################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 36457 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' 1 $sample_1 anisotropic 36457 1 2 '2D 1H-15N HSQC' 1 $sample_1 anisotropic 36457 1 3 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36457 1 4 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36457 1 5 '2D 1H-1H COSY' 1 $sample_1 anisotropic 36457 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 CYS CA C 13 51.688 0.00 . 1 . . . . A 1 CYS CA . 36457 1 2 . 1 . 1 1 1 CYS CB C 13 36.807 0.00 . 1 . . . . A 1 CYS CB . 36457 1 3 . 1 . 1 1 1 CYS HA H 1 4.469 0.00 . 1 . . . . A 1 CYS HA . 36457 1 4 . 1 . 1 1 1 CYS HB2 H 1 3.289 0.00 . . . . . . A 1 CYS HB2 . 36457 1 5 . 1 . 1 1 1 CYS HB3 H 1 2.870 0.00 . . . . . . A 1 CYS HB3 . 36457 1 6 . 1 . 1 2 2 PRO CA C 13 58.949 0.00 . 1 . . . . A 2 PRO CA . 36457 1 7 . 1 . 1 2 2 PRO CB C 13 27.955 0.02 . 1 . . . . A 2 PRO CB . 36457 1 8 . 1 . 1 2 2 PRO CD C 13 47.584 0.00 . 1 . . . . A 2 PRO CD . 36457 1 9 . 1 . 1 2 2 PRO HA H 1 4.720 0.00 . 1 . . . . A 2 PRO HA . 36457 1 10 . 1 . 1 2 2 PRO HB2 H 1 2.333 0.00 . . . . . . A 2 PRO HB2 . 36457 1 11 . 1 . 1 2 2 PRO HB3 H 1 1.883 0.00 . . . . . . A 2 PRO HB3 . 36457 1 12 . 1 . 1 2 2 PRO HD2 H 1 3.710 0.00 . . . . . . A 2 PRO HD2 . 36457 1 13 . 1 . 1 2 2 PRO HD3 H 1 3.578 0.00 . . . . . . A 2 PRO HD3 . 36457 1 14 . 1 . 1 2 2 PRO HG2 H 1 1.970 0.00 . . . . . . A 2 PRO HG2 . 36457 1 15 . 1 . 1 3 3 PRO CA C 13 60.068 0.00 . 1 . . . . A 3 PRO CA . 36457 1 16 . 1 . 1 3 3 PRO CB C 13 29.258 0.00 . 1 . . . . A 3 PRO CB . 36457 1 17 . 1 . 1 3 3 PRO CD C 13 47.560 0.00 . 1 . . . . A 3 PRO CD . 36457 1 18 . 1 . 1 3 3 PRO CG C 13 24.732 0.00 . 1 . . . . A 3 PRO CG . 36457 1 19 . 1 . 1 3 3 PRO HA H 1 4.385 0.00 . 1 . . . . A 3 PRO HA . 36457 1 20 . 1 . 1 3 3 PRO HB2 H 1 2.118 0.00 . . . . . . A 3 PRO HB2 . 36457 1 21 . 1 . 1 3 3 PRO HB3 H 1 1.729 0.00 . . . . . . A 3 PRO HB3 . 36457 1 22 . 1 . 1 3 3 PRO HD3 H 1 3.554 0.00 . . . . . . A 3 PRO HD3 . 36457 1 23 . 1 . 1 3 3 PRO HG2 H 1 1.955 0.01 . . . . . . A 3 PRO HG2 . 36457 1 24 . 1 . 1 4 4 CYS CA C 13 52.797 0.00 . 1 . . . . A 4 CYS CA . 36457 1 25 . 1 . 1 4 4 CYS CB C 13 36.802 0.00 . 1 . . . . A 4 CYS CB . 36457 1 26 . 1 . 1 4 4 CYS H H 1 8.404 0.00 . 1 . . . . A 4 CYS H . 36457 1 27 . 1 . 1 4 4 CYS HA H 1 4.555 0.00 . 