################################### # 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 18203 _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 . _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' . . . 18203 1 3 '2D 1H-1H NOESY' . . . 18203 1 4 '2D 1H-15N HSQC' . . . 18203 1 5 '2D 1H-13C HSQC' . . . 18203 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 VAL HA H 1 3.691 0.020 . 1 . . . A 1 VAL HA . 18203 1 2 . 1 1 1 1 VAL HB H 1 2.106 0.020 . 1 . . . A 1 VAL HB . 18203 1 3 . 1 1 1 1 VAL HG11 H 1 0.959 0.020 . 1 . . . A 1 VAL HG11 . 18203 1 4 . 1 1 1 1 VAL HG12 H 1 0.959 0.020 . 1 . . . A 1 VAL HG12 . 18203 1 5 . 1 1 1 1 VAL HG13 H 1 0.959 0.020 . 1 . . . A 1 VAL HG13 . 18203 1 6 . 1 1 1 1 VAL HG21 H 1 0.959 0.020 . 1 . . . A 1 VAL HG21 . 18203 1 7 . 1 1 1 1 VAL HG22 H 1 0.959 0.020 . 1 . . . A 1 VAL HG22 . 18203 1 8 . 1 1 1 1 VAL HG23 H 1 0.959 0.020 . 1 . . . A 1 VAL HG23 . 18203 1 9 . 1 1 1 1 VAL CA C 13 61.685 0.400 . 1 . . . A 1 VAL CA . 18203 1 10 . 1 1 1 1 VAL CB C 13 32.626 0.400 . 1 . . . A 1 VAL CB . 18203 1 11 . 1 1 1 1 VAL CG1 C 13 20.266 0.400 . 2 . . . A 1 VAL CG1 . 18203 1 12 . 1 1 1 1 VAL CG2 C 13 19.879 0.400 . 2 . . . A 1 VAL CG2 . 18203 1 13 . 1 1 2 2 GLY H H 1 8.729 0.020 . 1 . . . A 2 GLY H . 18203 1 14 . 1 1 2 2 GLY HA2 H 1 3.856 0.020 . 2 . . . A 2 GLY HA2 . 18203 1 15 . 1 1 2 2 GLY HA3 H 1 4.023 0.020 . 2 . . . A 2 GLY HA3 . 18203 1 16 . 1 1 2 2 GLY CA C 13 45.400 0.400 . 1 . . . A 2 GLY CA . 18203 1 17 . 1 1 2 2 GLY N N 15 113.101 0.400 . 1 . . . A 2 GLY N . 18203 1 18 . 1 1 3 3 GLU H H 1 8.866 0.020 . 1 . . . A 3 GLU H . 18203 1 19 . 1 1 3 3 GLU HA H 1 4.115 0.020 . 1 . . . A 3 GLU HA . 18203 1 20 . 1 1 3 3 GLU HB2 H 1 1.992 0.020 . 1 . . . A 3 GLU HB2 . 18203 1 21 . 1 1 3 3 GLU HB3 H 1 1.992 0.020 . 1 . . . A 3 GLU HB3 . 18203 1 22 . 1 1 3 3 GLU HG2 H 1 2.345 0.020 . 2 . . . A 3 GLU HG2 . 18203 1 23 . 1 1 3 3 GLU HG3 H 1 2.231 0.020 . 2 . . . A 3 GLU HG3 . 18203 1 24 . 1 1 3 3 GLU CA C 13 58.528 0.400 . 1 . . . A 3 GLU CA . 18203 1 25 . 1 1 3 3 GLU CB C 13 29.582 0.400 . 1 . . . A 3 GLU CB . 18203 1 26 . 1 1 3 3 GLU CG C 13 36.558 0.400 . 1 . . . A 3 GLU CG . 18203 1 27 . 1 1 3 3 GLU N N 15 121.656 0.400 . 1 . . . A 3 GLU N . 18203 1 28 . 