################################### # 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 15159 _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' . . . 15159 1 3 '2D 1H-1H NOESY' . . . 15159 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 2 2 ALA H H 1 8.355 0.053 . 1 . . . . 2 ALA HN . 15159 1 2 . 1 1 3 3 MET H H 1 8.124 0.050 . 1 . . . . 3 MET HN . 15159 1 3 . 1 1 3 3 MET HA H 1 4.221 0.050 . 1 . . . . 3 MET HA . 15159 1 4 . 1 1 3 3 MET HB2 H 1 1.741 0.050 . 1 . . . . 3 MET HB2 . 15159 1 5 . 1 1 3 3 MET HB3 H 1 1.652 0.050 . 1 . . . . 3 MET HB3 . 15159 1 6 . 1 1 3 3 MET HG2 H 1 2.297 0.055 . 1 . . . . 3 MET HG2 . 15159 1 7 . 1 1 3 3 MET HG3 H 1 2.214 0.054 . 1 . . . . 3 MET HG3 . 15159 1 8 . 1 1 4 4 GLY H H 1 8.236 0.050 . 1 . . . . 4 GLY HN . 15159 1 9 . 1 1 4 4 GLY HA2 H 1 3.837 0.054 . 1 . . . . 4 GLY HA1 . 15159 1 10 . 1 1 4 4 GLY HA3 H 1 3.728 0.050 . 1 . . . . 4 GLY HA2 . 15159 1 11 . 1 1 5 5 PRO HA H 1 4.169 0.053 . 1 . . . . 5 PRO HA . 15159 1 12 . 1 1 5 5 PRO HB2 H 1 1.989 0.050 . 1 . . . . 5 PRO HB2 . 15159 1 13 . 1 1 5 5 PRO HB3 H 1 1.625 0.050 . 1 . . . . 5 PRO HB3 . 15159 1 14 . 1 1 5 5 PRO HG2 H 1 1.749 0.052 . 1 . . . . 5 PRO HG2 . 15159 1 15 . 1 1 5 5 PRO HG3 H 1 1.556 0.053 . 1 . . . . 5 PRO HG3 . 15159 1 16 . 1 1 5 5 PRO HD2 H 1 3.332 0.054 . 1 . . . . 5 PRO HD2 . 15159 1 17 . 1 1 5 5 PRO HD3 H 1 3.295 0.054 . 1 . . . . 5 PRO HD3 . 15159 1 18 . 1 1 6 6 LEU H H 1 8.519 0.050 . 1 . . . . 6 LEU HN . 15159 1 19 . 1 1 6 6 LEU HA H 1 3.899 0.050 . 1 . . . . 6 LEU HA . 15159 1 20 . 1 1 6 6 LEU HB2 H 1 1.526 0.054 . 1 . . . . 6 LEU HB2 . 15159 1 21 . 1 1 6 6 LEU HB3 H 1 1.169 0.050 . 1 . . . . 6 LEU HB3 . 15159 1 22 . 1 1 6 6 LEU HG H 1 0.769 0.050 . 1 . . . . 6 LEU HG . 15159 1 23 . 1 1 6 6 LEU HD11 H 1 0.495 0.050 . 1 . . . . 6 LEU QD1 . 15159 1 24 . 1 1 6 6 LEU HD12 H 1 0.495 0.050 . 1 . . . . 6 LEU QD1 . 15159 1 25 . 1 1 6 6 LEU HD13 H 1 0.495 0.050 . 1 . . . . 6 LEU QD1 . 15159 1 26 . 1 1 6 6 LEU HD21 H 1 0.499 0.050 . 1 . . . . 6 LEU HD12 . 15159 1 27 . 1 1 6 6 LEU HD22 H 1 0.499 0.050 . 1 . . . . 6 LEU HD12 . 15159 1 28 . 1 1 6 6 LEU HD23 H 1 0.499 0.050 . 1 . . . . 6 LEU HD12 . 15159 1 29 . 1 1 7 7 PRO HA H 1 4.522 0.050 . 1 . . . . 7 PRO HA . 15159 1 30 . 1 1 7 7 PRO HB2 H 1 2.356 0.050 . 1 . . . . 7 PRO HB2 . 15159 1 31 . 1 1 7 7 PRO HB3 H 1 1.790 0.050 . 1 . . . . 7 PRO HB3 . 15159 1 32 . 1 1 7 7 PRO HG2 H 1 1.671 0.054 . 