################################### # 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 19295 _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' . . . 19295 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 LYS HA H 1 4.033 0.005 . 1 . . . A 1 LYS HA . 19295 1 2 . 1 1 1 1 LYS HB2 H 1 1.901 0.005 . 2 . . . A 1 LYS HB2 . 19295 1 3 . 1 1 1 1 LYS HB3 H 1 1.901 0.005 . 2 . . . A 1 LYS HB3 . 19295 1 4 . 1 1 1 1 LYS HG2 H 1 1.464 0.005 . 2 . . . A 1 LYS HG2 . 19295 1 5 . 1 1 1 1 LYS HG3 H 1 1.517 0.005 . 2 . . . A 1 LYS HG3 . 19295 1 6 . 1 1 1 1 LYS HD2 H 1 1.727 0.005 . 2 . . . A 1 LYS HD2 . 19295 1 7 . 1 1 1 1 LYS HD3 H 1 1.727 0.005 . 2 . . . A 1 LYS HD3 . 19295 1 8 . 1 1 1 1 LYS HE2 H 1 3.029 0.005 . 2 . . . A 1 LYS HE2 . 19295 1 9 . 1 1 1 1 LYS HE3 H 1 3.029 0.005 . 2 . . . A 1 LYS HE3 . 19295 1 10 . 1 1 2 2 LEU HA H 1 4.619 0.005 . 1 . . . A 2 LEU HA . 19295 1 11 . 1 1 2 2 LEU HB2 H 1 1.439 0.005 . 2 . . . A 2 LEU HB2 . 19295 1 12 . 1 1 2 2 LEU HB3 H 1 1.820 0.005 . 2 . . . A 2 LEU HB3 . 19295 1 13 . 1 1 2 2 LEU HG H 1 1.909 0.005 . 1 . . . A 2 LEU HG . 19295 1 14 . 1 1 2 2 LEU HD11 H 1 0.808 0.005 . 2 . . . A 2 LEU HD11 . 19295 1 15 . 1 1 2 2 LEU HD12 H 1 0.808 0.005 . 2 . . . A 2 LEU HD12 . 19295 1 16 . 1 1 2 2 LEU HD13 H 1 0.808 0.005 . 2 . . . A 2 LEU HD13 . 19295 1 17 . 1 1 2 2 LEU HD21 H 1 1.078 0.005 . 2 . . . A 2 LEU HD21 . 19295 1 18 . 1 1 2 2 LEU HD22 H 1 1.078 0.005 . 2 . . . A 2 LEU HD22 . 19295 1 19 . 1 1 2 2 LEU HD23 H 1 1.078 0.005 . 2 . . . A 2 LEU HD23 . 19295 1 20 . 1 1 3 3 PRO HA H 1 4.861 0.005 . 1 . . . A 3 PRO HA . 19295 1 21 . 1 1 3 3 PRO HB2 H 1 1.661 0.005 . 2 . . . A 3 PRO HB2 . 19295 1 22 . 1 1 3 3 PRO HB3 H 1 2.628 0.005 . 2 . . . A 3 PRO HB3 . 19295 1 23 . 1 1 3 3 PRO HG2 H 1 1.813 0.005 . 2 . . . A 3 PRO HG2 . 19295 1 24 . 1 1 3 3 PRO HG3 H 1 2.008 0.005 . 2 . . . A 3 PRO HG3 . 19295 1 25 . 1 1 3 3 PRO HD2 H 1 3.037 0.005 . 2 . . . A 3 PRO HD2 . 19295 1 26 . 1 1 3 3 PRO HD3 H 1 3.726 0.005 . 2 . . . A 3 PRO HD3 . 19295 1 27 . 1 1 4 4 PRO HA H 1 4.355 0.005 . 1 . . . A 4 PRO HA . 19295 1 28 . 1 1 4 4 PRO HB2 H 1 1.861 0.005 . 2 . . . A 4 PRO HB2 . 19295 1 29 . 1 1 4 4 PRO HB3 H 1 2.341 0.005 . 