1 1 4 4 ARG H H 1 8.778 0.020 . 1 . . . A 4 ARG H . 18203 1 29 . 1 1 4 4 ARG HA H 1 4.345 0.020 . 1 . . . A 4 ARG HA . 18203 1 30 . 1 1 4 4 ARG HB2 H 1 1.925 0.020 . 2 . . . A 4 ARG HB2 . 18203 1 31 . 1 1 4 4 ARG HB3 H 1 1.855 0.020 . 2 . . . A 4 ARG HB3 . 18203 1 32 . 1 1 4 4 ARG HG2 H 1 1.679 0.020 . 2 . . . A 4 ARG HG2 . 18203 1 33 . 1 1 4 4 ARG HG3 H 1 1.631 0.020 . 2 . . . A 4 ARG HG3 . 18203 1 34 . 1 1 4 4 ARG HD2 H 1 3.128 0.020 . 1 . . . A 4 ARG HD2 . 18203 1 35 . 1 1 4 4 ARG HD3 H 1 3.128 0.020 . 1 . . . A 4 ARG HD3 . 18203 1 36 . 1 1 4 4 ARG HE H 1 7.177 0.020 . 1 . . . A 4 ARG HE . 18203 1 37 . 1 1 4 4 ARG CA C 13 56.846 0.400 . 1 . . . A 4 ARG CA . 18203 1 38 . 1 1 4 4 ARG CB C 13 30.275 0.400 . 1 . . . A 4 ARG CB . 18203 1 39 . 1 1 4 4 ARG CG C 13 27.062 0.400 . 1 . . . A 4 ARG CG . 18203 1 40 . 1 1 4 4 ARG CD C 13 43.493 0.400 . 1 . . . A 4 ARG CD . 18203 1 41 . 1 1 4 4 ARG N N 15 121.188 0.400 . 1 . . . A 4 ARG N . 18203 1 42 . 1 1 4 4 ARG NE N 15 84.391 0.400 . 1 . . . A 4 ARG NE . 18203 1 43 . 1 1 5 5 CYS H H 1 8.483 0.020 . 1 . . . A 5 CYS H . 18203 1 44 . 1 1 5 5 CYS HA H 1 4.793 0.020 . 1 . . . A 5 CYS HA . 18203 1 45 . 1 1 5 5 CYS HB2 H 1 3.226 0.020 . 2 . . . A 5 CYS HB2 . 18203 1 46 . 1 1 5 5 CYS HB3 H 1 3.129 0.020 . 2 . . . A 5 CYS HB3 . 18203 1 47 . 1 1 5 5 CYS CA C 13 56.003 0.400 . 1 . . . A 5 CYS CA . 18203 1 48 . 1 1 5 5 CYS CB C 13 39.191 0.400 . 1 . . . A 5 CYS CB . 18203 1 49 . 1 1 5 5 CYS N N 15 118.492 0.400 . 1 . . . A 5 CYS N . 18203 1 50 . 1 1 6 6 CYS H H 1 8.506 0.020 . 1 . . . A 6 CYS H . 18203 1 51 . 1 1 6 6 CYS HA H 1 4.506 0.020 . 1 . . . A 6 CYS HA . 18203 1 52 . 1 1 6 6 CYS HB2 H 1 3.534 0.020 . 2 . . . A 6 CYS HB2 . 18203 1 53 . 1 1 6 6 CYS HB3 H 1 3.147 0.020 . 2 . . . A 6 CYS HB3 . 18203 1 54 . 1 1 6 6 CYS CA C 13 56.808 0.400 . 1 . . . A 6 CYS CA . 18203 1 55 . 1 1 6 6 CYS CB C 13 42.915 0.400 . 1 . . . A 6 CYS CB . 18203 1 56 . 1 1 6 6 CYS N N 15 114.976 0.400 . 1 . . . A 6 CYS N . 18203 1 57 . 1 1 7 7 LYS H H 1 8.003 0.020 . 1 . . . A 7 LYS H . 18203 1 58 . 1 1 7 7 LYS HA H 1 4.313 0.020 . 1 . . . A 7 LYS HA . 18203 1 59 . 1 1 7 7 LYS HB2 H 1 1.882 0.020 . 2 . . . A 7 LYS HB2 . 18203 1 60 . 1 1 7 7 LYS HB3 H 1 1.789 0.020 . 