################################### # 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 34641 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NOESY . . . 34641 1 2 '2D 1H-1H TOCSY' . . . 34641 1 3 '2D 1H-13C HSQC aliphatic' . . . 34641 1 4 '2D 1H-15N HSQC' . . . 34641 1 5 '2D 1H-1H COSY' . . . 34641 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 HA H 1 4.674 0.000 . 1 . . . . A 1 CYS HA . 34641 1 2 . 1 . 1 1 1 CYS HB2 H 1 3.115 0.000 . 2 . . . . A 1 CYS HB2 . 34641 1 3 . 1 . 1 1 1 CYS HB3 H 1 2.714 0.000 . 2 . . . . A 1 CYS HB3 . 34641 1 4 . 1 . 1 1 1 CYS CB C 13 35.194 0.000 . 1 . . . . A 1 CYS CB . 34641 1 5 . 1 . 1 2 2 ASN H H 1 10.058 0.000 . 1 . . . . A 2 ASN H . 34641 1 6 . 1 . 1 2 2 ASN HA H 1 4.869 0.000 . 1 . . . . A 2 ASN HA . 34641 1 7 . 1 . 1 2 2 ASN HB2 H 1 2.759 0.000 . 1 . . . . A 2 ASN HB2 . 34641 1 8 . 1 . 1 2 2 ASN HB3 H 1 3.152 0.000 . 1 . . . . A 2 ASN HB3 . 34641 1 9 . 1 . 1 2 2 ASN HD21 H 1 7.618 0.000 . 2 . . . . A 2 ASN HD21 . 34641 1 10 . 1 . 1 2 2 ASN HD22 H 1 7.016 0.000 . 2 . . . . A 2 ASN HD22 . 34641 1 11 . 1 . 1 2 2 ASN CB C 13 37.877 0.000 . 1 . . . . A 2 ASN CB . 34641 1 12 . 1 . 1 2 2 ASN N N 15 128.604 0.000 . 1 . . . . A 2 ASN N . 34641 1 13 . 1 . 1 2 2 ASN ND2 N 15 111.609 0.000 . 1 . . . . A 2 ASN ND2 . 34641 1 14 . 1 . 1 3 3 CYS H H 1 8.919 0.000 . 1 . . . . A 3 CYS H . 34641 1 15 . 1 . 1 3 3 CYS HA H 1 4.742 0.000 . 1 . . . . A 3 CYS HA . 34641 1 16 . 1 . 1 3 3 CYS HB2 H 1 2.787 0.000 . 1 . . . . A 3 CYS HB2 . 34641 1 17 . 1 . 1 3 3 CYS HB3 H 1 3.335 0.000 . 1 . . . . A 3 CYS HB3 . 34641 1 18 . 1 . 1 3 3 CYS CB C 13 34.191 0.000 . 1 . . . . A 3 CYS CB . 34641 1 19 . 1 . 1 3 3 CYS N N 15 120.127 0.000 . 1 . . . . A 3 CYS N . 34641 1 20 . 1 . 1 4 4 LYS H H 1 7.991 0.000 . 1 . . . . A 4 LYS H . 34641 1 21 . 1 . 1 4 4 LYS HA H 1 4.231 0.000 . 1 . . . . A 4 LYS HA . 34641 1 22 . 1 . 1 4 4 LYS HB2 H 1 1.850 0.000 . 2 . . . . A 4 LYS HB2 . 34641 1 23 . 1 . 1 4 4 LYS HB3 H 1 1.850 0.000 . 2 . . . . A 4 LYS HB3 . 34641 1 24 . 1 . 1 4 4 LYS HG2 H 1 1.525 0.000 . 2 . . . . A 4 LYS HG2 . 34641 1 25 . 1 . 1 4 4 LYS HG3 H 1 1.435 0.000 . 2 . . . . A 4 LYS HG3 . 34641 1 26 . 1 . 1 4 4 LYS HD2 H 1 1.699 0.000 . 2 . . . . A 4 LYS HD2 . 34641 1 27 . 1 . 1 4 4 LYS HD3 H 1 1.699 0.000 . 2 . . . . A 4 LYS HD3 . 34641 1 28 . 1 . 1 4 4 LYS HE2 H 1 3.011 0.000 . 2 . . . . A 4 LYS HE2 . 