1 . . . . A 4 CYS HA . 36457 1 28 . 1 . 1 4 4 CYS HB2 H 1 2.877 0.00 . . . . . . A 4 CYS HB2 . 36457 1 29 . 1 . 1 4 4 CYS HB3 H 1 2.841 0.00 . . . . . . A 4 CYS HB3 . 36457 1 30 . 1 . 1 4 4 CYS N N 15 118.544 0.00 . 1 . . . . A 4 CYS N . 36457 1 31 . 1 . 1 5 5 HIS CA C 13 53.134 0.00 . 1 . . . . A 5 HIS CA . 36457 1 32 . 1 . 1 5 5 HIS CB C 13 25.148 0.00 . 1 . . . . A 5 HIS CB . 36457 1 33 . 1 . 1 5 5 HIS H H 1 8.667 0.00 . 1 . . . . A 5 HIS H . 36457 1 34 . 1 . 1 5 5 HIS HA H 1 4.490 0.00 . 1 . . . . A 5 HIS HA . 36457 1 35 . 1 . 1 5 5 HIS HB2 H 1 3.261 0.00 . . . . . . A 5 HIS HB2 . 36457 1 36 . 1 . 1 5 5 HIS HB3 H 1 3.179 0.00 . . . . . . A 5 HIS HB3 . 36457 1 37 . 1 . 1 5 5 HIS HD2 H 1 7.221 0.00 . 1 . . . . A 5 HIS HD2 . 36457 1 38 . 1 . 1 6 6 GLY CA C 13 42.502 0.01 . 1 . . . . A 6 GLY CA . 36457 1 39 . 1 . 1 6 6 GLY H H 1 8.115 0.00 . 1 . . . . A 6 GLY H . 36457 1 40 . 1 . 1 6 6 GLY HA2 H 1 3.909 0.00 . . . . . . A 6 GLY HA2 . 36457 1 41 . 1 . 1 6 6 GLY HA3 H 1 3.741 0.00 . . . . . . A 6 GLY HA3 . 36457 1 42 . 1 . 1 6 6 GLY N N 15 106.750 0.00 . 1 . . . . A 6 GLY N . 36457 1 43 . 1 . 1 7 7 ARG CA C 13 51.826 0.00 . 1 . . . . A 7 ARG CA . 36457 1 44 . 1 . 1 7 7 ARG CB C 13 28.131 0.01 . 1 . . . . A 7 ARG CB . 36457 1 45 . 1 . 1 7 7 ARG CD C 13 41.030 0.00 . 1 . . . . A 7 ARG CD . 36457 1 46 . 1 . 1 7 7 ARG CG C 13 24.239 0.00 . 1 . . . . A 7 ARG CG . 36457 1 47 . 1 . 1 7 7 ARG H H 1 7.598 0.00 . 1 . . . . A 7 ARG H . 36457 1 48 . 1 . 1 7 7 ARG HA H 1 4.609 0.00 . 1 . . . . A 7 ARG HA . 36457 1 49 . 1 . 1 7 7 ARG HB2 H 1 1.771 0.00 . . . . . . A 7 ARG HB2 . 36457 1 50 . 1 . 1 7 7 ARG HB3 H 1 1.693 0.00 . . . . . . A 7 ARG HB3 . 36457 1 51 . 1 . 1 7 7 ARG HD2 H 1 3.125 0.00 . . . . . . A 7 ARG HD2 . 36457 1 52 . 1 . 1 7 7 ARG HE H 1 7.054 0.00 . 1 . . . . A 7 ARG HE . 36457 1 53 . 1 . 1 7 7 ARG HG2 H 1 1.637 0.00 . . . . . . A 7 ARG HG2 . 36457 1 54 . 1 . 1 7 7 ARG HG3 H 1 1.580 0.01 . . . . . . A 7 ARG HG3 . 36457 1 55 . 1 . 1 7 7 ARG HH11 H 1 7.155 0.00 . . . . . . A 7 ARG HH11 . 36457 1 56 . 1 . 1 8 8 PRO CA C 13 60.170 0.00 . 1 . . . . A 8 PRO CA . 36457 1 57 . 1 . 1 8 8 PRO CB C 13 29.521 0.00 . 1 . . . . A 8 PRO CB . 36457 1 58 . 1 . 1 8 8 PRO HA H 1 4.450 0.00 . 1 . . . . A 8 PRO HA . 36457 1 59 . 1 . 1 8 8 PRO HB2 H 1 2.199 0.00 . . . . . . A 8 PRO HB2 . 36457 1 60 . 1 . 