2 . . . A 7 LYS HB3 . 18203 1 61 . 1 1 7 7 LYS HG2 H 1 1.395 0.020 . 1 . . . A 7 LYS HG2 . 18203 1 62 . 1 1 7 7 LYS HG3 H 1 1.395 0.020 . 1 . . . A 7 LYS HG3 . 18203 1 63 . 1 1 7 7 LYS HD2 H 1 1.676 0.020 . 1 . . . A 7 LYS HD2 . 18203 1 64 . 1 1 7 7 LYS HD3 H 1 1.676 0.020 . 1 . . . A 7 LYS HD3 . 18203 1 65 . 1 1 7 7 LYS HE2 H 1 2.992 0.020 . 1 . . . A 7 LYS HE2 . 18203 1 66 . 1 1 7 7 LYS HE3 H 1 2.992 0.020 . 1 . . . A 7 LYS HE3 . 18203 1 67 . 1 1 7 7 LYS CA C 13 56.888 0.400 . 1 . . . A 7 LYS CA . 18203 1 68 . 1 1 7 7 LYS CB C 13 32.691 0.400 . 1 . . . A 7 LYS CB . 18203 1 69 . 1 1 7 7 LYS CG C 13 24.620 0.400 . 1 . . . A 7 LYS CG . 18203 1 70 . 1 1 7 7 LYS CD C 13 29.191 0.400 . 1 . . . A 7 LYS CD . 18203 1 71 . 1 1 7 7 LYS CE C 13 42.050 0.400 . 1 . . . A 7 LYS CE . 18203 1 72 . 1 1 7 7 LYS N N 15 120.758 0.400 . 1 . . . A 7 LYS N . 18203 1 73 . 1 1 8 8 ASN H H 1 8.635 0.020 . 1 . . . A 8 ASN H . 18203 1 74 . 1 1 8 8 ASN HA H 1 4.809 0.020 . 1 . . . A 8 ASN HA . 18203 1 75 . 1 1 8 8 ASN HB2 H 1 2.911 0.020 . 2 . . . A 8 ASN HB2 . 18203 1 76 . 1 1 8 8 ASN HB3 H 1 2.726 0.020 . 2 . . . A 8 ASN HB3 . 18203 1 77 . 1 1 8 8 ASN HD21 H 1 7.076 0.020 . 1 . . . A 8 ASN HD21 . 18203 1 78 . 1 1 8 8 ASN HD22 H 1 7.728 0.020 . 1 . . . A 8 ASN HD22 . 18203 1 79 . 1 1 8 8 ASN CA C 13 53.017 0.400 . 1 . . . A 8 ASN CA . 18203 1 80 . 1 1 8 8 ASN CB C 13 38.733 0.400 . 1 . . . A 8 ASN CB . 18203 1 81 . 1 1 8 8 ASN N N 15 118.023 0.400 . 1 . . . A 8 ASN N . 18203 1 82 . 1 1 8 8 ASN ND2 N 15 113.569 0.400 . 1 . . . A 8 ASN ND2 . 18203 1 83 . 1 1 9 9 GLY H H 1 8.273 0.020 . 1 . . . A 9 GLY H . 18203 1 84 . 1 1 9 9 GLY HA2 H 1 3.823 0.020 . 2 . . . A 9 GLY HA2 . 18203 1 85 . 1 1 9 9 GLY HA3 H 1 4.099 0.020 . 2 . . . A 9 GLY HA3 . 18203 1 86 . 1 1 9 9 GLY CA C 13 45.431 0.400 . 1 . . . A 9 GLY CA . 18203 1 87 . 1 1 9 9 GLY N N 15 108.647 0.400 . 1 . . . A 9 GLY N . 18203 1 88 . 1 1 10 10 LYS H H 1 8.595 0.020 . 1 . . . A 10 LYS H . 18203 1 89 . 1 1 10 10 LYS HA H 1 4.285 0.020 . 1 . . . A 10 LYS HA . 18203 1 90 . 1 1 10 10 LYS HB2 H 1 1.826 0.020 . 1 . . . A 10 LYS HB2 . 18203 1 91 . 1 1 10 10 LYS HB3 H 1 1.826 0.020 . 1 . . . A 10 LYS HB3 . 18203 1 92 . 1 1 10 10 LYS HG2 H 1 1.484 0.020 . 1 . . . A 10 LYS HG2 . 