################################### # 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 30479 _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 $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 NOESY' . . . 30479 1 2 '2D 1H-1H TOCSY' . . . 30479 1 3 '2D 1H-13C HSQC' . . . 30479 1 4 '2D DQF-COSY' . . . 30479 1 5 '2D 1H-15N HSQC' . . . 30479 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.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 GLU HA H 1 4.064 0.000 . . . . . . A 1 GLU HA . 30479 1 2 . 1 1 1 1 GLU HB2 H 1 2.138 0.001 . . . . . . A 1 GLU HB2 . 30479 1 3 . 1 1 1 1 GLU HB3 H 1 2.138 0.001 . . . . . . A 1 GLU HB3 . 30479 1 4 . 1 1 1 1 GLU HG2 H 1 2.453 0.001 . . . . . . A 1 GLU HG2 . 30479 1 5 . 1 1 1 1 GLU HG3 H 1 2.453 0.001 . . . . . . A 1 GLU HG3 . 30479 1 6 . 1 1 1 1 GLU CA C 13 55.021 0.000 . . . . . . A 1 GLU CA . 30479 1 7 . 1 1 1 1 GLU CB C 13 29.137 0.000 . . . . . . A 1 GLU CB . 30479 1 8 . 1 1 1 1 GLU CG C 13 32.977 0.000 . . . . . . A 1 GLU CG . 30479 1 9 . 1 1 2 2 HIS H H 1 9.092 0.000 . . . . . . A 2 HIS H . 30479 1 10 . 1 1 2 2 HIS HA H 1 4.694 0.000 . . . . . . A 2 HIS HA . 30479 1 11 . 1 1 2 2 HIS HB2 H 1 3.243 0.001 . . . . . . A 2 HIS HB2 . 30479 1 12 . 1 1 2 2 HIS HB3 H 1 3.196 0.001 . . . . . . A 2 HIS HB3 . 30479 1 13 . 1 1 2 2 HIS HD2 H 1 7.324 0.001 . . . . . . A 2 HIS HD2 . 30479 1 14 . 1 1 2 2 HIS HE1 H 1 8.614 0.000 . . . . . . A 2 HIS HE1 . 30479 1 15 . 1 1 2 2 HIS CA C 13 51.840 0.000 . . . . . . A 2 HIS CA . 30479 1 16 . 1 1 2 2 HIS CB C 13 28.665 0.005 . . . . . . A 2 HIS CB . 30479 1 17 . 1 1 2 2 HIS N N 15 121.530 0.000 . . . . . . A 2 HIS N . 30479 1 18 . 1 1 3 3 CYS H H 1 8.772 0.001 . . . . . . A 3 CYS H . 30479 1 19 . 1 1 3 3 CYS HA H 1 4.486 0.000 . . . . . . A 3 CYS HA . 30479 1 20 . 1 1 3 3 CYS HB2 H 1 3.051 0.001 . . . . . . A 3 CYS HB2 . 30479 1 21 . 1 1 3 3 CYS HB3 H 1 3.051 0.001 . . . . . . A 3 CYS HB3 . 30479 1 22 . 1 1 3 3 CYS CA C 13 55.723 0.000 . . . . . . A 3 CYS CA . 30479 1 23 . 1 1 3 3 CYS CB C 13 41.850 0.000 . . . . . . A 3 CYS CB . 30479 1 24 . 1 1 3 3 CYS N N 15 123.913 0.000 . . . . . . A 3 CYS N . 30479 1 25 . 1 1 4 4 ALA H H 1 8.043 0.001 . . . . . . A 4 ALA H . 30479 1 26 . 1 1 4 4 ALA HA H 1 4.523 0.000 . . . . . . A 4 ALA HA . 30479 1 27 . 1 1 4 4 ALA HB1 H 1 1.257 0.001 . . . . . . A 4 ALA HB1 . 30479 1 28 . 1 1 4 4 ALA HB2 H 1 1.257 0.001 . . . . . . A 4 ALA HB2 . 30479 1 29 . 1 1 4 4 ALA HB3 H 1 1.257 0.001 . . . . . . A 4 ALA HB3 . 30479 1 30 . 1 1 4 4 ALA CA C 13 52.001 0.000 . . . . . . A 4 ALA CA . 30479 1 31 . 1 1 4 4 ALA CB C 13 21.829 0.000 . . . . . . A 4 ALA CB . 30479 1 32 . 1 1 4 4 ALA N N 15 126.479 0.000 . . . . . . A 4 ALA N . 30479 1 33 . 1 1 5 5 ASP H H 1 8.617 0.000 . . . . . . A 5 ASP H . 30479 1 34 . 1 1 5 5 ASP HA H 1 4.920 0.000 . . . . . . A 5 ASP HA . 30479 1 35 . 1 1 5 5 ASP HB2 H 1 3.130 0.001 . . . . . . A 5 ASP HB2 . 30479 1 36 . 1 1 5 5 ASP HB3 H 1 2.545 0.002 . . . . . . A 5 ASP HB3 . 30479 1 37 . 1 1 5 5 ASP CA C 13 54.386 0.000 . . . . . . A 5 ASP CA . 30479 1 38 . 1 1 5 5 ASP CB C 13 41.033 0.000 . . . . . . A 5 ASP CB . 30479 1 39 . 1 1 5 5 ASP N N 15 121.946 0.000 . . . . . . A 5 ASP N . 