2 . . . A 4 PRO HB3 . 19295 1 30 . 1 1 4 4 PRO HG2 H 1 2.054 0.005 . 2 . . . A 4 PRO HG2 . 19295 1 31 . 1 1 4 4 PRO HG3 H 1 2.152 0.005 . 2 . . . A 4 PRO HG3 . 19295 1 32 . 1 1 4 4 PRO HD2 H 1 3.647 0.005 . 2 . . . A 4 PRO HD2 . 19295 1 33 . 1 1 4 4 PRO HD3 H 1 3.915 0.005 . 2 . . . A 4 PRO HD3 . 19295 1 34 . 1 1 5 5 GLY H H 1 8.818 0.005 . 1 . . . A 5 GLY H . 19295 1 35 . 1 1 5 5 GLY HA2 H 1 3.284 0.005 . 2 . . . A 5 GLY HA2 . 19295 1 36 . 1 1 5 5 GLY HA3 H 1 4.006 0.005 . 2 . . . A 5 GLY HA3 . 19295 1 37 . 1 1 6 6 TRP H H 1 7.339 0.005 . 1 . . . A 6 TRP H . 19295 1 38 . 1 1 6 6 TRP HA H 1 5.187 0.005 . 1 . . . A 6 TRP HA . 19295 1 39 . 1 1 6 6 TRP HB2 H 1 2.948 0.005 . 2 . . . A 6 TRP HB2 . 19295 1 40 . 1 1 6 6 TRP HB3 H 1 3.231 0.005 . 2 . . . A 6 TRP HB3 . 19295 1 41 . 1 1 6 6 TRP HD1 H 1 6.950 0.005 . 1 . . . A 6 TRP HD1 . 19295 1 42 . 1 1 6 6 TRP HE1 H 1 10.681 0.005 . 1 . . . A 6 TRP HE1 . 19295 1 43 . 1 1 6 6 TRP HE3 H 1 7.382 0.005 . 1 . . . A 6 TRP HE3 . 19295 1 44 . 1 1 6 6 TRP HZ2 H 1 7.425 0.005 . 1 . . . A 6 TRP HZ2 . 19295 1 45 . 1 1 6 6 TRP HZ3 H 1 6.913 0.005 . 1 . . . A 6 TRP HZ3 . 19295 1 46 . 1 1 6 6 TRP HH2 H 1 6.992 0.005 . 1 . . . A 6 TRP HH2 . 19295 1 47 . 1 1 7 7 GLU H H 1 9.755 0.005 . 1 . . . A 7 GLU H . 19295 1 48 . 1 1 7 7 GLU HA H 1 4.781 0.005 . 1 . . . A 7 GLU HA . 19295 1 49 . 1 1 7 7 GLU HB2 H 1 2.182 0.005 . 2 . . . A 7 GLU HB2 . 19295 1 50 . 1 1 7 7 GLU HB3 H 1 2.322 0.005 . 2 . . . A 7 GLU HB3 . 19295 1 51 . 1 1 7 7 GLU HG2 H 1 2.337 0.005 . 2 . . . A 7 GLU HG2 . 19295 1 52 . 1 1 7 7 GLU HG3 H 1 2.448 0.005 . 2 . . . A 7 GLU HG3 . 19295 1 53 . 1 1 8 8 LYS H H 1 8.967 0.005 . 1 . . . A 8 LYS H . 19295 1 54 . 1 1 8 8 LYS HA H 1 4.349 0.005 . 1 . . . A 8 LYS HA . 19295 1 55 . 1 1 8 8 LYS HB2 H 1 1.614 0.005 . 2 . . . A 8 LYS HB2 . 19295 1 56 . 1 1 8 8 LYS HB3 H 1 1.778 0.005 . 2 . . . A 8 LYS HB3 . 19295 1 57 . 1 1 8 8 LYS HG2 H 1 0.976 0.005 . 2 . . . A 8 LYS HG2 . 19295 1 58 . 1 1 8 8 LYS HG3 H 1 1.050 0.005 . 2 . . . A 8 LYS HG3 . 19295 1 59 . 1 1 8 8 LYS HD2 H 1 1.643 0.005 . 2 . . . A 8 LYS HD2 . 19295 1 60 . 1 1 8 8 LYS HD3 H 1 1.734 0.005 . 2 . . . A 8 LYS HD3 . 19295 1 61 . 1 1 8 8 LYS HE2 H 1 2.927 0.005 . 