18203 1 93 . 1 1 10 10 LYS HG3 H 1 1.484 0.020 . 1 . . . A 10 LYS HG3 . 18203 1 94 . 1 1 10 10 LYS HD2 H 1 1.694 0.020 . 1 . . . A 10 LYS HD2 . 18203 1 95 . 1 1 10 10 LYS HD3 H 1 1.694 0.020 . 1 . . . A 10 LYS HD3 . 18203 1 96 . 1 1 10 10 LYS HE2 H 1 2.998 0.020 . 1 . . . A 10 LYS HE2 . 18203 1 97 . 1 1 10 10 LYS HE3 H 1 2.998 0.020 . 1 . . . A 10 LYS HE3 . 18203 1 98 . 1 1 10 10 LYS CA C 13 57.307 0.400 . 1 . . . A 10 LYS CA . 18203 1 99 . 1 1 10 10 LYS CB C 13 30.004 0.400 . 1 . . . A 10 LYS CB . 18203 1 100 . 1 1 10 10 LYS CG C 13 25.008 0.400 . 1 . . . A 10 LYS CG . 18203 1 101 . 1 1 10 10 LYS CD C 13 29.250 0.400 . 1 . . . A 10 LYS CD . 18203 1 102 . 1 1 10 10 LYS CE C 13 42.121 0.400 . 1 . . . A 10 LYS CE . 18203 1 103 . 1 1 10 10 LYS N N 15 121.969 0.400 . 1 . . . A 10 LYS N . 18203 1 104 . 1 1 11 11 ARG H H 1 8.377 0.020 . 1 . . . A 11 ARG H . 18203 1 105 . 1 1 11 11 ARG HA H 1 4.270 0.020 . 1 . . . A 11 ARG HA . 18203 1 106 . 1 1 11 11 ARG HB2 H 1 1.924 0.020 . 2 . . . A 11 ARG HB2 . 18203 1 107 . 1 1 11 11 ARG HB3 H 1 1.866 0.020 . 2 . . . A 11 ARG HB3 . 18203 1 108 . 1 1 11 11 ARG HG2 H 1 1.715 0.020 . 2 . . . A 11 ARG HG2 . 18203 1 109 . 1 1 11 11 ARG HG3 H 1 1.671 0.020 . 2 . . . A 11 ARG HG3 . 18203 1 110 . 1 1 11 11 ARG HD2 H 1 3.229 0.020 . 1 . . . A 11 ARG HD2 . 18203 1 111 . 1 1 11 11 ARG HD3 H 1 3.229 0.020 . 1 . . . A 11 ARG HD3 . 18203 1 112 . 1 1 11 11 ARG HE H 1 7.268 0.020 . 1 . . . A 11 ARG HE . 18203 1 113 . 1 1 11 11 ARG CA C 13 57.382 0.400 . 1 . . . A 11 ARG CA . 18203 1 114 . 1 1 11 11 ARG CB C 13 30.037 0.400 . 1 . . . A 11 ARG CB . 18203 1 115 . 1 1 11 11 ARG CG C 13 27.091 0.400 . 1 . . . A 11 ARG CG . 18203 1 116 . 1 1 11 11 ARG CD C 13 43.161 0.400 . 1 . . . A 11 ARG CD . 18203 1 117 . 1 1 11 11 ARG N N 15 119.937 0.400 . 1 . . . A 11 ARG N . 18203 1 118 . 1 1 11 11 ARG NE N 15 84.444 0.400 . 1 . . . A 11 ARG NE . 18203 1 119 . 1 1 12 12 GLY H H 1 8.045 0.020 . 1 . . . A 12 GLY H . 18203 1 120 . 1 1 12 12 GLY HA2 H 1 3.902 0.020 . 2 . . . A 12 GLY HA2 . 18203 1 121 . 1 1 12 12 GLY HA3 H 1 4.103 0.020 . 2 . . . A 12 GLY HA3 . 18203 1 122 . 1 1 12 12 GLY CA C 13 45.191 0.400 . 1 . . . A 12 GLY CA . 18203 1 123 . 1 1 12 12 GLY N N 15 107.866 0.400 . 