30479 1 40 . 1 1 6 6 GLU H H 1 9.426 0.000 . . . . . . A 6 GLU H . 30479 1 41 . 1 1 6 6 GLU HA H 1 4.341 0.000 . . . . . . A 6 GLU HA . 30479 1 42 . 1 1 6 6 GLU HB2 H 1 2.426 0.002 . . . . . . A 6 GLU HB2 . 30479 1 43 . 1 1 6 6 GLU HB3 H 1 2.297 0.001 . . . . . . A 6 GLU HB3 . 30479 1 44 . 1 1 6 6 GLU HG2 H 1 2.606 0.001 . . . . . . A 6 GLU HG2 . 30479 1 45 . 1 1 6 6 GLU HG3 H 1 2.473 0.001 . . . . . . A 6 GLU HG3 . 30479 1 46 . 1 1 6 6 GLU CA C 13 56.296 0.000 . . . . . . A 6 GLU CA . 30479 1 47 . 1 1 6 6 GLU CB C 13 29.163 0.000 . . . . . . A 6 GLU CB . 30479 1 48 . 1 1 6 6 GLU CG C 13 33.693 0.000 . . . . . . A 6 GLU CG . 30479 1 49 . 1 1 6 6 GLU N N 15 124.202 0.000 . . . . . . A 6 GLU N . 30479 1 50 . 1 1 7 7 LYS H H 1 8.677 0.000 . . . . . . A 7 LYS H . 30479 1 51 . 1 1 7 7 LYS HA H 1 4.207 0.000 . . . . . . A 7 LYS HA . 30479 1 52 . 1 1 7 7 LYS HB2 H 1 1.896 0.001 . . . . . . A 7 LYS HB2 . 30479 1 53 . 1 1 7 7 LYS HB3 H 1 1.896 0.001 . . . . . . A 7 LYS HB3 . 30479 1 54 . 1 1 7 7 LYS HG2 H 1 1.561 0.001 . . . . . . A 7 LYS HG2 . 30479 1 55 . 1 1 7 7 LYS HG3 H 1 1.561 0.001 . . . . . . A 7 LYS HG3 . 30479 1 56 . 1 1 7 7 LYS CA C 13 58.434 0.000 . . . . . . A 7 LYS CA . 30479 1 57 . 1 1 7 7 LYS CB C 13 32.476 0.000 . . . . . . A 7 LYS CB . 30479 1 58 . 1 1 7 7 LYS CG C 13 24.891 0.000 . . . . . . A 7 LYS CG . 30479 1 59 . 1 1 7 7 LYS N N 15 125.909 0.000 . . . . . . A 7 LYS N . 30479 1 60 . 1 1 8 8 ASN H H 1 8.758 0.000 . . . . . . A 8 ASN H . 30479 1 61 . 1 1 8 8 ASN HA H 1 4.651 0.003 . . . . . . A 8 ASN HA . 30479 1 62 . 1 1 8 8 ASN HB2 H 1 3.029 0.001 . . . . . . A 8 ASN HB2 . 30479 1 63 . 1 1 8 8 ASN HB3 H 1 2.985 0.001 . . . . . . A 8 ASN HB3 . 30479 1 64 . 1 1 8 8 ASN HD21 H 1 7.723 0.000 . . . . . . A 8 ASN HD21 . 30479 1 65 . 1 1 8 8 ASN HD22 H 1 6.985 0.000 . . . . . . A 8 ASN HD22 . 30479 1 66 . 1 1 8 8 ASN CA C 13 53.774 0.000 . . . . . . A 8 ASN CA . 30479 1 67 . 1 1 8 8 ASN CB C 13 37.621 0.007 . . . . . . A 8 ASN CB . 30479 1 68 . 1 1 8 8 ASN N N 15 115.192 0.000 . . . . . . A 8 ASN N . 30479 1 69 . 1 1 9 9 PHE H H 1 7.780 0.000 . . . . . . A 9 PHE H . 30479 1 70 . 1 1 9 9 PHE HA H 1 4.318 0.000 . . . . . . A 9 PHE HA . 30479 1 71 . 1 1 9 9 PHE HB2 H 1 2.748 0.001 . . . . . . A 9 PHE HB2 . 30479 1 72 . 1 1 9 9 PHE HB3 H 1 3.157 0.001 . . . . . . A 9 PHE HB3 . 30479 1 73 . 1 1 9 9 PHE HD1 H 1 6.801 0.001 . . . . . . A 9 PHE HD1 . 30479 1 74 . 1 1 9 9 PHE HD2 H 1 6.801 0.001 . . . . . . A 9 PHE HD2 . 30479 1 75 . 1 1 9 9 PHE HE1 H 1 7.006 0.001 . . . . . . A 9 PHE HE1 . 30479 1 76 . 1 1 9 9 PHE HE2 H 1 7.006 0.001 . . . . . . A 9 PHE HE2 . 30479 1 77 . 1 1 9 9 PHE CA C 13 58.056 0.000 . . . . . . A 9 PHE CA . 30479 1 78 . 1 1 9 9 PHE CB C 13 41.116 0.000 . . . . . . A 9 PHE CB . 30479 1 79 . 1 1 9 9 PHE N N 15 121.936 0.000 . . . . . . A 9 PHE N . 30479 1 80 . 1 1 10 10 ASP H H 1 8.034 0.000 . . . . . . A 10 ASP H . 30479 1 81 . 1 1 10 10 ASP HA H 1 4.874 0.000 . . . . . . A 10 ASP HA . 30479 1 82 . 1 1 10 10 ASP HB2 H 1 2.800 0.006 . . . . . . A 10 ASP HB2 . 30479 1 83 . 1 1 10 10 ASP HB3 H 1 2.359 0.001 . . . . . . A 10 ASP HB3 . 30479 1 84 . 1 1 10 10 ASP CA C 13 52.039 0.000 . . . . . . A 10 ASP CA . 