1 8 8 PRO HB3 H 1 1.917 0.00 . . . . . . A 8 PRO HB3 . 36457 1 61 . 1 . 1 8 8 PRO HD2 H 1 3.792 0.00 . . . . . . A 8 PRO HD2 . 36457 1 62 . 1 . 1 8 8 PRO HD3 H 1 3.573 0.00 . . . . . . A 8 PRO HD3 . 36457 1 63 . 1 . 1 9 9 THR CA C 13 58.624 0.00 . 1 . . . . A 9 THR CA . 36457 1 64 . 1 . 1 9 9 THR CB C 13 67.272 0.00 . 1 . . . . A 9 THR CB . 36457 1 65 . 1 . 1 9 9 THR CG2 C 13 19.184 0.00 . 1 . . . . A 9 THR CG2 . 36457 1 66 . 1 . 1 9 9 THR H H 1 7.997 0.00 . 1 . . . . A 9 THR H . 36457 1 67 . 1 . 1 9 9 THR HA H 1 4.239 0.00 . 1 . . . . A 9 THR HA . 36457 1 68 . 1 . 1 9 9 THR HB H 1 4.062 0.00 . 1 . . . . A 9 THR HB . 36457 1 69 . 1 . 1 9 9 THR HG21 H 1 1.112 0.00 . 1 . . . . A 9 THR HG21 . 36457 1 70 . 1 . 1 9 9 THR HG22 H 1 1.112 0.00 . 1 . . . . A 9 THR HG22 . 36457 1 71 . 1 . 1 9 9 THR HG23 H 1 1.112 0.00 . 1 . . . . A 9 THR HG23 . 36457 1 72 . 1 . 1 9 9 THR N N 15 112.226 0.00 . 1 . . . . A 9 THR N . 36457 1 73 . 1 . 1 10 10 CYS CA C 13 52.610 0.00 . 1 . . . . A 10 CYS CA . 36457 1 74 . 1 . 1 10 10 CYS CB C 13 41.314 0.00 . 1 . . . . A 10 CYS CB . 36457 1 75 . 1 . 1 10 10 CYS H H 1 7.903 0.00 . 1 . . . . A 10 CYS H . 36457 1 76 . 1 . 1 10 10 CYS HA H 1 4.645 0.00 . 1 . . . . A 10 CYS HA . 36457 1 77 . 1 . 1 10 10 CYS HB2 H 1 3.309 0.00 . . . . . . A 10 CYS HB2 . 36457 1 78 . 1 . 1 10 10 CYS HB3 H 1 2.946 0.01 . . . . . . A 10 CYS HB3 . 36457 1 79 . 1 . 1 11 11 ASP CA C 13 49.929 0.00 . 1 . . . . A 11 ASP CA . 36457 1 80 . 1 . 1 11 11 ASP CB C 13 35.877 0.00 . 1 . . . . A 11 ASP CB . 36457 1 81 . 1 . 1 11 11 ASP H H 1 8.431 0.00 . 1 . . . . A 11 ASP H . 36457 1 82 . 1 . 1 11 11 ASP HA H 1 4.731 0.00 . 1 . . . . A 11 ASP HA . 36457 1 83 . 1 . 1 11 11 ASP HB2 H 1 2.988 0.00 . . . . . . A 11 ASP HB2 . 36457 1 84 . 1 . 1 11 11 ASP HB3 H 1 2.774 0.00 . . . . . . A 11 ASP HB3 . 36457 1 85 . 1 . 1 11 11 ASP N N 15 118.510 0.00 . 1 . . . . A 11 ASP N . 36457 1 86 . 1 . 1 12 12 SER CA C 13 55.020 0.00 . 1 . . . . A 12 SER CA . 36457 1 87 . 1 . 1 12 12 SER CB C 13 62.091 0.00 . 1 . . . . A 12 SER CB . 36457 1 88 . 1 . 1 12 12 SER H H 1 7.779 0.00 . 1 . . . . A 12 SER H . 36457 1 89 . 1 . 1 12 12 SER HA H 1 4.447 0.00 . 1 . . . . A 12 SER HA . 36457 1 90 . 1 . 1 12 12 SER HB2 H 1 3.936 0.00 . . . . . . A 12 SER HB2 . 36457 1 91 . 1 . 1 12 12 SER N N 15 112.903 0.00 . 1 . . . . A 12 SER N . 36457 1 92 . 1 . 