1 . . . . 7 PRO HG2 . 15159 1 33 . 1 1 7 7 PRO HG3 H 1 1.462 0.055 . 1 . . . . 7 PRO HG3 . 15159 1 34 . 1 1 7 7 PRO HD2 H 1 2.733 0.054 . 1 . . . . 7 PRO HD2 . 15159 1 35 . 1 1 7 7 PRO HD3 H 1 3.264 0.054 . 1 . . . . 7 PRO HD3 . 15159 1 36 . 1 1 8 8 PRO HA H 1 4.094 0.050 . 1 . . . . 8 PRO HA . 15159 1 37 . 1 1 8 8 PRO HB2 H 1 2.087 0.050 . 1 . . . . 8 PRO HB2 . 15159 1 38 . 1 1 8 8 PRO HB3 H 1 1.659 0.054 . 1 . . . . 8 PRO HB3 . 15159 1 39 . 1 1 8 8 PRO HG2 H 1 1.895 0.054 . 1 . . . . 8 PRO HG2 . 15159 1 40 . 1 1 8 8 PRO HG3 H 1 1.787 0.054 . 1 . . . . 8 PRO HG3 . 15159 1 41 . 1 1 8 8 PRO HD2 H 1 3.636 0.050 . 1 . . . . 8 PRO HD2 . 15159 1 42 . 1 1 8 8 PRO HD3 H 1 3.347 0.050 . 1 . . . . 8 PRO HD3 . 15159 1 43 . 1 1 9 9 GLY H H 1 8.617 0.050 . 1 . . . . 9 GLY HN . 15159 1 44 . 1 1 9 9 GLY HA2 H 1 3.895 0.050 . 1 . . . . 9 GLY HA1 . 15159 1 45 . 1 1 9 9 GLY HA3 H 1 3.268 0.050 . 1 . . . . 9 GLY HA2 . 15159 1 46 . 1 1 10 10 TRP H H 1 7.300 0.053 . 1 . . . . 10 TRP HN . 15159 1 47 . 1 1 10 10 TRP HA H 1 5.119 0.050 . 1 . . . . 10 TRP HA . 15159 1 48 . 1 1 10 10 TRP HB2 H 1 3.005 0.050 . 1 . . . . 10 TRP HB2 . 15159 1 49 . 1 1 10 10 TRP HB3 H 1 2.704 0.050 . 1 . . . . 10 TRP HB3 . 15159 1 50 . 1 1 10 10 TRP HD1 H 1 6.758 0.050 . 1 . . . . 10 TRP HD1 . 15159 1 51 . 1 1 10 10 TRP HE1 H 1 10.368 0.054 . 1 . . . . 10 TRP HE1 . 15159 1 52 . 1 1 10 10 TRP HE3 H 1 7.114 0.050 . 1 . . . . 10 TRP HE3 . 15159 1 53 . 1 1 10 10 TRP HZ2 H 1 7.197 0.050 . 1 . . . . 10 TRP HZ2 . 15159 1 54 . 1 1 10 10 TRP HZ3 H 1 6.576 0.054 . 1 . . . . 10 TRP HZ3 . 15159 1 55 . 1 1 10 10 TRP HH2 H 1 6.774 0.054 . 1 . . . . 10 TRP HH2 . 15159 1 56 . 1 1 11 11 GLU H H 1 9.262 0.050 . 1 . . . . 11 GLU HN . 15159 1 57 . 1 1 11 11 GLU HA H 1 4.407 0.050 . 1 . . . . 11 GLU HA . 15159 1 58 . 1 1 11 11 GLU HB2 H 1 1.742 0.054 . 1 . . . . 11 GLU HB2 . 15159 1 59 . 1 1 11 11 GLU HB3 H 1 1.692 0.054 . 1 . . . . 11 GLU HB3 . 15159 1 60 . 1 1 11 11 GLU HG2 H 1 2.084 0.050 . 1 . . . . 11 GLU HG2 . 15159 1 61 . 1 1 11 11 GLU HG3 H 1 1.895 0.050 . 1 . . . . 11 GLU HG3 . 15159 1 62 . 1 1 12 12 LYS H H 1 8.578 0.050 . 1 . . . . 12 LYS HN . 15159 1 63 . 1 1 12 12 LYS HA H 1 4.163 0.050 . 1 . . . . 12 LYS HA . 15159 1 64 . 1 1 12 12 LYS HB2 H 1 1.279 0.050 . 1 . . . . 12 LYS HB2 . 15159 1 65 . 1 1 12 12 LYS HB3 H 1 0.769 0.050 . 1 . . . . 12 LYS HB3 . 15159 1 66 . 1 1 12 12 LYS HG2 H 1 0.607 0.050 . 