30479 1 85 . 1 1 10 10 ASP CB C 13 38.071 0.000 . . . . . . A 10 ASP CB . 30479 1 86 . 1 1 11 11 CYS H H 1 8.540 0.000 . . . . . . A 11 CYS H . 30479 1 87 . 1 1 11 11 CYS HA H 1 4.736 0.000 . . . . . . A 11 CYS HA . 30479 1 88 . 1 1 11 11 CYS HB2 H 1 3.034 0.001 . . . . . . A 11 CYS HB2 . 30479 1 89 . 1 1 11 11 CYS HB3 H 1 2.934 0.002 . . . . . . A 11 CYS HB3 . 30479 1 90 . 1 1 11 11 CYS CB C 13 42.171 0.015 . . . . . . A 11 CYS CB . 30479 1 91 . 1 1 11 11 CYS N N 15 125.299 0.000 . . . . . . A 11 CYS N . 30479 1 92 . 1 1 12 12 ARG H H 1 8.691 0.000 . . . . . . A 12 ARG H . 30479 1 93 . 1 1 12 12 ARG HA H 1 3.980 0.000 . . . . . . A 12 ARG HA . 30479 1 94 . 1 1 12 12 ARG HB2 H 1 1.977 0.000 . . . . . . A 12 ARG HB2 . 30479 1 95 . 1 1 12 12 ARG HB3 H 1 1.900 0.000 . . . . . . A 12 ARG HB3 . 30479 1 96 . 1 1 12 12 ARG HG2 H 1 1.827 0.000 . . . . . . A 12 ARG HG2 . 30479 1 97 . 1 1 12 12 ARG HG3 H 1 1.670 0.000 . . . . . . A 12 ARG HG3 . 30479 1 98 . 1 1 12 12 ARG HD2 H 1 3.220 0.000 . . . . . . A 12 ARG HD2 . 30479 1 99 . 1 1 12 12 ARG HD3 H 1 3.220 0.000 . . . . . . A 12 ARG HD3 . 30479 1 100 . 1 1 12 12 ARG HE H 1 7.315 0.000 . . . . . . A 12 ARG HE . 30479 1 101 . 1 1 12 12 ARG CA C 13 59.718 0.000 . . . . . . A 12 ARG CA . 30479 1 102 . 1 1 12 12 ARG CB C 13 29.165 0.009 . . . . . . A 12 ARG CB . 30479 1 103 . 1 1 12 12 ARG CG C 13 27.499 0.006 . . . . . . A 12 ARG CG . 30479 1 104 . 1 1 12 12 ARG N N 15 121.669 0.000 . . . . . . A 12 ARG N . 30479 1 105 . 1 1 13 13 ARG H H 1 7.664 0.000 . . . . . . A 13 ARG H . 30479 1 106 . 1 1 13 13 ARG HA H 1 3.896 0.003 . . . . . . A 13 ARG HA . 30479 1 107 . 1 1 13 13 ARG HB2 H 1 1.750 0.001 . . . . . . A 13 ARG HB2 . 30479 1 108 . 1 1 13 13 ARG HB3 H 1 1.750 0.001 . . . . . . A 13 ARG HB3 . 30479 1 109 . 1 1 13 13 ARG HG2 H 1 1.608 0.001 . . . . . . A 13 ARG HG2 . 30479 1 110 . 1 1 13 13 ARG HG3 H 1 1.500 0.001 . . . . . . A 13 ARG HG3 . 30479 1 111 . 1 1 13 13 ARG HD2 H 1 3.145 0.000 . . . . . . A 13 ARG HD2 . 30479 1 112 . 1 1 13 13 ARG HD3 H 1 3.145 0.000 . . . . . . A 13 ARG HD3 . 30479 1 113 . 1 1 13 13 ARG HE H 1 7.171 0.000 . . . . . . A 13 ARG HE . 30479 1 114 . 1 1 13 13 ARG CA C 13 59.011 0.000 . . . . . . A 13 ARG CA . 30479 1 115 . 1 1 13 13 ARG CB C 13 30.202 0.000 . . . . . . A 13 ARG CB . 30479 1 116 . 1 1 13 13 ARG CG C 13 27.079 0.032 . . . . . . A 13 ARG CG . 30479 1 117 . 1 1 13 13 ARG N N 15 121.192 0.000 . . . . . . A 13 ARG N . 30479 1 118 . 1 1 14 14 SER H H 1 7.383 0.000 . . . . . . A 14 SER H . 30479 1 119 . 1 1 14 14 SER HA H 1 4.268 0.001 . . . . . . A 14 SER HA . 30479 1 120 . 1 1 14 14 SER HB2 H 1 4.328 0.000 . . . . . . A 14 SER HB2 . 30479 1 121 . 1 1 14 14 SER HB3 H 1 4.131 0.001 . . . . . . A 14 SER HB3 . 30479 1 122 . 1 1 14 14 SER CA C 13 63.994 0.000 . . . . . . A 14 SER CA . 30479 1 123 . 1 1 14 14 SER CB C 13 63.905 0.000 . . . . . . A 14 SER CB . 30479 1 124 . 1 1 14 14 SER N N 15 116.634 0.000 . . . . . . A 14 SER N . 30479 1 125 . 1 1 15 15 LEU H H 1 8.332 0.000 . . . . . . A 15 LEU H . 30479 1 126 . 1 1 15 15 LEU HA H 1 4.225 0.000 . . . . . . A 15 LEU HA . 30479 1 127 . 1 1 15 15 LEU HB2 H 1 1.457 0.002 . . . . . . A 15 LEU HB2 . 