1 13 13 PHE CA C 13 58.307 0.00 . 1 . . . . A 13 PHE CA . 36457 1 93 . 1 . 1 13 13 PHE CB C 13 36.352 0.01 . 1 . . . . A 13 PHE CB . 36457 1 94 . 1 . 1 13 13 PHE H H 1 8.503 0.00 . 1 . . . . A 13 PHE H . 36457 1 95 . 1 . 1 13 13 PHE HA H 1 4.323 0.00 . 1 . . . . A 13 PHE HA . 36457 1 96 . 1 . 1 13 13 PHE HB2 H 1 3.133 0.01 . . . . . . A 13 PHE HB2 . 36457 1 97 . 1 . 1 13 13 PHE HB3 H 1 3.111 0.00 . . . . . . A 13 PHE HB3 . 36457 1 98 . 1 . 1 13 13 PHE HD1 H 1 7.250 0.00 . . . . . . A 13 PHE HD1 . 36457 1 99 . 1 . 1 13 13 PHE HE1 H 1 7.267 0.00 . . . . . . A 13 PHE HE1 . 36457 1 100 . 1 . 1 13 13 PHE HZ H 1 7.177 0.00 . 1 . . . . A 13 PHE HZ . 36457 1 101 . 1 . 1 14 14 THR CA C 13 61.459 0.00 . 1 . . . . A 14 THR CA . 36457 1 102 . 1 . 1 14 14 THR CB C 13 66.569 0.00 . 1 . . . . A 14 THR CB . 36457 1 103 . 1 . 1 14 14 THR CG2 C 13 19.400 0.00 . 1 . . . . A 14 THR CG2 . 36457 1 104 . 1 . 1 14 14 THR H H 1 7.884 0.01 . 1 . . . . A 14 THR H . 36457 1 105 . 1 . 1 14 14 THR HA H 1 4.095 0.00 . 1 . . . . A 14 THR HA . 36457 1 106 . 1 . 1 14 14 THR HB H 1 4.105 0.00 . 1 . . . . A 14 THR HB . 36457 1 107 . 1 . 1 14 14 THR HG21 H 1 1.179 0.00 . 1 . . . . A 14 THR HG21 . 36457 1 108 . 1 . 1 14 14 THR HG22 H 1 1.179 0.00 . 1 . . . . A 14 THR HG22 . 36457 1 109 . 1 . 1 14 14 THR HG23 H 1 1.179 0.00 . 1 . . . . A 14 THR HG23 . 36457 1 110 . 1 . 1 14 14 THR N N 15 109.253 0.00 . 1 . . . . A 14 THR N . 36457 1 111 . 1 . 1 15 15 ASN CA C 13 50.814 0.00 . 1 . . . . A 15 ASN CA . 36457 1 112 . 1 . 1 15 15 ASN CB C 13 36.123 0.00 . 1 . . . . A 15 ASN CB . 36457 1 113 . 1 . 1 15 15 ASN H H 1 7.849 0.00 . 1 . . . . A 15 ASN H . 36457 1 114 . 1 . 1 15 15 ASN HA H 1 4.608 0.00 . 1 . . . . A 15 ASN HA . 36457 1 115 . 1 . 1 15 15 ASN HB2 H 1 2.825 0.00 . . . . . . A 15 ASN HB2 . 36457 1 116 . 1 . 1 15 15 ASN HD21 H 1 7.319 0.03 . . . . . . A 15 ASN HD21 . 36457 1 117 . 1 . 1 15 15 ASN HD22 H 1 6.664 0.00 . . . . . . A 15 ASN HD22 . 36457 1 118 . 1 . 1 15 15 ASN N N 15 118.236 0.00 . 1 . . . . A 15 ASN N . 36457 1 119 . 1 . 1 16 16 CYS CA C 13 54.337 0.00 . 1 . . . . A 16 CYS CA . 36457 1 120 . 1 . 1 16 16 CYS CB C 13 38.767 0.00 . 1 . . . . A 16 CYS CB . 36457 1 121 . 1 . 1 16 16 CYS H H 1 8.264 0.00 . 1 . . . . A 16 CYS H . 36457 1 122 . 1 . 1 16 16 CYS HA H 1 4.473 0.00 . 1 . . . . A 16 CYS HA . 36457 1 123 . 