2 . . . A 8 LYS HE2 . 19295 1 62 . 1 1 8 8 LYS HE3 H 1 2.927 0.005 . 2 . . . A 8 LYS HE3 . 19295 1 63 . 1 1 9 9 ARG H H 1 8.840 0.005 . 1 . . . A 9 ARG H . 19295 1 64 . 1 1 9 9 ARG HA H 1 4.436 0.005 . 1 . . . A 9 ARG HA . 19295 1 65 . 1 1 9 9 ARG HB2 H 1 0.026 0.005 . 2 . . . A 9 ARG HB2 . 19295 1 66 . 1 1 9 9 ARG HB3 H 1 0.026 0.005 . 2 . . . A 9 ARG HB3 . 19295 1 67 . 1 1 9 9 ARG HG2 H 1 1.167 0.005 . 2 . . . A 9 ARG HG2 . 19295 1 68 . 1 1 9 9 ARG HG3 H 1 1.342 0.005 . 2 . . . A 9 ARG HG3 . 19295 1 69 . 1 1 9 9 ARG HD2 H 1 2.527 0.005 . 2 . . . A 9 ARG HD2 . 19295 1 70 . 1 1 9 9 ARG HD3 H 1 2.825 0.005 . 2 . . . A 9 ARG HD3 . 19295 1 71 . 1 1 9 9 ARG HE H 1 6.992 0.005 . 1 . . . A 9 ARG HE . 19295 1 72 . 1 1 10 10 MET H H 1 8.088 0.005 . 1 . . . A 10 MET H . 19295 1 73 . 1 1 10 10 MET HA H 1 5.216 0.005 . 1 . . . A 10 MET HA . 19295 1 74 . 1 1 10 10 MET HB2 H 1 1.844 0.005 . 2 . . . A 10 MET HB2 . 19295 1 75 . 1 1 10 10 MET HB3 H 1 1.931 0.005 . 2 . . . A 10 MET HB3 . 19295 1 76 . 1 1 10 10 MET HG2 H 1 2.288 0.005 . 2 . . . A 10 MET HG2 . 19295 1 77 . 1 1 10 10 MET HG3 H 1 2.355 0.005 . 2 . . . A 10 MET HG3 . 19295 1 78 . 1 1 10 10 MET HE1 H 1 2.024 0.005 . 1 . . . A 10 MET HE1 . 19295 1 79 . 1 1 10 10 MET HE2 H 1 2.024 0.005 . 1 . . . A 10 MET HE2 . 19295 1 80 . 1 1 10 10 MET HE3 H 1 2.024 0.005 . 1 . . . A 10 MET HE3 . 19295 1 81 . 1 1 11 11 PHE H H 1 9.269 0.005 . 1 . . . A 11 PHE H . 19295 1 82 . 1 1 11 11 PHE HA H 1 4.704 0.005 . 1 . . . A 11 PHE HA . 19295 1 83 . 1 1 11 11 PHE HB2 H 1 3.239 0.005 . 2 . . . A 11 PHE HB2 . 19295 1 84 . 1 1 11 11 PHE HB3 H 1 3.273 0.005 . 2 . . . A 11 PHE HB3 . 19295 1 85 . 1 1 11 11 PHE HD1 H 1 7.156 0.005 . 3 . . . A 11 PHE HD1 . 19295 1 86 . 1 1 11 11 PHE HD2 H 1 7.156 0.005 . 3 . . . A 11 PHE HD2 . 19295 1 87 . 1 1 11 11 PHE HE1 H 1 7.220 0.005 . 3 . . . A 11 PHE HE1 . 19295 1 88 . 1 1 11 11 PHE HE2 H 1 7.220 0.005 . 3 . . . A 11 PHE HE2 . 19295 1 89 . 1 1 11 11 PHE HZ H 1 7.182 0.005 . 1 . . . A 11 PHE HZ . 19295 1 90 . 1 1 12 12 ARG H H 1 8.845 0.005 . 1 . . . A 12 ARG H . 19295 1 91 . 1 1 12 12 ARG HA H 1 4.118 0.005 . 1 . . . A 12 ARG HA . 19295 1 92 . 1 1 12 12 ARG HB2 H 1 1.991 0.005 . 