30479 1 128 . 1 1 15 15 LEU HB3 H 1 1.995 0.001 . . . . . . A 15 LEU HB3 . 30479 1 129 . 1 1 15 15 LEU HG H 1 1.458 0.002 . . . . . . A 15 LEU HG . 30479 1 130 . 1 1 15 15 LEU CA C 13 57.929 0.000 . . . . . . A 15 LEU CA . 30479 1 131 . 1 1 15 15 LEU N N 15 122.480 0.000 . . . . . . A 15 LEU N . 30479 1 132 . 1 1 16 16 ARG H H 1 8.012 0.000 . . . . . . A 16 ARG H . 30479 1 133 . 1 1 16 16 ARG HA H 1 4.065 0.000 . . . . . . A 16 ARG HA . 30479 1 134 . 1 1 16 16 ARG HB2 H 1 1.954 0.001 . . . . . . A 16 ARG HB2 . 30479 1 135 . 1 1 16 16 ARG HB3 H 1 1.954 0.001 . . . . . . A 16 ARG HB3 . 30479 1 136 . 1 1 16 16 ARG HG2 H 1 1.801 0.001 . . . . . . A 16 ARG HG2 . 30479 1 137 . 1 1 16 16 ARG HG3 H 1 1.707 0.001 . . . . . . A 16 ARG HG3 . 30479 1 138 . 1 1 16 16 ARG HD2 H 1 3.206 0.000 . . . . . . A 16 ARG HD2 . 30479 1 139 . 1 1 16 16 ARG HD3 H 1 3.206 0.000 . . . . . . A 16 ARG HD3 . 30479 1 140 . 1 1 16 16 ARG HE H 1 7.295 0.000 . . . . . . A 16 ARG HE . 30479 1 141 . 1 1 16 16 ARG CA C 13 58.821 0.000 . . . . . . A 16 ARG CA . 30479 1 142 . 1 1 16 16 ARG CB C 13 30.029 0.000 . . . . . . A 16 ARG CB . 30479 1 143 . 1 1 16 16 ARG CG C 13 27.492 0.006 . . . . . . A 16 ARG CG . 30479 1 144 . 1 1 16 16 ARG N N 15 120.318 0.000 . . . . . . A 16 ARG N . 30479 1 145 . 1 1 17 17 ASN H H 1 8.132 0.000 . . . . . . A 17 ASN H . 30479 1 146 . 1 1 17 17 ASN HA H 1 4.728 0.000 . . . . . . A 17 ASN HA . 30479 1 147 . 1 1 17 17 ASN HB2 H 1 2.983 0.001 . . . . . . A 17 ASN HB2 . 30479 1 148 . 1 1 17 17 ASN HB3 H 1 2.863 0.001 . . . . . . A 17 ASN HB3 . 30479 1 149 . 1 1 17 17 ASN HD21 H 1 7.766 0.000 . . . . . . A 17 ASN HD21 . 30479 1 150 . 1 1 17 17 ASN HD22 H 1 6.706 0.000 . . . . . . A 17 ASN HD22 . 30479 1 151 . 1 1 17 17 ASN CA C 13 55.163 0.000 . . . . . . A 17 ASN CA . 30479 1 152 . 1 1 17 17 ASN CB C 13 38.919 0.000 . . . . . . A 17 ASN CB . 30479 1 153 . 1 1 17 17 ASN N N 15 115.991 0.000 . . . . . . A 17 ASN N . 30479 1 154 . 1 1 18 18 GLY H H 1 7.694 0.001 . . . . . . A 18 GLY H . 30479 1 155 . 1 1 18 18 GLY HA2 H 1 4.057 0.001 . . . . . . A 18 GLY HA2 . 30479 1 156 . 1 1 18 18 GLY HA3 H 1 4.357 0.000 . . . . . . A 18 GLY HA3 . 30479 1 157 . 1 1 18 18 GLY CA C 13 45.875 0.000 . . . . . . A 18 GLY CA . 30479 1 158 . 1 1 18 18 GLY N N 15 106.357 0.000 . . . . . . A 18 GLY N . 30479 1 159 . 1 1 19 19 ASP H H 1 8.429 0.001 . . . . . . A 19 ASP H . 30479 1 160 . 1 1 19 19 ASP HA H 1 4.365 0.000 . . . . . . A 19 ASP HA . 30479 1 161 . 1 1 19 19 ASP HB2 H 1 2.883 0.001 . . . . . . A 19 ASP HB2 . 30479 1 162 . 1 1 19 19 ASP HB3 H 1 2.780 0.002 . . . . . . A 19 ASP HB3 . 30479 1 163 . 1 1 19 19 ASP CA C 13 57.556 0.000 . . . . . . A 19 ASP CA . 30479 1 164 . 1 1 19 19 ASP CB C 13 41.169 0.000 . . . . . . A 19 ASP CB . 30479 1 165 . 1 1 19 19 ASP N N 15 120.315 0.000 . . . . . . A 19 ASP N . 30479 1 166 . 1 1 20 20 CYS H H 1 8.246 0.002 . . . . . . A 20 CYS H . 30479 1 167 . 1 1 20 20 CYS HA H 1 4.259 0.000 . . . . . . A 20 CYS HA . 30479 1 168 . 1 1 20 20 CYS HB2 H 1 2.961 0.001 . . . . . . A 20 CYS HB2 . 30479 1 169 . 1 1 20 20 CYS HB3 H 1 2.898 0.002 . . . . . . A 20 CYS HB3 . 30479 1 170 . 1 1 20 20 CYS CA C 13 55.040 0.000 . . . . . . A 20 CYS CA . 