1 . 1 16 16 CYS HB2 H 1 2.975 0.00 . . . . . . A 16 CYS HB2 . 36457 1 124 . 1 . 1 16 16 CYS N N 15 117.471 0.00 . 1 . . . . A 16 CYS N . 36457 1 125 . 1 . 1 17 17 TRP CA C 13 56.432 0.00 . 1 . . . . A 17 TRP CA . 36457 1 126 . 1 . 1 17 17 TRP CB C 13 26.220 0.00 . 1 . . . . A 17 TRP CB . 36457 1 127 . 1 . 1 17 17 TRP H H 1 7.899 0.00 . 1 . . . . A 17 TRP H . 36457 1 128 . 1 . 1 17 17 TRP HA H 1 4.272 0.00 . 1 . . . . A 17 TRP HA . 36457 1 129 . 1 . 1 17 17 TRP HB2 H 1 3.227 0.00 . . . . . . A 17 TRP HB2 . 36457 1 130 . 1 . 1 17 17 TRP HB3 H 1 3.101 0.00 . . . . . . A 17 TRP HB3 . 36457 1 131 . 1 . 1 17 17 TRP HD1 H 1 7.454 0.00 . 1 . . . . A 17 TRP HD1 . 36457 1 132 . 1 . 1 17 17 TRP HE1 H 1 9.749 0.00 . 1 . . . . A 17 TRP HE1 . 36457 1 133 . 1 . 1 17 17 TRP HE3 H 1 7.080 0.00 . 1 . . . . A 17 TRP HE3 . 36457 1 134 . 1 . 1 17 17 TRP HZ2 H 1 7.381 0.00 . 1 . . . . A 17 TRP HZ2 . 36457 1 135 . 1 . 1 17 17 TRP HZ3 H 1 7.029 0.00 . 1 . . . . A 17 TRP HZ3 . 36457 1 136 . 1 . 1 18 18 GLU CA C 13 54.567 0.00 . 1 . . . . A 18 GLU CA . 36457 1 137 . 1 . 1 18 18 GLU CB C 13 25.546 0.00 . 1 . . . . A 18 GLU CB . 36457 1 138 . 1 . 1 18 18 GLU CG C 13 30.139 0.00 . 1 . . . . A 18 GLU CG . 36457 1 139 . 1 . 1 18 18 GLU H H 1 7.664 0.00 . 1 . . . . A 18 GLU H . 36457 1 140 . 1 . 1 18 18 GLU HA H 1 3.977 0.00 . 1 . . . . A 18 GLU HA . 36457 1 141 . 1 . 1 18 18 GLU HB2 H 1 1.943 0.00 . . . . . . A 18 GLU HB2 . 36457 1 142 . 1 . 1 18 18 GLU HG2 H 1 2.228 0.00 . . . . . . A 18 GLU HG2 . 36457 1 143 . 1 . 1 19 19 LEU CA C 13 53.563 0.00 . 1 . . . . A 19 LEU CA . 36457 1 144 . 1 . 1 19 19 LEU CB C 13 39.675 0.01 . 1 . . . . A 19 LEU CB . 36457 1 145 . 1 . 1 19 19 LEU CD1 C 13 20.953 0.00 . . . . . . A 19 LEU CD1 . 36457 1 146 . 1 . 1 19 19 LEU CD2 C 13 22.575 0.00 . . . . . . A 19 LEU CD2 . 36457 1 147 . 1 . 1 19 19 LEU CG C 13 24.440 0.00 . 1 . . . . A 19 LEU CG . 36457 1 148 . 1 . 1 19 19 LEU H H 1 7.530 0.00 . 1 . . . . A 19 LEU H . 36457 1 149 . 1 . 1 19 19 LEU HA H 1 4.174 0.00 . 1 . . . . A 19 LEU HA . 36457 1 150 . 1 . 1 19 19 LEU HB2 H 1 1.691 0.00 . . . . . . A 19 LEU HB2 . 36457 1 151 . 1 . 1 19 19 LEU HB3 H 1 1.602 0.00 . . . . . . A 19 LEU HB3 . 36457 1 152 . 1 . 1 19 19 LEU HD11 H 1 0.832 0.00 . . . . . . A 19 LEU HD11 . 36457 1 153 . 1 . 1 19 19 LEU HD12 H 1 0.832 0.00 . . . . . . A 19 LEU HD12 . 