2 . . . A 12 ARG HB2 . 19295 1 93 . 1 1 12 12 ARG HB3 H 1 1.991 0.005 . 2 . . . A 12 ARG HB3 . 19295 1 94 . 1 1 12 12 ARG HG2 H 1 1.738 0.005 . 2 . . . A 12 ARG HG2 . 19295 1 95 . 1 1 12 12 ARG HG3 H 1 1.738 0.005 . 2 . . . A 12 ARG HG3 . 19295 1 96 . 1 1 12 12 ARG HD2 H 1 3.251 0.005 . 2 . . . A 12 ARG HD2 . 19295 1 97 . 1 1 12 12 ARG HD3 H 1 3.251 0.005 . 2 . . . A 12 ARG HD3 . 19295 1 98 . 1 1 12 12 ARG HE H 1 7.393 0.005 . 1 . . . A 12 ARG HE . 19295 1 99 . 1 1 13 13 SER H H 1 7.971 0.005 . 1 . . . A 13 SER H . 19295 1 100 . 1 1 13 13 SER HA H 1 4.312 0.005 . 1 . . . A 13 SER HA . 19295 1 101 . 1 1 13 13 SER HB2 H 1 3.995 0.005 . 2 . . . A 13 SER HB2 . 19295 1 102 . 1 1 13 13 SER HB3 H 1 4.124 0.005 . 2 . . . A 13 SER HB3 . 19295 1 103 . 1 1 14 14 ASN H H 1 7.480 0.005 . 1 . . . A 14 ASN H . 19295 1 104 . 1 1 14 14 ASN HA H 1 4.875 0.005 . 1 . . . A 14 ASN HA . 19295 1 105 . 1 1 14 14 ASN HB2 H 1 2.838 0.005 . 2 . . . A 14 ASN HB2 . 19295 1 106 . 1 1 14 14 ASN HB3 H 1 3.175 0.005 . 2 . . . A 14 ASN HB3 . 19295 1 107 . 1 1 14 14 ASN HD21 H 1 7.705 0.005 . 2 . . . A 14 ASN HD21 . 19295 1 108 . 1 1 14 14 ASN HD22 H 1 6.689 0.005 . 2 . . . A 14 ASN HD22 . 19295 1 109 . 1 1 15 15 GLY H H 1 8.361 0.005 . 1 . . . A 15 GLY H . 19295 1 110 . 1 1 15 15 GLY HA2 H 1 3.995 0.005 . 2 . . . A 15 GLY HA2 . 19295 1 111 . 1 1 15 15 GLY HA3 H 1 4.124 0.005 . 2 . . . A 15 GLY HA3 . 19295 1 112 . 1 1 16 16 THR H H 1 7.971 0.005 . 1 . . . A 16 THR H . 19295 1 113 . 1 1 16 16 THR HA H 1 4.312 0.005 . 1 . . . A 16 THR HA . 19295 1 114 . 1 1 16 16 THR HB H 1 4.325 0.005 . 1 . . . A 16 THR HB . 19295 1 115 . 1 1 16 16 THR HG21 H 1 1.384 0.005 . 1 . . . A 16 THR HG21 . 19295 1 116 . 1 1 16 16 THR HG22 H 1 1.384 0.005 . 1 . . . A 16 THR HG22 . 19295 1 117 . 1 1 16 16 THR HG23 H 1 1.384 0.005 . 1 . . . A 16 THR HG23 . 19295 1 118 . 1 1 17 17 VAL H H 1 8.632 0.005 . 1 . . . A 17 VAL H . 19295 1 119 . 1 1 17 17 VAL HA H 1 4.718 0.005 . 1 . . . A 17 VAL HA . 19295 1 120 . 1 1 17 17 VAL HB H 1 1.980 0.005 . 1 . . . A 17 VAL HB . 19295 1 121 . 1 1 17 17 VAL HG11 H 1 0.806 0.005 . 2 . . . A 17 VAL HG11 . 19295 1 122 . 1 1 17 17 VAL HG12 H 1 0.806 0.005 . 2 . . . A 17 VAL HG12 . 