30479 1 171 . 1 1 20 20 CYS CB C 13 38.041 0.006 . . . . . . A 20 CYS CB . 30479 1 172 . 1 1 20 20 CYS N N 15 112.361 0.000 . . . . . . A 20 CYS N . 30479 1 173 . 1 1 21 21 ASP H H 1 7.442 0.001 . . . . . . A 21 ASP H . 30479 1 174 . 1 1 21 21 ASP HA H 1 4.998 0.002 . . . . . . A 21 ASP HA . 30479 1 175 . 1 1 21 21 ASP HB2 H 1 3.017 0.001 . . . . . . A 21 ASP HB2 . 30479 1 176 . 1 1 21 21 ASP HB3 H 1 2.665 0.002 . . . . . . A 21 ASP HB3 . 30479 1 177 . 1 1 21 21 ASP CA C 13 52.060 0.000 . . . . . . A 21 ASP CA . 30479 1 178 . 1 1 21 21 ASP CB C 13 39.546 0.000 . . . . . . A 21 ASP CB . 30479 1 179 . 1 1 21 21 ASP N N 15 113.818 0.000 . . . . . . A 21 ASP N . 30479 1 180 . 1 1 22 22 ASN H H 1 7.200 0.001 . . . . . . A 22 ASN H . 30479 1 181 . 1 1 22 22 ASN HA H 1 4.842 0.002 . . . . . . A 22 ASN HA . 30479 1 182 . 1 1 22 22 ASN HB2 H 1 3.044 0.001 . . . . . . A 22 ASN HB2 . 30479 1 183 . 1 1 22 22 ASN HB3 H 1 2.910 0.001 . . . . . . A 22 ASN HB3 . 30479 1 184 . 1 1 22 22 ASN HD21 H 1 8.035 0.001 . . . . . . A 22 ASN HD21 . 30479 1 185 . 1 1 22 22 ASN HD22 H 1 7.158 0.002 . . . . . . A 22 ASN HD22 . 30479 1 186 . 1 1 22 22 ASN CA C 13 55.059 0.000 . . . . . . A 22 ASN CA . 30479 1 187 . 1 1 22 22 ASN CB C 13 39.567 0.016 . . . . . . A 22 ASN CB . 30479 1 188 . 1 1 23 23 ASP H H 1 9.424 0.001 . . . . . . A 23 ASP H . 30479 1 189 . 1 1 23 23 ASP HA H 1 4.418 0.000 . . . . . . A 23 ASP HA . 30479 1 190 . 1 1 23 23 ASP HB2 H 1 2.938 0.002 . . . . . . A 23 ASP HB2 . 30479 1 191 . 1 1 23 23 ASP HB3 H 1 2.938 0.002 . . . . . . A 23 ASP HB3 . 30479 1 192 . 1 1 23 23 ASP CA C 13 56.471 0.000 . . . . . . A 23 ASP CA . 30479 1 193 . 1 1 23 23 ASP CB C 13 33.848 0.000 . . . . . . A 23 ASP CB . 30479 1 194 . 1 1 23 23 ASP N N 15 124.273 0.000 . . . . . . A 23 ASP N . 30479 1 195 . 1 1 24 24 ASP H H 1 8.506 0.001 . . . . . . A 24 ASP H . 30479 1 196 . 1 1 24 24 ASP HA H 1 4.730 0.000 . . . . . . A 24 ASP HA . 30479 1 197 . 1 1 24 24 ASP HB2 H 1 2.920 0.001 . . . . . . A 24 ASP HB2 . 30479 1 198 . 1 1 24 24 ASP HB3 H 1 2.861 0.001 . . . . . . A 24 ASP HB3 . 30479 1 199 . 1 1 24 24 ASP CA C 13 53.216 0.000 . . . . . . A 24 ASP CA . 30479 1 200 . 1 1 24 24 ASP CB C 13 39.054 0.005 . . . . . . A 24 ASP CB . 30479 1 201 . 1 1 24 24 ASP N N 15 117.345 0.000 . . . . . . A 24 ASP N . 30479 1 202 . 1 1 25 25 LYS H H 1 8.057 0.001 . . . . . . A 25 LYS H . 30479 1 203 . 1 1 25 25 LYS HA H 1 4.793 0.006 . . . . . . A 25 LYS HA . 30479 1 204 . 1 1 25 25 LYS HB2 H 1 2.172 0.002 . . . . . . A 25 LYS HB2 . 30479 1 205 . 1 1 25 25 LYS HB3 H 1 2.113 0.001 . . . . . . A 25 LYS HB3 . 30479 1 206 . 1 1 25 25 LYS HG2 H 1 1.353 0.001 . . . . . . A 25 LYS HG2 . 30479 1 207 . 1 1 25 25 LYS HG3 H 1 1.353 0.001 . . . . . . A 25 LYS HG3 . 30479 1 208 . 1 1 25 25 LYS CB C 13 34.196 0.000 . . . . . . A 25 LYS CB . 30479 1 209 . 1 1 25 25 LYS CG C 13 25.174 0.000 . . . . . . A 25 LYS CG . 30479 1 210 . 1 1 25 25 LYS N N 15 117.663 0.000 . . . . . . A 25 LYS N . 30479 1 211 . 1 1 26 26 LEU H H 1 7.261 0.001 . . . . . . A 26 LEU H . 30479 1 212 . 1 1 26 26 LEU HA H 1 4.074 0.000 . . . . . . A 26 LEU HA . 30479 1 213 . 