34641 1 29 . 1 . 1 4 4 LYS HE3 H 1 3.011 0.000 . 2 . . . . A 4 LYS HE3 . 34641 1 30 . 1 . 1 4 4 LYS HZ1 H 1 7.499 0.000 . 1 . . . . A 4 LYS HZ1 . 34641 1 31 . 1 . 1 4 4 LYS HZ2 H 1 7.499 0.000 . 1 . . . . A 4 LYS HZ2 . 34641 1 32 . 1 . 1 4 4 LYS HZ3 H 1 7.499 0.000 . 1 . . . . A 4 LYS HZ3 . 34641 1 33 . 1 . 1 4 4 LYS CA C 13 57.327 0.000 . 1 . . . . A 4 LYS CA . 34641 1 34 . 1 . 1 4 4 LYS CB C 13 31.824 0.000 . 1 . . . . A 4 LYS CB . 34641 1 35 . 1 . 1 4 4 LYS CG C 13 24.776 0.000 . 1 . . . . A 4 LYS CG . 34641 1 36 . 1 . 1 4 4 LYS CD C 13 28.435 0.000 . 1 . . . . A 4 LYS CD . 34641 1 37 . 1 . 1 4 4 LYS CE C 13 41.697 0.000 . 1 . . . . A 4 LYS CE . 34641 1 38 . 1 . 1 4 4 LYS N N 15 119.288 0.000 . 1 . . . . A 4 LYS N . 34641 1 39 . 1 . 1 5 5 ALA H H 1 7.152 0.000 . 1 . . . . A 5 ALA H . 34641 1 40 . 1 . 1 5 5 ALA HA H 1 4.527 0.000 . 1 . . . . A 5 ALA HA . 34641 1 41 . 1 . 1 5 5 ALA HB1 H 1 1.168 0.000 . 1 . . . . A 5 ALA HB1 . 34641 1 42 . 1 . 1 5 5 ALA HB2 H 1 1.168 0.000 . 1 . . . . A 5 ALA HB2 . 34641 1 43 . 1 . 1 5 5 ALA HB3 H 1 1.168 0.000 . 1 . . . . A 5 ALA HB3 . 34641 1 44 . 1 . 1 5 5 ALA CB C 13 17.625 0.000 . 1 . . . . A 5 ALA CB . 34641 1 45 . 1 . 1 5 5 ALA N N 15 119.932 0.000 . 1 . . . . A 5 ALA N . 34641 1 46 . 1 . 1 6 6 PRO HA H 1 4.490 0.000 . 1 . . . . A 6 PRO HA . 34641 1 47 . 1 . 1 6 6 PRO HB2 H 1 1.815 0.000 . 2 . . . . A 6 PRO HB2 . 34641 1 48 . 1 . 1 6 6 PRO HB3 H 1 1.973 0.000 . 2 . . . . A 6 PRO HB3 . 34641 1 49 . 1 . 1 6 6 PRO HG2 H 1 2.104 0.000 . 2 . . . . A 6 PRO HG2 . 34641 1 50 . 1 . 1 6 6 PRO HG3 H 1 1.996 0.000 . 2 . . . . A 6 PRO HG3 . 34641 1 51 . 1 . 1 6 6 PRO HD2 H 1 3.569 0.000 . 2 . . . . A 6 PRO HD2 . 34641 1 52 . 1 . 1 6 6 PRO HD3 H 1 3.424 0.000 . 2 . . . . A 6 PRO HD3 . 34641 1 53 . 1 . 1 6 6 PRO CA C 13 63.950 0.000 . 1 . . . . A 6 PRO CA . 34641 1 54 . 1 . 1 6 6 PRO CB C 13 31.737 0.000 . 1 . . . . A 6 PRO CB . 34641 1 55 . 1 . 1 6 6 PRO CG C 13 27.286 0.000 . 1 . . . . A 6 PRO CG . 34641 1 56 . 1 . 1 6 6 PRO CD C 13 49.167 0.000 . 1 . . . . A 6 PRO CD . 34641 1 57 . 1 . 1 7 7 GLU H H 1 10.325 0.000 . 1 . . . . A 7 GLU H . 34641 1 58 . 1 . 1 7 7 GLU HA H 1 4.218 0.000 . 1 . . . . A 7 GLU HA . 34641 1 59 . 1 . 1 7 7 GLU HB2 H 1 2.258 0.000 . 2 . . . . A 7 GLU HB2 . 34641 1 60 . 1 . 1 7 7 GLU HB3 H 1 2.159 0.000 . 2 . . . . A 7 GLU HB3 . 34641 1 61 . 1 . 