19295 1 123 . 1 1 17 17 VAL HG13 H 1 0.806 0.005 . 2 . . . A 17 VAL HG13 . 19295 1 124 . 1 1 17 17 VAL HG21 H 1 1.055 0.005 . 2 . . . A 17 VAL HG21 . 19295 1 125 . 1 1 17 17 VAL HG22 H 1 1.055 0.005 . 2 . . . A 17 VAL HG22 . 19295 1 126 . 1 1 17 17 VAL HG23 H 1 1.055 0.005 . 2 . . . A 17 VAL HG23 . 19295 1 127 . 1 1 18 18 TYR H H 1 8.691 0.005 . 1 . . . A 18 TYR H . 19295 1 128 . 1 1 18 18 TYR HA H 1 4.839 0.005 . 1 . . . A 18 TYR HA . 19295 1 129 . 1 1 18 18 TYR HB2 H 1 2.637 0.005 . 2 . . . A 18 TYR HB2 . 19295 1 130 . 1 1 18 18 TYR HB3 H 1 2.918 0.005 . 2 . . . A 18 TYR HB3 . 19295 1 131 . 1 1 18 18 TYR HD1 H 1 6.657 0.005 . 3 . . . A 18 TYR HD1 . 19295 1 132 . 1 1 18 18 TYR HD2 H 1 6.657 0.005 . 3 . . . A 18 TYR HD2 . 19295 1 133 . 1 1 18 18 TYR HE1 H 1 6.013 0.005 . 3 . . . A 18 TYR HE1 . 19295 1 134 . 1 1 18 18 TYR HE2 H 1 6.013 0.005 . 3 . . . A 18 TYR HE2 . 19295 1 135 . 1 1 19 19 TYR H H 1 9.126 0.005 . 1 . . . A 19 TYR H . 19295 1 136 . 1 1 19 19 TYR HA H 1 5.299 0.005 . 1 . . . A 19 TYR HA . 19295 1 137 . 1 1 19 19 TYR HB2 H 1 2.649 0.005 . 2 . . . A 19 TYR HB2 . 19295 1 138 . 1 1 19 19 TYR HB3 H 1 2.932 0.005 . 2 . . . A 19 TYR HB3 . 19295 1 139 . 1 1 19 19 TYR HD1 H 1 6.801 0.005 . 3 . . . A 19 TYR HD1 . 19295 1 140 . 1 1 19 19 TYR HD2 H 1 6.801 0.005 . 3 . . . A 19 TYR HD2 . 19295 1 141 . 1 1 19 19 TYR HE1 H 1 6.727 0.005 . 3 . . . A 19 TYR HE1 . 19295 1 142 . 1 1 19 19 TYR HE2 H 1 6.727 0.005 . 3 . . . A 19 TYR HE2 . 19295 1 143 . 1 1 20 20 PHE H H 1 9.271 0.005 . 1 . . . A 20 PHE H . 19295 1 144 . 1 1 20 20 PHE HA H 1 5.666 0.005 . 1 . . . A 20 PHE HA . 19295 1 145 . 1 1 20 20 PHE HB2 H 1 2.434 0.005 . 2 . . . A 20 PHE HB2 . 19295 1 146 . 1 1 20 20 PHE HB3 H 1 2.840 0.005 . 2 . . . A 20 PHE HB3 . 19295 1 147 . 1 1 20 20 PHE HD1 H 1 6.867 0.005 . 3 . . . A 20 PHE HD1 . 19295 1 148 . 1 1 20 20 PHE HD2 H 1 6.867 0.005 . 3 . . . A 20 PHE HD2 . 19295 1 149 . 1 1 20 20 PHE HE1 H 1 6.910 0.005 . 3 . . . A 20 PHE HE1 . 19295 1 150 . 1 1 20 20 PHE HE2 H 1 6.910 0.005 . 3 . . . A 20 PHE HE2 . 19295 1 151 . 1 1 20 20 PHE HZ H 1 7.236 0.005 . 1 . . . A 20 PHE HZ . 19295 1 152 . 1 1 21 21 ASN H H 1 8.076 0.005 . 1 . . . A 21 ASN H . 