1 1 26 26 LEU HB2 H 1 1.728 0.001 . . . . . . A 26 LEU HB2 . 30479 1 214 . 1 1 26 26 LEU HB3 H 1 1.557 0.001 . . . . . . A 26 LEU HB3 . 30479 1 215 . 1 1 26 26 LEU HG H 1 1.549 0.001 . . . . . . A 26 LEU HG . 30479 1 216 . 1 1 26 26 LEU HD11 H 1 0.861 0.001 . . . . . . A 26 LEU HD11 . 30479 1 217 . 1 1 26 26 LEU HD12 H 1 0.861 0.001 . . . . . . A 26 LEU HD12 . 30479 1 218 . 1 1 26 26 LEU HD13 H 1 0.861 0.001 . . . . . . A 26 LEU HD13 . 30479 1 219 . 1 1 26 26 LEU HD21 H 1 0.836 0.001 . . . . . . A 26 LEU HD21 . 30479 1 220 . 1 1 26 26 LEU HD22 H 1 0.836 0.001 . . . . . . A 26 LEU HD22 . 30479 1 221 . 1 1 26 26 LEU HD23 H 1 0.836 0.001 . . . . . . A 26 LEU HD23 . 30479 1 222 . 1 1 26 26 LEU CA C 13 59.007 0.000 . . . . . . A 26 LEU CA . 30479 1 223 . 1 1 27 27 LEU H H 1 8.316 0.001 . . . . . . A 27 LEU H . 30479 1 224 . 1 1 27 27 LEU HA H 1 4.034 0.000 . . . . . . A 27 LEU HA . 30479 1 225 . 1 1 27 27 LEU HB2 H 1 1.725 0.001 . . . . . . A 27 LEU HB2 . 30479 1 226 . 1 1 27 27 LEU HB3 H 1 1.604 0.001 . . . . . . A 27 LEU HB3 . 30479 1 227 . 1 1 27 27 LEU HG H 1 1.518 0.002 . . . . . . A 27 LEU HG . 30479 1 228 . 1 1 27 27 LEU HD11 H 1 0.840 0.001 . . . . . . A 27 LEU HD11 . 30479 1 229 . 1 1 27 27 LEU HD12 H 1 0.840 0.001 . . . . . . A 27 LEU HD12 . 30479 1 230 . 1 1 27 27 LEU HD13 H 1 0.840 0.001 . . . . . . A 27 LEU HD13 . 30479 1 231 . 1 1 27 27 LEU HD21 H 1 0.903 0.001 . . . . . . A 27 LEU HD21 . 30479 1 232 . 1 1 27 27 LEU HD22 H 1 0.903 0.001 . . . . . . A 27 LEU HD22 . 30479 1 233 . 1 1 27 27 LEU HD23 H 1 0.903 0.001 . . . . . . A 27 LEU HD23 . 30479 1 234 . 1 1 27 27 LEU CA C 13 57.906 0.000 . . . . . . A 27 LEU CA . 30479 1 235 . 1 1 27 27 LEU N N 15 119.590 0.000 . . . . . . A 27 LEU N . 30479 1 236 . 1 1 28 28 GLU H H 1 7.986 0.001 . . . . . . A 28 GLU H . 30479 1 237 . 1 1 28 28 GLU HA H 1 4.093 0.000 . . . . . . A 28 GLU HA . 30479 1 238 . 1 1 28 28 GLU HB2 H 1 2.238 0.002 . . . . . . A 28 GLU HB2 . 30479 1 239 . 1 1 28 28 GLU HB3 H 1 2.192 0.001 . . . . . . A 28 GLU HB3 . 30479 1 240 . 1 1 28 28 GLU HG2 H 1 2.573 0.001 . . . . . . A 28 GLU HG2 . 30479 1 241 . 1 1 28 28 GLU HG3 H 1 2.426 0.001 . . . . . . A 28 GLU HG3 . 30479 1 242 . 1 1 28 28 GLU CA C 13 55.103 0.000 . . . . . . A 28 GLU CA . 30479 1 243 . 1 1 28 28 GLU CB C 13 28.263 0.000 . . . . . . A 28 GLU CB . 30479 1 244 . 1 1 28 28 GLU CG C 13 33.699 0.005 . . . . . . A 28 GLU CG . 30479 1 245 . 1 1 28 28 GLU N N 15 119.107 0.000 . . . . . . A 28 GLU N . 30479 1 246 . 1 1 29 29 MET H H 1 9.093 0.001 . . . . . . A 29 MET H . 30479 1 247 . 1 1 29 29 MET HA H 1 4.462 0.000 . . . . . . A 29 MET HA . 30479 1 248 . 1 1 29 29 MET HB2 H 1 2.432 0.001 . . . . . . A 29 MET HB2 . 30479 1 249 . 1 1 29 29 MET HB3 H 1 2.432 0.001 . . . . . . A 29 MET HB3 . 30479 1 250 . 1 1 29 29 MET HG2 H 1 2.913 0.004 . . . . . . A 29 MET HG2 . 30479 1 251 . 1 1 29 29 MET HG3 H 1 2.913 0.004 . . . . . . A 29 MET HG3 . 30479 1 252 . 1 1 29 29 MET HE1 H 1 2.154 0.000 . . . . . . A 29 MET HE1 . 30479 1 253 . 1 1 29 29 MET HE2 H 1 2.154 0.000 . . . . . . A 29 MET HE2 . 30479 1 254 . 1 1 29 29 MET HE3 H 1 2.154 0.000 . . . . . . A 29 MET HE3 . 30479 1 255 . 1 1 29 29 MET CA C 13 56.931 0.000 . . . . . . A 29 MET CA . 