1 7 7 GLU HG2 H 1 2.566 0.000 . 2 . . . . A 7 GLU HG2 . 34641 1 62 . 1 . 1 7 7 GLU HG3 H 1 2.566 0.000 . 2 . . . . A 7 GLU HG3 . 34641 1 63 . 1 . 1 7 7 GLU CA C 13 58.534 0.000 . 1 . . . . A 7 GLU CA . 34641 1 64 . 1 . 1 7 7 GLU CB C 13 29.430 0.000 . 1 . . . . A 7 GLU CB . 34641 1 65 . 1 . 1 7 7 GLU CG C 13 35.536 0.000 . 1 . . . . A 7 GLU CG . 34641 1 66 . 1 . 1 7 7 GLU N N 15 123.271 0.000 . 1 . . . . A 7 GLU N . 34641 1 67 . 1 . 1 8 8 THR H H 1 7.331 0.000 . 1 . . . . A 8 THR H . 34641 1 68 . 1 . 1 8 8 THR HA H 1 4.674 0.000 . 1 . . . . A 8 THR HA . 34641 1 69 . 1 . 1 8 8 THR HB H 1 4.629 0.000 . 1 . . . . A 8 THR HB . 34641 1 70 . 1 . 1 8 8 THR HG21 H 1 1.267 0.000 . 1 . . . . A 8 THR HG21 . 34641 1 71 . 1 . 1 8 8 THR HG22 H 1 1.267 0.000 . 1 . . . . A 8 THR HG22 . 34641 1 72 . 1 . 1 8 8 THR HG23 H 1 1.267 0.000 . 1 . . . . A 8 THR HG23 . 34641 1 73 . 1 . 1 8 8 THR CG2 C 13 21.750 0.000 . 1 . . . . A 8 THR CG2 . 34641 1 74 . 1 . 1 8 8 THR N N 15 106.448 0.000 . 1 . . . . A 8 THR N . 34641 1 75 . 1 . 1 9 9 ALA H H 1 8.959 0.000 . 1 . . . . A 9 ALA H . 34641 1 76 . 1 . 1 9 9 ALA HA H 1 4.201 0.000 . 1 . . . . A 9 ALA HA . 34641 1 77 . 1 . 1 9 9 ALA HB1 H 1 1.476 0.000 . 1 . . . . A 9 ALA HB1 . 34641 1 78 . 1 . 1 9 9 ALA HB2 H 1 1.476 0.000 . 1 . . . . A 9 ALA HB2 . 34641 1 79 . 1 . 1 9 9 ALA HB3 H 1 1.476 0.000 . 1 . . . . A 9 ALA HB3 . 34641 1 80 . 1 . 1 9 9 ALA CA C 13 54.599 0.000 . 1 . . . . A 9 ALA CA . 34641 1 81 . 1 . 1 9 9 ALA CB C 13 17.510 0.000 . 1 . . . . A 9 ALA CB . 34641 1 82 . 1 . 1 9 9 ALA N N 15 125.411 0.000 . 1 . . . . A 9 ALA N . 34641 1 83 . 1 . 1 10 10 LEU H H 1 8.139 0.000 . 1 . . . . A 10 LEU H . 34641 1 84 . 1 . 1 10 10 LEU HA H 1 4.107 0.000 . 1 . . . . A 10 LEU HA . 34641 1 85 . 1 . 1 10 10 LEU HB2 H 1 1.679 0.000 . 2 . . . . A 10 LEU HB2 . 34641 1 86 . 1 . 1 10 10 LEU HB3 H 1 1.617 0.000 . 2 . . . . A 10 LEU HB3 . 34641 1 87 . 1 . 1 10 10 LEU HG H 1 1.601 0.000 . 1 . . . . A 10 LEU HG . 34641 1 88 . 1 . 1 10 10 LEU HD11 H 1 0.948 0.000 . 2 . . . . A 10 LEU HD11 . 34641 1 89 . 1 . 1 10 10 LEU HD12 H 1 0.948 0.000 . 2 . . . . A 10 LEU HD12 . 34641 1 90 . 1 . 1 10 10 LEU HD13 H 1 0.948 0.000 . 2 . . . . A 10 LEU HD13 . 34641 1 91 . 1 . 1 10 10 LEU HD21 H 1 0.893 0.000 . 2 . . . . A 10 LEU HD21 . 34641 1 92 . 1 . 1 10 10 LEU HD22 H 1 0.893 0.000 . 2 . . . . A 10 LEU HD22 . 34641 1 93 . 