19295 1 153 . 1 1 21 21 ASN HA H 1 4.400 0.005 . 1 . . . A 21 ASN HA . 19295 1 154 . 1 1 21 21 ASN HB2 H 1 -0.773 0.005 . 2 . . . A 21 ASN HB2 . 19295 1 155 . 1 1 21 21 ASN HB3 H 1 1.924 0.005 . 2 . . . A 21 ASN HB3 . 19295 1 156 . 1 1 21 21 ASN HD21 H 1 6.546 0.005 . 2 . . . A 21 ASN HD21 . 19295 1 157 . 1 1 21 21 ASN HD22 H 1 4.010 0.005 . 2 . . . A 21 ASN HD22 . 19295 1 158 . 1 1 22 22 HIS H H 1 8.155 0.005 . 1 . . . A 22 HIS H . 19295 1 159 . 1 1 22 22 HIS HA H 1 4.092 0.005 . 1 . . . A 22 HIS HA . 19295 1 160 . 1 1 22 22 HIS HB2 H 1 3.086 0.005 . 2 . . . A 22 HIS HB2 . 19295 1 161 . 1 1 22 22 HIS HB3 H 1 3.274 0.005 . 2 . . . A 22 HIS HB3 . 19295 1 162 . 1 1 22 22 HIS HD2 H 1 7.042 0.005 . 1 . . . A 22 HIS HD2 . 19295 1 163 . 1 1 22 22 HIS HE1 H 1 8.144 0.005 . 1 . . . A 22 HIS HE1 . 19295 1 164 . 1 1 23 23 ILE H H 1 8.337 0.005 . 1 . . . A 23 ILE H . 19295 1 165 . 1 1 23 23 ILE HA H 1 3.829 0.005 . 1 . . . A 23 ILE HA . 19295 1 166 . 1 1 23 23 ILE HB H 1 1.986 0.005 . 1 . . . A 23 ILE HB . 19295 1 167 . 1 1 23 23 ILE HG12 H 1 0.945 0.005 . 2 . . . A 23 ILE HG12 . 19295 1 168 . 1 1 23 23 ILE HG13 H 1 1.261 0.005 . 2 . . . A 23 ILE HG13 . 19295 1 169 . 1 1 23 23 ILE HG21 H 1 0.765 0.005 . 1 . . . A 23 ILE HG21 . 19295 1 170 . 1 1 23 23 ILE HG22 H 1 0.765 0.005 . 1 . . . A 23 ILE HG22 . 19295 1 171 . 1 1 23 23 ILE HG23 H 1 0.765 0.005 . 1 . . . A 23 ILE HG23 . 19295 1 172 . 1 1 23 23 ILE HD11 H 1 0.718 0.005 . 1 . . . A 23 ILE HD11 . 19295 1 173 . 1 1 23 23 ILE HD12 H 1 0.718 0.005 . 1 . . . A 23 ILE HD12 . 19295 1 174 . 1 1 23 23 ILE HD13 H 1 0.718 0.005 . 1 . . . A 23 ILE HD13 . 19295 1 175 . 1 1 24 24 THR H H 1 7.392 0.005 . 1 . . . A 24 THR H . 19295 1 176 . 1 1 24 24 THR HA H 1 4.095 0.005 . 1 . . . A 24 THR HA . 19295 1 177 . 1 1 24 24 THR HB H 1 4.239 0.005 . 1 . . . A 24 THR HB . 19295 1 178 . 1 1 24 24 THR HG1 H 1 5.109 0.005 . 1 . . . A 24 THR HG1 . 19295 1 179 . 1 1 24 24 THR HG21 H 1 0.919 0.005 . 1 . . . A 24 THR HG21 . 19295 1 180 . 1 1 24 24 THR HG22 H 1 0.919 0.005 . 1 . . . A 24 THR HG22 . 19295 1 181 . 1 1 24 24 THR HG23 H 1 0.919 0.005 . 1 . . . A 24 THR HG23 . 19295 1 182 . 1 1 25 25 ASN H H 1 8.055 0.005 . 1 . . . A 25 ASN H . 