1 . . . A 12 GLY N . 18203 1 124 . 1 1 13 13 CYS H H 1 8.174 0.020 . 1 . . . A 13 CYS H . 18203 1 125 . 1 1 13 13 CYS HA H 1 4.706 0.020 . 1 . . . A 13 CYS HA . 18203 1 126 . 1 1 13 13 CYS HB2 H 1 3.378 0.020 . 2 . . . A 13 CYS HB2 . 18203 1 127 . 1 1 13 13 CYS HB3 H 1 3.110 0.020 . 2 . . . A 13 CYS HB3 . 18203 1 128 . 1 1 13 13 CYS CA C 13 56.393 0.400 . 1 . . . A 13 CYS CA . 18203 1 129 . 1 1 13 13 CYS CB C 13 43.530 0.400 . 1 . . . A 13 CYS CB . 18203 1 130 . 1 1 13 13 CYS N N 15 118.687 0.400 . 1 . . . A 13 CYS N . 18203 1 131 . 1 1 14 14 GLY H H 1 8.595 0.020 . 1 . . . A 14 GLY H . 18203 1 132 . 1 1 14 14 GLY HA2 H 1 3.972 0.020 . 2 . . . A 14 GLY HA2 . 18203 1 133 . 1 1 14 14 GLY HA3 H 1 4.286 0.020 . 2 . . . A 14 GLY HA3 . 18203 1 134 . 1 1 14 14 GLY CA C 13 44.357 0.400 . 1 . . . A 14 GLY CA . 18203 1 135 . 1 1 14 14 GLY N N 15 111.655 0.400 . 1 . . . A 14 GLY N . 18203 1 136 . 1 1 15 15 ARG H H 1 8.603 0.020 . 1 . . . A 15 ARG H . 18203 1 137 . 1 1 15 15 ARG HA H 1 3.807 0.020 . 1 . . . A 15 ARG HA . 18203 1 138 . 1 1 15 15 ARG HB2 H 1 1.932 0.020 . 1 . . . A 15 ARG HB2 . 18203 1 139 . 1 1 15 15 ARG HB3 H 1 1.932 0.020 . 1 . . . A 15 ARG HB3 . 18203 1 140 . 1 1 15 15 ARG HG2 H 1 1.718 0.020 . 2 . . . A 15 ARG HG2 . 18203 1 141 . 1 1 15 15 ARG HG3 H 1 1.628 0.020 . 2 . . . A 15 ARG HG3 . 18203 1 142 . 1 1 15 15 ARG HD2 H 1 3.234 0.020 . 1 . . . A 15 ARG HD2 . 18203 1 143 . 1 1 15 15 ARG HD3 H 1 3.234 0.020 . 1 . . . A 15 ARG HD3 . 18203 1 144 . 1 1 15 15 ARG HE H 1 7.583 0.020 . 1 . . . A 15 ARG HE . 18203 1 145 . 1 1 15 15 ARG CA C 13 60.024 0.400 . 1 . . . A 15 ARG CA . 18203 1 146 . 1 1 15 15 ARG CB C 13 30.106 0.400 . 1 . . . A 15 ARG CB . 18203 1 147 . 1 1 15 15 ARG CG C 13 27.068 0.400 . 1 . . . A 15 ARG CG . 18203 1 148 . 1 1 15 15 ARG CD C 13 43.330 0.400 . 1 . . . A 15 ARG CD . 18203 1 149 . 1 1 15 15 ARG N N 15 119.859 0.400 . 1 . . . A 15 ARG N . 18203 1 150 . 1 1 15 15 ARG NE N 15 85.641 0.400 . 1 . . . A 15 ARG NE . 18203 1 151 . 1 1 16 16 TRP H H 1 8.771 0.020 . 1 . . . A 16 TRP H . 18203 1 152 . 1 1 16 16 TRP HA H 1 4.409 0.020 . 1 . . . A 16 TRP HA . 18203 1 153 . 1 1 16 16 TRP HB2 H 1 3.392 0.020 . 1 . . . A 16 TRP HB2 . 18203 1 154 . 1 1 16 16 TRP HB3 H 1 3.392 0.020 . 