30479 1 256 . 1 1 29 29 MET CB C 13 34.804 0.008 . . . . . . A 29 MET CB . 30479 1 257 . 1 1 29 29 MET N N 15 118.565 0.000 . . . . . . A 29 MET N . 30479 1 258 . 1 1 30 30 GLY H H 1 8.455 0.001 . . . . . . A 30 GLY H . 30479 1 259 . 1 1 30 30 GLY HA2 H 1 3.623 0.001 . . . . . . A 30 GLY HA2 . 30479 1 260 . 1 1 30 30 GLY HA3 H 1 3.779 0.000 . . . . . . A 30 GLY HA3 . 30479 1 261 . 1 1 30 30 GLY CA C 13 46.630 0.000 . . . . . . A 30 GLY CA . 30479 1 262 . 1 1 30 30 GLY N N 15 106.596 0.000 . . . . . . A 30 GLY N . 30479 1 263 . 1 1 31 31 TYR H H 1 7.269 0.001 . . . . . . A 31 TYR H . 30479 1 264 . 1 1 31 31 TYR HA H 1 4.390 0.000 . . . . . . A 31 TYR HA . 30479 1 265 . 1 1 31 31 TYR HB2 H 1 2.800 0.001 . . . . . . A 31 TYR HB2 . 30479 1 266 . 1 1 31 31 TYR HB3 H 1 2.604 0.001 . . . . . . A 31 TYR HB3 . 30479 1 267 . 1 1 31 31 TYR HD1 H 1 6.274 0.003 . . . . . . A 31 TYR HD1 . 30479 1 268 . 1 1 31 31 TYR HD2 H 1 6.274 0.003 . . . . . . A 31 TYR HD2 . 30479 1 269 . 1 1 31 31 TYR HE1 H 1 6.545 0.001 . . . . . . A 31 TYR HE1 . 30479 1 270 . 1 1 31 31 TYR HE2 H 1 6.545 0.001 . . . . . . A 31 TYR HE2 . 30479 1 271 . 1 1 31 31 TYR CA C 13 56.282 0.000 . . . . . . A 31 TYR CA . 30479 1 272 . 1 1 32 32 TYR H H 1 8.370 0.001 . . . . . . A 32 TYR H . 30479 1 273 . 1 1 32 32 TYR HA H 1 4.199 0.000 . . . . . . A 32 TYR HA . 30479 1 274 . 1 1 32 32 TYR HB2 H 1 2.323 0.001 . . . . . . A 32 TYR HB2 . 30479 1 275 . 1 1 32 32 TYR HB3 H 1 2.122 0.001 . . . . . . A 32 TYR HB3 . 30479 1 276 . 1 1 32 32 TYR HD1 H 1 6.814 0.001 . . . . . . A 32 TYR HD1 . 30479 1 277 . 1 1 32 32 TYR HD2 H 1 6.814 0.001 . . . . . . A 32 TYR HD2 . 30479 1 278 . 1 1 32 32 TYR HE1 H 1 6.881 0.001 . . . . . . A 32 TYR HE1 . 30479 1 279 . 1 1 32 32 TYR HE2 H 1 6.881 0.001 . . . . . . A 32 TYR HE2 . 30479 1 280 . 1 1 32 32 TYR CA C 13 58.207 0.000 . . . . . . A 32 TYR CA . 30479 1 281 . 1 1 32 32 TYR N N 15 114.324 0.000 . . . . . . A 32 TYR N . 30479 1 282 . 1 1 33 33 CYS H H 1 8.285 0.000 . . . . . . A 33 CYS H . 30479 1 283 . 1 1 33 33 CYS HA H 1 5.857 0.000 . . . . . . A 33 CYS HA . 30479 1 284 . 1 1 33 33 CYS HB2 H 1 3.367 0.000 . . . . . . A 33 CYS HB2 . 30479 1 285 . 1 1 33 33 CYS HB3 H 1 3.033 0.001 . . . . . . A 33 CYS HB3 . 30479 1 286 . 1 1 33 33 CYS CA C 13 52.623 0.000 . . . . . . A 33 CYS CA . 30479 1 287 . 1 1 33 33 CYS CB C 13 42.350 0.000 . . . . . . A 33 CYS CB . 30479 1 288 . 1 1 33 33 CYS N N 15 114.740 0.000 . . . . . . A 33 CYS N . 30479 1 289 . 1 1 34 34 PRO HA H 1 4.131 0.000 . . . . . . A 34 PRO HA . 30479 1 290 . 1 1 34 34 PRO HB2 H 1 2.385 0.002 . . . . . . A 34 PRO HB2 . 30479 1 291 . 1 1 34 34 PRO HB3 H 1 2.076 0.001 . . . . . . A 34 PRO HB3 . 30479 1 292 . 1 1 34 34 PRO HG2 H 1 1.669 0.000 . . . . . . A 34 PRO HG2 . 30479 1 293 . 1 1 34 34 PRO HG3 H 1 2.121 0.002 . . . . . . A 34 PRO HG3 . 30479 1 294 . 1 1 34 34 PRO HD2 H 1 3.714 0.001 . . . . . . A 34 PRO HD2 . 30479 1 295 . 1 1 34 34 PRO HD3 H 1 3.318 0.001 . . . . . . A 34 PRO HD3 . 30479 1 296 . 1 1 34 34 PRO CA C 13 66.434 0.000 . . . . . . A 34 PRO CA . 30479 1 297 . 1 1 34 34 PRO CB C 13 30.852 0.000 . . . . . . A 34 PRO CB . 30479 1 298 . 