19295 1 183 . 1 1 25 25 ASN HA H 1 4.131 0.005 . 1 . . . A 25 ASN HA . 19295 1 184 . 1 1 25 25 ASN HB2 H 1 2.902 0.005 . 2 . . . A 25 ASN HB2 . 19295 1 185 . 1 1 25 25 ASN HB3 H 1 3.107 0.005 . 2 . . . A 25 ASN HB3 . 19295 1 186 . 1 1 25 25 ASN HD21 H 1 7.462 0.005 . 2 . . . A 25 ASN HD21 . 19295 1 187 . 1 1 25 25 ASN HD22 H 1 6.886 0.005 . 2 . . . A 25 ASN HD22 . 19295 1 188 . 1 1 26 26 ALA H H 1 7.075 0.005 . 1 . . . A 26 ALA H . 19295 1 189 . 1 1 26 26 ALA HA H 1 4.468 0.005 . 1 . . . A 26 ALA HA . 19295 1 190 . 1 1 26 26 ALA HB1 H 1 1.245 0.005 . 1 . . . A 26 ALA HB1 . 19295 1 191 . 1 1 26 26 ALA HB2 H 1 1.245 0.005 . 1 . . . A 26 ALA HB2 . 19295 1 192 . 1 1 26 26 ALA HB3 H 1 1.245 0.005 . 1 . . . A 26 ALA HB3 . 19295 1 193 . 1 1 27 27 SER H H 1 8.479 0.005 . 1 . . . A 27 SER H . 19295 1 194 . 1 1 27 27 SER HA H 1 6.015 0.005 . 1 . . . A 27 SER HA . 19295 1 195 . 1 1 27 27 SER HB2 H 1 3.668 0.005 . 2 . . . A 27 SER HB2 . 19295 1 196 . 1 1 27 27 SER HB3 H 1 3.668 0.005 . 2 . . . A 27 SER HB3 . 19295 1 197 . 1 1 28 28 GLN H H 1 9.597 0.005 . 1 . . . A 28 GLN H . 19295 1 198 . 1 1 28 28 GLN HA H 1 5.101 0.005 . 1 . . . A 28 GLN HA . 19295 1 199 . 1 1 28 28 GLN HB2 H 1 2.253 0.005 . 2 . . . A 28 GLN HB2 . 19295 1 200 . 1 1 28 28 GLN HB3 H 1 2.253 0.005 . 2 . . . A 28 GLN HB3 . 19295 1 201 . 1 1 28 28 GLN HG2 H 1 2.598 0.005 . 2 . . . A 28 GLN HG2 . 19295 1 202 . 1 1 28 28 GLN HG3 H 1 2.598 0.005 . 2 . . . A 28 GLN HG3 . 19295 1 203 . 1 1 28 28 GLN HE21 H 1 7.439 0.005 . 2 . . . A 28 GLN HE21 . 19295 1 204 . 1 1 28 28 GLN HE22 H 1 6.751 0.005 . 2 . . . A 28 GLN HE22 . 19295 1 205 . 1 1 29 29 PHE H H 1 9.102 0.005 . 1 . . . A 29 PHE H . 19295 1 206 . 1 1 29 29 PHE HA H 1 4.796 0.005 . 1 . . . A 29 PHE HA . 19295 1 207 . 1 1 29 29 PHE HB2 H 1 2.915 0.005 . 2 . . . A 29 PHE HB2 . 19295 1 208 . 1 1 29 29 PHE HB3 H 1 3.396 0.005 . 2 . . . A 29 PHE HB3 . 19295 1 209 . 1 1 29 29 PHE HD1 H 1 7.513 0.005 . 3 . . . A 29 PHE HD1 . 19295 1 210 . 1 1 29 29 PHE HD2 H 1 7.513 0.005 . 3 . . . A 29 PHE HD2 . 19295 1 211 . 1 1 29 29 PHE HE1 H 1 6.995 0.005 . 3 . . . A 29 PHE HE1 . 19295 1 212 . 1 1 29 29 PHE HE2 H 1 6.995 0.005 . 3 . . . A 29 PHE HE2 . 