1 . . . . 12 LYS HG2 . 15159 1 67 . 1 1 12 12 LYS HG3 H 1 0.691 0.050 . 1 . . . . 12 LYS HG3 . 15159 1 68 . 1 1 12 12 LYS HD2 H 1 1.446 0.054 . 1 . . . . 12 LYS HD2 . 15159 1 69 . 1 1 12 12 LYS HD3 H 1 1.312 0.054 . 1 . . . . 12 LYS HD3 . 15159 1 70 . 1 1 12 12 LYS HE2 H 1 2.576 0.050 . 1 . . . . 12 LYS HE2 . 15159 1 71 . 1 1 13 13 ARG H H 1 8.464 0.050 . 1 . . . . 13 ARG HN . 15159 1 72 . 1 1 13 13 ARG HA H 1 4.140 0.050 . 1 . . . . 13 ARG HA . 15159 1 73 . 1 1 13 13 ARG HB2 H 1 1.040 0.050 . 1 . . . . 13 ARG HB2 . 15159 1 74 . 1 1 13 13 ARG HB3 H 1 -0.291 0.054 . 1 . . . . 13 ARG HB3 . 15159 1 75 . 1 1 13 13 ARG HG2 H 1 0.834 0.050 . 1 . . . . 13 ARG HG2 . 15159 1 76 . 1 1 13 13 ARG HG3 H 1 1.010 0.054 . 1 . . . . 13 ARG HG3 . 15159 1 77 . 1 1 13 13 ARG HD2 H 1 2.765 0.050 . 1 . . . . 13 ARG HD2 . 15159 1 78 . 1 1 13 13 ARG HD3 H 1 2.636 0.050 . 1 . . . . 13 ARG HD3 . 15159 1 79 . 1 1 13 13 ARG HE H 1 6.725 0.053 . 1 . . . . 13 ARG HE . 15159 1 80 . 1 1 14 14 THR H H 1 7.696 0.050 . 1 . . . . 14 THR HN . 15159 1 81 . 1 1 14 14 THR HA H 1 4.808 0.050 . 1 . . . . 14 THR HA . 15159 1 82 . 1 1 14 14 THR HB H 1 3.542 0.050 . 1 . . . . 14 THR HB . 15159 1 83 . 1 1 14 14 THR HG21 H 1 0.880 0.050 . 1 . . . . 14 THR QG2 . 15159 1 84 . 1 1 14 14 THR HG22 H 1 0.880 0.050 . 1 . . . . 14 THR QG2 . 15159 1 85 . 1 1 14 14 THR HG23 H 1 0.880 0.050 . 1 . . . . 14 THR QG2 . 15159 1 86 . 1 1 15 15 ASP H H 1 9.067 0.050 . 1 . . . . 15 ASP HN . 15159 1 87 . 1 1 15 15 ASP HA H 1 4.670 0.050 . 1 . . . . 15 ASP HA . 15159 1 88 . 1 1 15 15 ASP HB2 H 1 3.214 0.050 . 1 . . . . 15 ASP HB2 . 15159 1 89 . 1 1 15 15 ASP HB3 H 1 2.583 0.050 . 1 . . . . 15 ASP HB3 . 15159 1 90 . 1 1 16 16 SER H H 1 8.406 0.050 . 1 . . . . 16 SER HN . 15159 1 91 . 1 1 16 16 SER HA H 1 3.938 0.050 . 1 . . . . 16 SER HA . 15159 1 92 . 1 1 16 16 SER HB2 H 1 3.728 0.050 . 1 . . . . 16 SER HB2 . 15159 1 93 . 1 1 16 16 SER HB3 H 1 3.645 0.050 . 1 . . . . 16 SER HB3 . 15159 1 94 . 1 1 17 17 ASN H H 1 8.184 0.054 . 1 . . . . 17 ASN HN . 15159 1 95 . 1 1 17 17 ASN HA H 1 4.660 0.050 . 1 . . . . 17 ASN HA . 15159 1 96 . 1 1 17 17 ASN HB2 H 1 2.706 0.050 . 1 . . . . 17 ASN HB2 . 15159 1 97 . 1 1 17 17 ASN HB3 H 1 2.532 0.050 . 1 . . . . 17 ASN HB3 . 15159 1 98 . 1 1 17 17 ASN HD21 H 1 6.730 0.054 . 1 . . . . 17 ASN HD21 . 15159 1 99 . 1 1 17 17 ASN HD22 H 1 7.572 0.050 . 1 . . . . 