1 . 1 10 10 LEU HD23 H 1 0.893 0.000 . 2 . . . . A 10 LEU HD23 . 34641 1 94 . 1 . 1 10 10 LEU CA C 13 57.729 0.000 . 1 . . . . A 10 LEU CA . 34641 1 95 . 1 . 1 10 10 LEU CB C 13 41.272 0.000 . 1 . . . . A 10 LEU CB . 34641 1 96 . 1 . 1 10 10 LEU CG C 13 26.784 0.000 . 1 . . . . A 10 LEU CG . 34641 1 97 . 1 . 1 10 10 LEU CD1 C 13 23.689 0.000 . 1 . . . . A 10 LEU CD1 . 34641 1 98 . 1 . 1 10 10 LEU CD2 C 13 24.032 0.000 . 1 . . . . A 10 LEU CD2 . 34641 1 99 . 1 . 1 10 10 LEU N N 15 119.288 0.000 . 1 . . . . A 10 LEU N . 34641 1 100 . 1 . 1 11 11 CYS H H 1 7.888 0.000 . 1 . . . . A 11 CYS H . 34641 1 101 . 1 . 1 11 11 CYS HA H 1 4.526 0.000 . 1 . . . . A 11 CYS HA . 34641 1 102 . 1 . 1 11 11 CYS HB2 H 1 3.226 0.000 . 2 . . . . A 11 CYS HB2 . 34641 1 103 . 1 . 1 11 11 CYS HB3 H 1 2.781 0.000 . 2 . . . . A 11 CYS HB3 . 34641 1 104 . 1 . 1 11 11 CYS CB C 13 34.783 0.000 . 1 . . . . A 11 CYS CB . 34641 1 105 . 1 . 1 11 11 CYS N N 15 117.228 0.000 . 1 . . . . A 11 CYS N . 34641 1 106 . 1 . 1 12 12 ALA H H 1 8.390 0.000 . 1 . . . . A 12 ALA H . 34641 1 107 . 1 . 1 12 12 ALA HA H 1 3.819 0.000 . 1 . . . . A 12 ALA HA . 34641 1 108 . 1 . 1 12 12 ALA HB1 H 1 1.492 0.000 . 1 . . . . A 12 ALA HB1 . 34641 1 109 . 1 . 1 12 12 ALA HB2 H 1 1.492 0.000 . 1 . . . . A 12 ALA HB2 . 34641 1 110 . 1 . 1 12 12 ALA HB3 H 1 1.492 0.000 . 1 . . . . A 12 ALA HB3 . 34641 1 111 . 1 . 1 12 12 ALA CA C 13 55.408 0.000 . 1 . . . . A 12 ALA CA . 34641 1 112 . 1 . 1 12 12 ALA CB C 13 17.015 0.000 . 1 . . . . A 12 ALA CB . 34641 1 113 . 1 . 1 12 12 ALA N N 15 123.135 0.000 . 1 . . . . A 12 ALA N . 34641 1 114 . 1 . 1 13 13 ARG H H 1 7.894 0.000 . 1 . . . . A 13 ARG H . 34641 1 115 . 1 . 1 13 13 ARG HA H 1 4.104 0.000 . 1 . . . . A 13 ARG HA . 34641 1 116 . 1 . 1 13 13 ARG HB2 H 1 1.980 0.000 . 2 . . . . A 13 ARG HB2 . 34641 1 117 . 1 . 1 13 13 ARG HB3 H 1 1.980 0.000 . 2 . . . . A 13 ARG HB3 . 34641 1 118 . 1 . 1 13 13 ARG HG2 H 1 1.790 0.000 . 2 . . . . A 13 ARG HG2 . 34641 1 119 . 1 . 1 13 13 ARG HG3 H 1 1.680 0.000 . 2 . . . . A 13 ARG HG3 . 34641 1 120 . 1 . 1 13 13 ARG HD2 H 1 3.226 0.000 . 2 . . . . A 13 ARG HD2 . 34641 1 121 . 1 . 1 13 13 ARG HD3 H 1 3.226 0.000 . 2 . . . . A 13 ARG HD3 . 34641 1 122 . 1 . 1 13 13 ARG HE H 1 7.214 0.000 . 1 . . . . A 13 ARG HE . 34641 1 123 . 1 . 1 13 13 ARG CA C 13 58.677 0.000 . 1 . . . . A 13 ARG CA . 