1 . . . A 16 TRP HB3 . 18203 1 155 . 1 1 16 16 TRP HD1 H 1 7.252 0.020 . 1 . . . A 16 TRP HD1 . 18203 1 156 . 1 1 16 16 TRP HE1 H 1 10.089 0.020 . 1 . . . A 16 TRP HE1 . 18203 1 157 . 1 1 16 16 TRP HE3 H 1 7.489 0.020 . 1 . . . A 16 TRP HE3 . 18203 1 158 . 1 1 16 16 TRP HZ2 H 1 7.092 0.020 . 1 . . . A 16 TRP HZ2 . 18203 1 159 . 1 1 16 16 TRP HZ3 H 1 7.134 0.020 . 1 . . . A 16 TRP HZ3 . 18203 1 160 . 1 1 16 16 TRP HH2 H 1 7.071 0.020 . 1 . . . A 16 TRP HH2 . 18203 1 161 . 1 1 16 16 TRP CA C 13 62.774 0.400 . 1 . . . A 16 TRP CA . 18203 1 162 . 1 1 16 16 TRP CB C 13 28.631 0.400 . 1 . . . A 16 TRP CB . 18203 1 163 . 1 1 16 16 TRP CD1 C 13 127.125 0.400 . 1 . . . A 16 TRP CD1 . 18203 1 164 . 1 1 16 16 TRP CE3 C 13 120.929 0.400 . 1 . . . A 16 TRP CE3 . 18203 1 165 . 1 1 16 16 TRP CZ2 C 13 114.426 0.400 . 1 . . . A 16 TRP CZ2 . 18203 1 166 . 1 1 16 16 TRP CZ3 C 13 122.268 0.400 . 1 . . . A 16 TRP CZ3 . 18203 1 167 . 1 1 16 16 TRP CH2 C 13 124.524 0.400 . 1 . . . A 16 TRP CH2 . 18203 1 168 . 1 1 16 16 TRP N N 15 118.804 0.400 . 1 . . . A 16 TRP N . 18203 1 169 . 1 1 16 16 TRP NE1 N 15 130.407 0.400 . 1 . . . A 16 TRP NE1 . 18203 1 170 . 1 1 17 17 CYS H H 1 9.036 0.020 . 1 . . . A 17 CYS H . 18203 1 171 . 1 1 17 17 CYS HA H 1 4.434 0.020 . 1 . . . A 17 CYS HA . 18203 1 172 . 1 1 17 17 CYS HB2 H 1 3.308 0.020 . 2 . . . A 17 CYS HB2 . 18203 1 173 . 1 1 17 17 CYS HB3 H 1 3.111 0.020 . 2 . . . A 17 CYS HB3 . 18203 1 174 . 1 1 17 17 CYS CA C 13 59.097 0.400 . 1 . . . A 17 CYS CA . 18203 1 175 . 1 1 17 17 CYS CB C 13 38.378 0.400 . 1 . . . A 17 CYS CB . 18203 1 176 . 1 1 17 17 CYS N N 15 118.922 0.400 . 1 . . . A 17 CYS N . 18203 1 177 . 1 1 18 18 ARG H H 1 8.843 0.020 . 1 . . . A 18 ARG H . 18203 1 178 . 1 1 18 18 ARG HA H 1 3.945 0.020 . 1 . . . A 18 ARG HA . 18203 1 179 . 1 1 18 18 ARG HB2 H 1 1.907 0.020 . 2 . . . A 18 ARG HB2 . 18203 1 180 . 1 1 18 18 ARG HB3 H 1 1.810 0.020 . 2 . . . A 18 ARG HB3 . 18203 1 181 . 1 1 18 18 ARG HG2 H 1 1.510 0.020 . 1 . . . A 18 ARG HG2 . 18203 1 182 . 1 1 18 18 ARG HG3 H 1 1.510 0.020 . 1 . . . A 18 ARG HG3 . 18203 1 183 . 1 1 18 18 ARG HD2 H 1 3.239 0.020 . 1 . . . A 18 ARG HD2 . 18203 1 184 . 1 1 18 18 ARG HD3 H 1 3.239 0.020 . 