19295 1 213 . 1 1 29 29 PHE HZ H 1 6.895 0.005 . 1 . . . A 29 PHE HZ . 19295 1 214 . 1 1 30 30 GLU H H 1 8.317 0.005 . 1 . . . A 30 GLU H . 19295 1 215 . 1 1 30 30 GLU HA H 1 4.287 0.005 . 1 . . . A 30 GLU HA . 19295 1 216 . 1 1 30 30 GLU HB2 H 1 1.823 0.005 . 2 . . . A 30 GLU HB2 . 19295 1 217 . 1 1 30 30 GLU HB3 H 1 1.905 0.005 . 2 . . . A 30 GLU HB3 . 19295 1 218 . 1 1 30 30 GLU HG2 H 1 2.239 0.005 . 2 . . . A 30 GLU HG2 . 19295 1 219 . 1 1 30 30 GLU HG3 H 1 2.349 0.005 . 2 . . . A 30 GLU HG3 . 19295 1 220 . 1 1 31 31 ARG H H 1 8.599 0.005 . 1 . . . A 31 ARG H . 19295 1 221 . 1 1 31 31 ARG HA H 1 2.749 0.005 . 1 . . . A 31 ARG HA . 19295 1 222 . 1 1 31 31 ARG HB2 H 1 1.388 0.005 . 2 . . . A 31 ARG HB2 . 19295 1 223 . 1 1 31 31 ARG HB3 H 1 1.388 0.005 . 2 . . . A 31 ARG HB3 . 19295 1 224 . 1 1 31 31 ARG HG2 H 1 0.946 0.005 . 2 . . . A 31 ARG HG2 . 19295 1 225 . 1 1 31 31 ARG HG3 H 1 1.204 0.005 . 2 . . . A 31 ARG HG3 . 19295 1 226 . 1 1 31 31 ARG HD2 H 1 2.998 0.005 . 2 . . . A 31 ARG HD2 . 19295 1 227 . 1 1 31 31 ARG HD3 H 1 2.998 0.005 . 2 . . . A 31 ARG HD3 . 19295 1 228 . 1 1 31 31 ARG HE H 1 7.439 0.005 . 1 . . . A 31 ARG HE . 19295 1 229 . 1 1 32 32 PRO HA H 1 3.876 0.005 . 1 . . . A 32 PRO HA . 19295 1 230 . 1 1 32 32 PRO HB2 H 1 0.704 0.005 . 2 . . . A 32 PRO HB2 . 19295 1 231 . 1 1 32 32 PRO HB3 H 1 0.822 0.005 . 2 . . . A 32 PRO HB3 . 19295 1 232 . 1 1 32 32 PRO HG2 H 1 -0.147 0.005 . 2 . . . A 32 PRO HG2 . 19295 1 233 . 1 1 32 32 PRO HG3 H 1 0.509 0.005 . 2 . . . A 32 PRO HG3 . 19295 1 234 . 1 1 32 32 PRO HD2 H 1 2.202 0.005 . 2 . . . A 32 PRO HD2 . 19295 1 235 . 1 1 32 32 PRO HD3 H 1 2.389 0.005 . 2 . . . A 32 PRO HD3 . 19295 1 236 . 1 1 33 33 SER H H 1 8.255 0.005 . 1 . . . A 33 SER H . 19295 1 237 . 1 1 33 33 SER HA H 1 4.295 0.005 . 1 . . . A 33 SER HA . 19295 1 238 . 1 1 33 33 SER HB2 H 1 3.717 0.005 . 2 . . . A 33 SER HB2 . 19295 1 239 . 1 1 33 33 SER HB3 H 1 3.793 0.005 . 2 . . . A 33 SER HB3 . 19295 1 240 . 1 1 34 34 GLY H H 1 7.978 0.005 . 1 . . . A 34 GLY H . 19295 1 241 . 1 1 34 34 GLY HA2 H 1 3.713 0.005 . 2 . . . A 34 GLY HA2 . 19295 1 242 . 1 1 34 34 GLY HA3 H 1 3.795 0.005 . 2 . . . A 34 GLY HA3 . 19295 1 stop_ save_