36457 1 154 . 1 . 1 19 19 LEU HD13 H 1 0.832 0.00 . . . . . . A 19 LEU HD13 . 36457 1 155 . 1 . 1 19 19 LEU HD21 H 1 0.883 0.00 . . . . . . A 19 LEU HD21 . 36457 1 156 . 1 . 1 19 19 LEU HD22 H 1 0.883 0.00 . . . . . . A 19 LEU HD22 . 36457 1 157 . 1 . 1 19 19 LEU HD23 H 1 0.883 0.00 . . . . . . A 19 LEU HD23 . 36457 1 158 . 1 . 1 19 19 LEU HG H 1 1.680 0.00 . 1 . . . . A 19 LEU HG . 36457 1 159 . 1 . 1 20 20 LEU CA C 13 53.853 0.00 . 1 . . . . A 20 LEU CA . 36457 1 160 . 1 . 1 20 20 LEU CB C 13 39.719 0.02 . 1 . . . . A 20 LEU CB . 36457 1 161 . 1 . 1 20 20 LEU CD1 C 13 22.412 0.00 . . . . . . A 20 LEU CD1 . 36457 1 162 . 1 . 1 20 20 LEU CD2 C 13 20.453 0.00 . . . . . . A 20 LEU CD2 . 36457 1 163 . 1 . 1 20 20 LEU CG C 13 24.428 0.00 . 1 . . . . A 20 LEU CG . 36457 1 164 . 1 . 1 20 20 LEU H H 1 7.673 0.00 . 1 . . . . A 20 LEU H . 36457 1 165 . 1 . 1 20 20 LEU HA H 1 4.114 0.00 . 1 . . . . A 20 LEU HA . 36457 1 166 . 1 . 1 20 20 LEU HB2 H 1 1.701 0.00 . . . . . . A 20 LEU HB2 . 36457 1 167 . 1 . 1 20 20 LEU HB3 H 1 1.519 0.00 . . . . . . A 20 LEU HB3 . 36457 1 168 . 1 . 1 20 20 LEU HD11 H 1 0.842 0.00 . . . . . . A 20 LEU HD11 . 36457 1 169 . 1 . 1 20 20 LEU HD12 H 1 0.842 0.00 . . . . . . A 20 LEU HD12 . 36457 1 170 . 1 . 1 20 20 LEU HD13 H 1 0.842 0.00 . . . . . . A 20 LEU HD13 . 36457 1 171 . 1 . 1 20 20 LEU HD21 H 1 0.819 0.01 . . . . . . A 20 LEU HD21 . 36457 1 172 . 1 . 1 20 20 LEU HD22 H 1 0.819 0.01 . . . . . . A 20 LEU HD22 . 36457 1 173 . 1 . 1 20 20 LEU HD23 H 1 0.819 0.01 . . . . . . A 20 LEU HD23 . 36457 1 174 . 1 . 1 20 20 LEU HG H 1 1.696 0.00 . 1 . . . . A 20 LEU HG . 36457 1 175 . 1 . 1 21 21 THR CA C 13 58.624 0.00 . 1 . . . . A 21 THR CA . 36457 1 176 . 1 . 1 21 21 THR CB C 13 66.921 0.00 . 1 . . . . A 21 THR CB . 36457 1 177 . 1 . 1 21 21 THR CG2 C 13 18.780 0.00 . 1 . . . . A 21 THR CG2 . 36457 1 178 . 1 . 1 21 21 THR H H 1 7.335 0.00 . 1 . . . . A 21 THR H . 36457 1 179 . 1 . 1 21 21 THR HA H 1 4.248 0.00 . 1 . . . . A 21 THR HA . 36457 1 180 . 1 . 1 21 21 THR HB H 1 4.185 0.00 . 1 . . . . A 21 THR HB . 36457 1 181 . 1 . 1 21 21 THR HG21 H 1 1.004 0.00 . 1 . . . . A 21 THR HG21 . 36457 1 182 . 1 . 1 21 21 THR HG22 H 1 1.004 0.00 . 1 . . . . A 21 THR HG22 . 36457 1 183 . 1 . 1 21 21 THR HG23 H 1 1.004 0.00 . 1 . . . . A 21 THR HG23 . 36457 1 184 . 1 . 