34641 1 124 . 1 . 1 13 13 ARG CB C 13 29.623 0.000 . 1 . . . . A 13 ARG CB . 34641 1 125 . 1 . 1 13 13 ARG CG C 13 26.928 0.000 . 1 . . . . A 13 ARG CG . 34641 1 126 . 1 . 1 13 13 ARG CD C 13 43.095 0.000 . 1 . . . . A 13 ARG CD . 34641 1 127 . 1 . 1 13 13 ARG N N 15 117.118 0.000 . 1 . . . . A 13 ARG N . 34641 1 128 . 1 . 1 13 13 ARG NE N 15 84.493 0.000 . 1 . . . . A 13 ARG NE . 34641 1 129 . 1 . 1 14 14 ARG H H 1 8.173 0.000 . 1 . . . . A 14 ARG H . 34641 1 130 . 1 . 1 14 14 ARG HA H 1 4.127 0.000 . 1 . . . . A 14 ARG HA . 34641 1 131 . 1 . 1 14 14 ARG HB2 H 1 2.022 0.000 . 2 . . . . A 14 ARG HB2 . 34641 1 132 . 1 . 1 14 14 ARG HB3 H 1 2.022 0.000 . 2 . . . . A 14 ARG HB3 . 34641 1 133 . 1 . 1 14 14 ARG HG2 H 1 1.832 0.000 . 2 . . . . A 14 ARG HG2 . 34641 1 134 . 1 . 1 14 14 ARG HG3 H 1 1.725 0.000 . 2 . . . . A 14 ARG HG3 . 34641 1 135 . 1 . 1 14 14 ARG HD2 H 1 3.169 0.000 . 2 . . . . A 14 ARG HD2 . 34641 1 136 . 1 . 1 14 14 ARG HD3 H 1 3.169 0.000 . 2 . . . . A 14 ARG HD3 . 34641 1 137 . 1 . 1 14 14 ARG HE H 1 7.204 0.000 . 1 . . . . A 14 ARG HE . 34641 1 138 . 1 . 1 14 14 ARG CA C 13 58.543 0.000 . 1 . . . . A 14 ARG CA . 34641 1 139 . 1 . 1 14 14 ARG CB C 13 29.625 0.000 . 1 . . . . A 14 ARG CB . 34641 1 140 . 1 . 1 14 14 ARG CG C 13 26.982 0.000 . 1 . . . . A 14 ARG CG . 34641 1 141 . 1 . 1 14 14 ARG CD C 13 43.095 0.000 . 1 . . . . A 14 ARG CD . 34641 1 142 . 1 . 1 14 14 ARG N N 15 120.321 0.000 . 1 . . . . A 14 ARG N . 34641 1 143 . 1 . 1 14 14 ARG NE N 15 84.891 0.000 . 1 . . . . A 14 ARG NE . 34641 1 144 . 1 . 1 15 15 CYS H H 1 8.323 0.000 . 1 . . . . A 15 CYS H . 34641 1 145 . 1 . 1 15 15 CYS HA H 1 4.395 0.000 . 1 . . . . A 15 CYS HA . 34641 1 146 . 1 . 1 15 15 CYS HB2 H 1 3.060 0.000 . 2 . . . . A 15 CYS HB2 . 34641 1 147 . 1 . 1 15 15 CYS HB3 H 1 3.060 0.000 . 2 . . . . A 15 CYS HB3 . 34641 1 148 . 1 . 1 15 15 CYS CA C 13 57.892 0.000 . 1 . . . . A 15 CYS CA . 34641 1 149 . 1 . 1 15 15 CYS CB C 13 39.060 0.000 . 1 . . . . A 15 CYS CB . 34641 1 150 . 1 . 1 15 15 CYS N N 15 116.564 0.000 . 1 . . . . A 15 CYS N . 34641 1 151 . 1 . 1 16 16 GLN H H 1 7.641 0.000 . 1 . . . . A 16 GLN H . 34641 1 152 . 1 . 1 16 16 GLN HA H 1 4.243 0.000 . 1 . . . . A 16 GLN HA . 34641 1 153 . 1 . 1 16 16 GLN HB2 H 1 2.128 0.000 . 1 . . . . A 16 GLN HB2 . 34641 1 154 . 1 . 1 16 16 GLN HB3 H 1 2.195 0.000 . 