1 . . . A 18 ARG HD3 . 18203 1 185 . 1 1 18 18 ARG HE H 1 7.279 0.020 . 1 . . . A 18 ARG HE . 18203 1 186 . 1 1 18 18 ARG CA C 13 59.951 0.400 . 1 . . . A 18 ARG CA . 18203 1 187 . 1 1 18 18 ARG CB C 13 29.969 0.400 . 1 . . . A 18 ARG CB . 18203 1 188 . 1 1 18 18 ARG CG C 13 28.334 0.400 . 1 . . . A 18 ARG CG . 18203 1 189 . 1 1 18 18 ARG CD C 13 43.253 0.400 . 1 . . . A 18 ARG CD . 18203 1 190 . 1 1 18 18 ARG N N 15 122.086 0.400 . 1 . . . A 18 ARG N . 18203 1 191 . 1 1 18 18 ARG NE N 15 83.961 0.400 . 1 . . . A 18 ARG NE . 18203 1 192 . 1 1 19 19 ASP H H 1 7.696 0.020 . 1 . . . A 19 ASP H . 18203 1 193 . 1 1 19 19 ASP HA H 1 4.433 0.020 . 1 . . . A 19 ASP HA . 18203 1 194 . 1 1 19 19 ASP HB2 H 1 2.345 0.020 . 2 . . . A 19 ASP HB2 . 18203 1 195 . 1 1 19 19 ASP HB3 H 1 2.075 0.020 . 2 . . . A 19 ASP HB3 . 18203 1 196 . 1 1 19 19 ASP CA C 13 55.196 0.400 . 1 . . . A 19 ASP CA . 18203 1 197 . 1 1 19 19 ASP CB C 13 40.879 0.400 . 1 . . . A 19 ASP CB . 18203 1 198 . 1 1 19 19 ASP N N 15 116.226 0.400 . 1 . . . A 19 ASP N . 18203 1 199 . 1 1 20 20 HIS H H 1 7.545 0.020 . 1 . . . A 20 HIS H . 18203 1 200 . 1 1 20 20 HIS HA H 1 4.503 0.020 . 1 . . . A 20 HIS HA . 18203 1 201 . 1 1 20 20 HIS HB2 H 1 2.792 0.020 . 2 . . . A 20 HIS HB2 . 18203 1 202 . 1 1 20 20 HIS HB3 H 1 1.372 0.020 . 2 . . . A 20 HIS HB3 . 18203 1 203 . 1 1 20 20 HIS HD2 H 1 6.495 0.020 . 1 . . . A 20 HIS HD2 . 18203 1 204 . 1 1 20 20 HIS HE1 H 1 8.286 0.020 . 1 . . . A 20 HIS HE1 . 18203 1 205 . 1 1 20 20 HIS CA C 13 56.641 0.400 . 1 . . . A 20 HIS CA . 18203 1 206 . 1 1 20 20 HIS CB C 13 28.971 0.400 . 1 . . . A 20 HIS CB . 18203 1 207 . 1 1 20 20 HIS CD2 C 13 119.865 0.400 . 1 . . . A 20 HIS CD2 . 18203 1 208 . 1 1 20 20 HIS CE1 C 13 135.604 0.400 . 1 . . . A 20 HIS CE1 . 18203 1 209 . 1 1 20 20 HIS N N 15 113.726 0.400 . 1 . . . A 20 HIS N . 18203 1 210 . 1 1 21 21 SER H H 1 8.156 0.020 . 1 . . . A 21 SER H . 18203 1 211 . 1 1 21 21 SER HA H 1 4.865 0.020 . 1 . . . A 21 SER HA . 18203 1 212 . 1 1 21 21 SER HB2 H 1 4.029 0.020 . 2 . . . A 21 SER HB2 . 18203 1 213 . 1 1 21 21 SER HB3 H 1 3.965 0.020 . 2 . . . A 21 SER HB3 . 18203 1 214 . 1 1 21 21 SER CA C 13 57.689 0.400 . 1 . . . A 21 SER CA . 18203 1 215 . 1 1 21 21 SER CB C 13 66.139 0.400 . 