1 1 34 34 PRO CG C 13 29.344 0.000 . . . . . . A 34 PRO CG . 30479 1 299 . 1 1 35 35 VAL H H 1 7.748 0.000 . . . . . . A 35 VAL H . 30479 1 300 . 1 1 35 35 VAL HA H 1 3.881 0.000 . . . . . . A 35 VAL HA . 30479 1 301 . 1 1 35 35 VAL HB H 1 2.001 0.000 . . . . . . A 35 VAL HB . 30479 1 302 . 1 1 35 35 VAL CA C 13 65.514 0.000 . . . . . . A 35 VAL CA . 30479 1 303 . 1 1 35 35 VAL CB C 13 31.334 0.000 . . . . . . A 35 VAL CB . 30479 1 304 . 1 1 35 35 VAL N N 15 119.222 0.000 . . . . . . A 35 VAL N . 30479 1 305 . 1 1 36 36 THR H H 1 9.399 0.000 . . . . . . A 36 THR H . 30479 1 306 . 1 1 36 36 THR HA H 1 3.931 0.000 . . . . . . A 36 THR HA . 30479 1 307 . 1 1 36 36 THR HB H 1 3.772 0.001 . . . . . . A 36 THR HB . 30479 1 308 . 1 1 36 36 THR HG21 H 1 1.097 0.002 . . . . . . A 36 THR HG21 . 30479 1 309 . 1 1 36 36 THR HG22 H 1 1.097 0.002 . . . . . . A 36 THR HG22 . 30479 1 310 . 1 1 36 36 THR HG23 H 1 1.097 0.002 . . . . . . A 36 THR HG23 . 30479 1 311 . 1 1 36 36 THR CA C 13 68.404 0.000 . . . . . . A 36 THR CA . 30479 1 312 . 1 1 36 36 THR CB C 13 68.404 0.000 . . . . . . A 36 THR CB . 30479 1 313 . 1 1 36 36 THR N N 15 122.743 0.000 . . . . . . A 36 THR N . 30479 1 314 . 1 1 37 37 CYS H H 1 8.199 0.001 . . . . . . A 37 CYS H . 30479 1 315 . 1 1 37 37 CYS HA H 1 4.678 0.000 . . . . . . A 37 CYS HA . 30479 1 316 . 1 1 37 37 CYS HB2 H 1 2.532 0.001 . . . . . . A 37 CYS HB2 . 30479 1 317 . 1 1 37 37 CYS HB3 H 1 1.929 0.002 . . . . . . A 37 CYS HB3 . 30479 1 318 . 1 1 37 37 CYS N N 15 111.474 0.000 . . . . . . A 37 CYS N . 30479 1 319 . 1 1 38 38 GLY H H 1 7.544 0.001 . . . . . . A 38 GLY H . 30479 1 320 . 1 1 38 38 GLY HA2 H 1 3.914 0.001 . . . . . . A 38 GLY HA2 . 30479 1 321 . 1 1 38 38 GLY HA3 H 1 3.982 0.000 . . . . . . A 38 GLY HA3 . 30479 1 322 . 1 1 38 38 GLY CA C 13 46.553 0.000 . . . . . . A 38 GLY CA . 30479 1 323 . 1 1 38 38 GLY N N 15 108.101 0.000 . . . . . . A 38 GLY N . 30479 1 324 . 1 1 39 39 PHE H H 1 8.675 0.001 . . . . . . A 39 PHE H . 30479 1 325 . 1 1 39 39 PHE HA H 1 4.846 0.000 . . . . . . A 39 PHE HA . 30479 1 326 . 1 1 39 39 PHE HB2 H 1 2.898 0.001 . . . . . . A 39 PHE HB2 . 30479 1 327 . 1 1 39 39 PHE HB3 H 1 3.499 0.001 . . . . . . A 39 PHE HB3 . 30479 1 328 . 1 1 39 39 PHE HD1 H 1 6.985 0.001 . . . . . . A 39 PHE HD1 . 30479 1 329 . 1 1 39 39 PHE HD2 H 1 6.985 0.001 . . . . . . A 39 PHE HD2 . 30479 1 330 . 1 1 39 39 PHE HE1 H 1 7.171 0.001 . . . . . . A 39 PHE HE1 . 30479 1 331 . 1 1 39 39 PHE HE2 H 1 7.171 0.001 . . . . . . A 39 PHE HE2 . 30479 1 332 . 1 1 39 39 PHE CA C 13 55.509 0.000 . . . . . . A 39 PHE CA . 30479 1 333 . 1 1 39 39 PHE N N 15 118.758 0.000 . . . . . . A 39 PHE N . 30479 1 334 . 1 1 40 40 CYS HA H 1 4.715 0.000 . . . . . . A 40 CYS HA . 30479 1 335 . 1 1 40 40 CYS HB2 H 1 3.280 0.001 . . . . . . A 40 CYS HB2 . 30479 1 336 . 1 1 40 40 CYS HB3 H 1 3.149 0.001 . . . . . . A 40 CYS HB3 . 30479 1 337 . 1 1 40 40 CYS CA C 13 55.484 0.000 . . . . . . A 40 CYS CA . 30479 1 338 . 1 1 40 40 CYS CB C 13 43.550 0.006 . . . . . . A 40 CYS CB . 30479 1 339 . 1 1 40 40 CYS N N 15 116.643 0.000 . . . . . . A 40 CYS N . 30479 1 340 . 1 1 41 41 NH2 HN1 H 1 7.989 0.001 . . . . . . A 41 NH2 HN1 . 30479 1 stop_ save_