570 1 284 . 1 1 26 26 LEU HD23 H 1 0.809 0.01 . 1 . . . A 26 LEU HD23 . 25570 1 285 . 1 1 26 26 LEU CA C 13 56.683 0.1 . 1 . . . A 26 LEU CA . 25570 1 286 . 1 1 26 26 LEU CD1 C 13 23.129 0.1 . 2 . . . A 26 LEU CD1 . 25570 1 287 . 1 1 26 26 LEU CD2 C 13 24.072 0.1 . 2 . . . A 26 LEU CD2 . 25570 1 288 . 1 1 26 26 LEU N N 15 117.816 0.1 . 1 . . . A 26 LEU N . 25570 1 289 . 1 1 27 27 LEU H H 1 7.948 0.002 . 1 . . . A 27 LEU H . 25570 1 290 . 1 1 27 27 LEU HA H 1 4.171 0.005 . 1 . . . A 27 LEU HA . 25570 1 291 . 1 1 27 27 LEU HB2 H 1 1.800 0.007 . 2 . . . A 27 LEU HB2 . 25570 1 292 . 1 1 27 27 LEU HB3 H 1 1.500 0.001 . 2 . . . A 27 LEU HB3 . 25570 1 293 . 1 1 27 27 LEU HD11 H 1 0.789 0.01 . 1 . . . A 27 LEU HD11 . 25570 1 294 . 1 1 27 27 LEU HD12 H 1 0.789 0.01 . 1 . . . A 27 LEU HD12 . 25570 1 295 . 1 1 27 27 LEU HD13 H 1 0.789 0.01 . 1 . . . A 27 LEU HD13 . 25570 1 296 . 1 1 27 27 LEU HD21 H 1 0.776 0.01 . 1 . . . A 27 LEU HD21 . 25570 1 297 . 1 1 27 27 LEU HD22 H 1 0.776 0.01 . 1 . . . A 27 LEU HD22 . 25570 1 298 . 1 1 27 27 LEU HD23 H 1 0.776 0.01 . 1 . . . A 27 LEU HD23 . 25570 1 299 . 1 1 27 27 LEU CA C 13 55.602 0.1 . 1 . . . A 27 LEU CA . 25570 1 300 . 1 1 27 27 LEU CB C 13 41.068 0.018 . 1 . . . A 27 LEU CB . 25570 1 301 . 1 1 27 27 LEU CD1 C 13 26.847 0.1 . 2 . . . A 27 LEU CD1 . 25570 1 302 . 1 1 27 27 LEU CD2 C 13 26.069 0.1 . 2 . . . A 27 LEU CD2 . 25570 1 303 . 1 1 27 27 LEU N N 15 115.292 0.1 . 1 . . . A 27 LEU N . 25570 1 304 . 1 1 28 28 PRO HA H 1 4.248 0.01 . 1 . . . A 28 PRO HA . 25570 1 305 . 1 1 28 28 PRO HB2 H 1 2.162 0.001 . 2 . . . A 28 PRO HB2 . 25570 1 306 . 1 1 28 28 PRO HB3 H 1 1.700 0.003 . 2 . . . A 28 PRO HB3 . 25570 1 307 . 1 1 28 28 PRO HG2 H 1 1.924 0.01 . 1 . . . A 28 PRO HG2 . 25570 1 308 . 1 1 28 28 PRO HG3 H 1 1.924 0.01 . 1 . . . A 28 PRO HG3 . 25570 1 309 . 1 1 28 28 PRO HD2 H 1 3.713 0.065 . 2 . . . A 28 PRO HD2 . 25570 1 310 . 1 1 28 28 PRO HD3 H 1 3.538 0.030 . 2 . . . A 28 PRO HD3 . 25570 1 311 . 1 1 28 28 PRO CA C 13 64.901 0.1 . 1 . . . A 28 PRO CA . 25570 1 312 . 1 1 28 28 PRO CB C 13 32.167 0.1 . 1 . . . A 28 PRO CB . 25570 1 313 . 1 1 28 28 PRO CG C 13 27.185 0.1 . 1 . . . A 28 PRO CG . 25570 1 314 . 1 1 28 28 PRO CD C 13 51.242 0.012 . 1 . . . A 28 PRO CD . 25570 1 315 . 1 1 29 29 ASN H H 1 7.909 0.001 . 1 . . . A 29 ASN H . 25570 1 316 . 1 1 29 29 ASN HA H 1 4.681 0.006 . 1 . . . A 29 ASN HA . 25570 1 317 . 1 1 29 29 ASN HB2 H 1 2.741 0.001 . 2 . . . A 29 ASN HB2 . 25570 1 318 . 1 1 29 29 ASN HB3 H 1 2.651 0.001 . 2 . . . A 29 ASN HB3 . 25570 1 319 . 1 1 29 29 ASN HD21 H 1 7.411 0.01 . 2 . . . A 29 ASN HD21 . 25570 1 320 . 1 1 29 29 ASN HD22 H 1 6.801 0.01 . 2 . . . A 29 ASN HD22 . 25570 1 321 . 1 1 29 29 ASN CA C 13 53.582 0.1 . 1 . . . A 29 ASN CA . 25570 1 322 . 1 1 29 29 ASN CB C 13 39.534 0.019 . 1 . . . A 29 ASN CB . 25570 1 323 . 1 1 29 29 ASN N N 15 114.088 0.1 . 1 . . . A 29 ASN N . 25570 1 324 . 1 1 29 29 ASN ND2 N 15 114.499 0.004 . 1 . . . A 29 ASN ND2 . 25570 1 325 . 1 1 30 30 ARG H H 1 7.472 0.002 . 1 . . . A 30 ARG H . 25570 1 326 . 1 1 30 30 ARG HA H 1 4.365 0.01 . 1 . . . A 30 ARG HA . 25570 1 327 . 1 1 30 30 ARG HB2 H 1 1.822 0.01 . 2 . . . A 30 ARG HB2 . 25570 1 328 . 1 1 30 30 ARG HB3 H 1 1.675 0.01 . 2 . . . A 30 ARG HB3 . 25570 1 329 . 1 1 30 30 ARG HG2 H 1 1.532 0.01 . 1 . . . A 30 ARG HG2 . 25570 1 330 . 1 1 30 30 ARG HG3 H 1 1.532 0.01 . 1 . . . A 30 ARG HG3 . 25570 1 331 . 1 1 30 30 ARG HD2 H 1 3.099 0.01 . 2 . . . A 30 ARG HD2 . 25570 1 332 . 1 1 30 30 ARG HD3 H 1 2.990 0.01 . 2 . . . A 30 ARG HD3 . 25570 1 333 . 1 1 30 30 ARG HE H 1 6.984 0.01 . 1 . . . A 30 ARG HE . 25570 1 334 . 1 1 30 30 ARG CA C 13 54.893 0.1 . 1 . . . A 30 ARG CA . 25570 1 335 . 1 1 30 30 ARG CB C 13 31.204 0.1 . 1 . . . A 30 ARG CB . 25570 1 336 . 1 1 30 30 ARG CG C 13 27.538 0.1 . 1 . . . A 30 ARG CG . 25570 1 337 . 1 1 30 30 ARG CD C 13 43.671 0.018 . 1 . . . A 30 ARG CD . 25570 1 338 . 1 1 30 30 ARG N N 15 119.042 0.1 . 1 . . . A 30 ARG N . 25570 1 stop_ save_