1 22 22 CYS CA C 13 50.998 0.00 . 1 . . . . A 22 CYS CA . 36457 1 185 . 1 . 1 22 22 CYS CB C 13 37.591 0.00 . 1 . . . . A 22 CYS CB . 36457 1 186 . 1 . 1 22 22 CYS H H 1 7.684 0.00 . 1 . . . . A 22 CYS H . 36457 1 187 . 1 . 1 22 22 CYS HA H 1 4.928 0.00 . 1 . . . . A 22 CYS HA . 36457 1 188 . 1 . 1 22 22 CYS HB2 H 1 3.201 0.00 . . . . . . A 22 CYS HB2 . 36457 1 189 . 1 . 1 22 22 CYS HB3 H 1 2.877 0.00 . . . . . . A 22 CYS HB3 . 36457 1 190 . 1 . 1 23 23 PRO CA C 13 58.775 0.00 . 1 . . . . A 23 PRO CA . 36457 1 191 . 1 . 1 23 23 PRO CB C 13 28.114 0.01 . 1 . . . . A 23 PRO CB . 36457 1 192 . 1 . 1 23 23 PRO CD C 13 47.652 0.00 . 1 . . . . A 23 PRO CD . 36457 1 193 . 1 . 1 23 23 PRO CG C 13 24.702 0.00 . 1 . . . . A 23 PRO CG . 36457 1 194 . 1 . 1 23 23 PRO HA H 1 4.600 0.00 . 1 . . . . A 23 PRO HA . 36457 1 195 . 1 . 1 23 23 PRO HB2 H 1 2.255 0.00 . . . . . . A 23 PRO HB2 . 36457 1 196 . 1 . 1 23 23 PRO HB3 H 1 1.838 0.00 . . . . . . A 23 PRO HB3 . 36457 1 197 . 1 . 1 23 23 PRO HD2 H 1 3.790 0.00 . . . . . . A 23 PRO HD2 . 36457 1 198 . 1 . 1 23 23 PRO HD3 H 1 3.654 0.00 . . . . . . A 23 PRO HD3 . 36457 1 199 . 1 . 1 23 23 PRO HG2 H 1 1.985 0.00 . . . . . . A 23 PRO HG2 . 36457 1 200 . 1 . 1 23 23 PRO HG3 H 1 1.959 0.00 . . . . . . A 23 PRO HG3 . 36457 1 201 . 1 . 1 24 24 PRO CA C 13 60.179 0.00 . 1 . . . . A 24 PRO CA . 36457 1 202 . 1 . 1 24 24 PRO CB C 13 29.255 0.00 . 1 . . . . A 24 PRO CB . 36457 1 203 . 1 . 1 24 24 PRO CD C 13 47.669 0.00 . 1 . . . . A 24 PRO CD . 36457 1 204 . 1 . 1 24 24 PRO CG C 13 24.697 0.00 . 1 . . . . A 24 PRO CG . 36457 1 205 . 1 . 1 24 24 PRO HA H 1 4.311 0.00 . 1 . . . . A 24 PRO HA . 36457 1 206 . 1 . 1 24 24 PRO HB2 H 1 2.188 0.00 . . . . . . A 24 PRO HB2 . 36457 1 207 . 1 . 1 24 24 PRO HB3 H 1 1.841 0.00 . . . . . . A 24 PRO HB3 . 36457 1 208 . 1 . 1 24 24 PRO HD2 H 1 3.722 0.00 . . . . . . A 24 PRO HD2 . 36457 1 209 . 1 . 1 24 24 PRO HD3 H 1 3.567 0.00 . . . . . . A 24 PRO HD3 . 36457 1 210 . 1 . 1 24 24 PRO HG2 H 1 1.972 0.00 . . . . . . A 24 PRO HG2 . 36457 1 211 . 1 . 1 25 25 CYS CA C 13 52.026 0.00 . 1 . . . . A 25 CYS CA . 36457 1 212 . 1 . 1 25 25 CYS H H 1 8.197 0.00 . 1 . . . . A 25 CYS H . 36457 1 213 . 1 . 1 25 25 CYS HA H 1 4.583 0.00 . 1 . . . . A 25 CYS HA . 36457 1 214 . 1 . 1 25 25 CYS HB2 H 1 2.978 0.00 . . . . . . A 25 CYS HB2 . 36457 1 stop_ save_