1 . . . . A 16 GLN HB3 . 34641 1 155 . 1 . 1 16 16 GLN HG2 H 1 2.451 0.000 . 2 . . . . A 16 GLN HG2 . 34641 1 156 . 1 . 1 16 16 GLN HG3 H 1 2.534 0.000 . 2 . . . . A 16 GLN HG3 . 34641 1 157 . 1 . 1 16 16 GLN HE21 H 1 7.412 0.000 . 2 . . . . A 16 GLN HE21 . 34641 1 158 . 1 . 1 16 16 GLN HE22 H 1 6.795 0.000 . 2 . . . . A 16 GLN HE22 . 34641 1 159 . 1 . 1 16 16 GLN CA C 13 56.408 0.000 . 1 . . . . A 16 GLN CA . 34641 1 160 . 1 . 1 16 16 GLN CB C 13 28.470 0.000 . 1 . . . . A 16 GLN CB . 34641 1 161 . 1 . 1 16 16 GLN CG C 13 33.411 0.000 . 1 . . . . A 16 GLN CG . 34641 1 162 . 1 . 1 16 16 GLN N N 15 118.959 0.000 . 1 . . . . A 16 GLN N . 34641 1 163 . 1 . 1 16 16 GLN NE2 N 15 111.304 0.000 . 1 . . . . A 16 GLN NE2 . 34641 1 164 . 1 . 1 17 17 GLN H H 1 7.895 0.000 . 1 . . . . A 17 GLN H . 34641 1 165 . 1 . 1 17 17 GLN HA H 1 4.257 0.000 . 1 . . . . A 17 GLN HA . 34641 1 166 . 1 . 1 17 17 GLN HB2 H 1 2.065 0.000 . 2 . . . . A 17 GLN HB2 . 34641 1 167 . 1 . 1 17 17 GLN HB3 H 1 2.065 0.000 . 2 . . . . A 17 GLN HB3 . 34641 1 168 . 1 . 1 17 17 GLN HG2 H 1 2.376 0.000 . 2 . . . . A 17 GLN HG2 . 34641 1 169 . 1 . 1 17 17 GLN HG3 H 1 2.456 0.000 . 2 . . . . A 17 GLN HG3 . 34641 1 170 . 1 . 1 17 17 GLN HE21 H 1 7.447 0.000 . 2 . . . . A 17 GLN HE21 . 34641 1 171 . 1 . 1 17 17 GLN HE22 H 1 6.791 0.000 . 2 . . . . A 17 GLN HE22 . 34641 1 172 . 1 . 1 17 17 GLN CA C 13 55.930 0.000 . 1 . . . . A 17 GLN CA . 34641 1 173 . 1 . 1 17 17 GLN CB C 13 28.727 0.000 . 1 . . . . A 17 GLN CB . 34641 1 174 . 1 . 1 17 17 GLN CG C 13 33.438 0.000 . 1 . . . . A 17 GLN CG . 34641 1 175 . 1 . 1 17 17 GLN N N 15 119.438 0.000 . 1 . . . . A 17 GLN N . 34641 1 176 . 1 . 1 17 17 GLN NE2 N 15 111.650 0.000 . 1 . . . . A 17 GLN NE2 . 34641 1 177 . 1 . 1 18 18 HIS H H 1 8.318 0.000 . 1 . . . . A 18 HIS H . 34641 1 178 . 1 . 1 18 18 HIS HA H 1 4.718 0.000 . 1 . . . . A 18 HIS HA . 34641 1 179 . 1 . 1 18 18 HIS HB2 H 1 3.212 0.000 . 1 . . . . A 18 HIS HB2 . 34641 1 180 . 1 . 1 18 18 HIS HB3 H 1 3.345 0.000 . 1 . . . . A 18 HIS HB3 . 34641 1 181 . 1 . 1 18 18 HIS HD2 H 1 7.340 0.000 . 1 . . . . A 18 HIS HD2 . 34641 1 182 . 1 . 1 18 18 HIS HE1 H 1 8.621 0.000 . 1 . . . . A 18 HIS HE1 . 34641 1 183 . 1 . 1 18 18 HIS CB C 13 28.623 0.000 . 1 . . . . A 18 HIS CB . 34641 1 184 . 1 . 1 18 18 HIS N N 15 119.243 0.000 . 1 . . . . A 18 HIS N . 34641 1 stop_ save_