1 . . . A 21 SER CB . 18203 1 216 . 1 1 21 21 SER N N 15 115.523 0.400 . 1 . . . A 21 SER N . 18203 1 217 . 1 1 22 22 ARG H H 1 9.179 0.020 . 1 . . . A 22 ARG H . 18203 1 218 . 1 1 22 22 ARG HA H 1 4.402 0.020 . 1 . . . A 22 ARG HA . 18203 1 219 . 1 1 22 22 ARG HB2 H 1 1.989 0.020 . 2 . . . A 22 ARG HB2 . 18203 1 220 . 1 1 22 22 ARG HB3 H 1 1.794 0.020 . 2 . . . A 22 ARG HB3 . 18203 1 221 . 1 1 22 22 ARG HG2 H 1 1.681 0.020 . 1 . . . A 22 ARG HG2 . 18203 1 222 . 1 1 22 22 ARG HG3 H 1 1.681 0.020 . 1 . . . A 22 ARG HG3 . 18203 1 223 . 1 1 22 22 ARG HD2 H 1 3.204 0.020 . 1 . . . A 22 ARG HD2 . 18203 1 224 . 1 1 22 22 ARG HD3 H 1 3.204 0.020 . 1 . . . A 22 ARG HD3 . 18203 1 225 . 1 1 22 22 ARG HE H 1 7.252 0.020 . 1 . . . A 22 ARG HE . 18203 1 226 . 1 1 22 22 ARG CA C 13 56.964 0.400 . 1 . . . A 22 ARG CA . 18203 1 227 . 1 1 22 22 ARG CB C 13 29.771 0.400 . 1 . . . A 22 ARG CB . 18203 1 228 . 1 1 22 22 ARG CG C 13 27.078 0.400 . 1 . . . A 22 ARG CG . 18203 1 229 . 1 1 22 22 ARG CD C 13 43.186 0.400 . 1 . . . A 22 ARG CD . 18203 1 230 . 1 1 22 22 ARG N N 15 125.719 0.400 . 1 . . . A 22 ARG N . 18203 1 231 . 1 1 22 22 ARG NE N 15 84.315 0.400 . 1 . . . A 22 ARG NE . 18203 1 232 . 1 1 23 23 CYS H H 1 8.354 0.020 . 1 . . . A 23 CYS H . 18203 1 233 . 1 1 23 23 CYS HA H 1 4.504 0.020 . 1 . . . A 23 CYS HA . 18203 1 234 . 1 1 23 23 CYS HB2 H 1 3.421 0.020 . 2 . . . A 23 CYS HB2 . 18203 1 235 . 1 1 23 23 CYS HB3 H 1 3.287 0.020 . 2 . . . A 23 CYS HB3 . 18203 1 236 . 1 1 23 23 CYS CA C 13 56.750 0.400 . 1 . . . A 23 CYS CA . 18203 1 237 . 1 1 23 23 CYS CB C 13 44.086 0.400 . 1 . . . A 23 CYS CB . 18203 1 238 . 1 1 23 23 CYS N N 15 116.539 0.400 . 1 . . . A 23 CYS N . 18203 1 239 . 1 1 24 24 CYS H H 1 7.780 0.020 . 1 . . . A 24 CYS H . 18203 1 240 . 1 1 24 24 CYS HA H 1 4.649 0.020 . 1 . . . A 24 CYS HA . 18203 1 241 . 1 1 24 24 CYS HB2 H 1 3.182 0.020 . 2 . . . A 24 CYS HB2 . 18203 1 242 . 1 1 24 24 CYS HB3 H 1 2.952 0.020 . 2 . . . A 24 CYS HB3 . 18203 1 243 . 1 1 24 24 CYS CA C 13 55.445 0.400 . 1 . . . A 24 CYS CA . 18203 1 244 . 1 1 24 24 CYS CB C 13 41.605 0.400 . 1 . . . A 24 CYS CB . 18203 1 245 . 1 1 24 24 CYS N N 15 119.195 0.400 . 1 . . . A 24 CYS N . 18203 1 stop_ save_