17 ASN HD22 . 15159 1 100 . 1 1 18 18 GLY H H 1 7.956 0.050 . 1 . . . . 18 GLY HN . 15159 1 101 . 1 1 18 18 GLY HA2 H 1 3.860 0.221 . 1 . . . . 18 GLY HA1 . 15159 1 102 . 1 1 18 18 GLY HA3 H 1 3.292 0.050 . 1 . . . . 18 GLY HA2 . 15159 1 103 . 1 1 19 19 ARG H H 1 8.421 0.050 . 1 . . . . 19 ARG HN . 15159 1 104 . 1 1 19 19 ARG HA H 1 4.136 0.050 . 1 . . . . 19 ARG HA . 15159 1 105 . 1 1 19 19 ARG HB2 H 1 1.793 0.050 . 1 . . . . 19 ARG HB2 . 15159 1 106 . 1 1 19 19 ARG HB3 H 1 1.639 0.050 . 1 . . . . 19 ARG HB3 . 15159 1 107 . 1 1 19 19 ARG HG2 H 1 1.429 0.054 . 1 . . . . 19 ARG HG2 . 15159 1 108 . 1 1 19 19 ARG HG3 H 1 1.398 0.054 . 1 . . . . 19 ARG HG3 . 15159 1 109 . 1 1 19 19 ARG HD2 H 1 2.588 0.050 . 1 . . . . 19 ARG HD2 . 15159 1 110 . 1 1 19 19 ARG HD3 H 1 2.552 0.054 . 1 . . . . 19 ARG HD3 . 15159 1 111 . 1 1 19 19 ARG HE H 1 6.914 0.050 . 1 . . . . 19 ARG HE . 15159 1 112 . 1 1 19 19 ARG HH21 H 1 6.097 0.055 . 1 . . . . 19 ARG HH21 . 15159 1 113 . 1 1 19 19 ARG HH22 H 1 5.719 0.054 . 1 . . . . 19 ARG HH22 . 15159 1 114 . 1 1 20 20 VAL H H 1 8.254 0.050 . 1 . . . . 20 VAL HN . 15159 1 115 . 1 1 20 20 VAL HA H 1 4.427 0.050 . 1 . . . . 20 VAL HA . 15159 1 116 . 1 1 20 20 VAL HB H 1 1.619 0.050 . 1 . . . . 20 VAL HB . 15159 1 117 . 1 1 20 20 VAL HG11 H 1 0.732 0.050 . 1 . . . . 20 VAL QG1 . 15159 1 118 . 1 1 20 20 VAL HG12 H 1 0.732 0.050 . 1 . . . . 20 VAL QG1 . 15159 1 119 . 1 1 20 20 VAL HG13 H 1 0.732 0.050 . 1 . . . . 20 VAL QG1 . 15159 1 120 . 1 1 20 20 VAL HG21 H 1 0.425 0.054 . 1 . . . . 20 VAL QG2 . 15159 1 121 . 1 1 20 20 VAL HG22 H 1 0.425 0.054 . 1 . . . . 20 VAL QG2 . 15159 1 122 . 1 1 20 20 VAL HG23 H 1 0.425 0.054 . 1 . . . . 20 VAL QG2 . 15159 1 123 . 1 1 21 21 TYR H H 1 8.496 0.050 . 1 . . . . 21 TYR HN . 15159 1 124 . 1 1 21 21 TYR HA H 1 4.518 0.050 . 1 . . . . 21 TYR HA . 15159 1 125 . 1 1 21 21 TYR HB2 H 1 2.534 0.053 . 1 . . . . 21 TYR HB2 . 15159 1 126 . 1 1 21 21 TYR HB3 H 1 2.123 0.050 . 1 . . . . 21 TYR HB3 . 15159 1 127 . 1 1 21 21 TYR HD1 H 1 6.516 0.050 . 1 . . . . 21 TYR QD . 15159 1 128 . 1 1 21 21 TYR HD2 H 1 6.516 0.050 . 1 . . . . 21 TYR QD . 15159 1 129 . 1 1 21 21 TYR HE1 H 1 6.056 0.050 . 1 . . . . 21 TYR QE . 15159 1 130 . 1 1 21 21 TYR HE2 H 1 6.056 0.050 . 1 . . . . 21 TYR QE . 15159 1 131 . 1 1 22 22 PHE H H 1 8.731 0.050 . 1 . . . . 22 PHE HN . 15159 1 132 . 1 1 22 22 PHE HA H 1 5.213 0.054 . 1 . . . . 22 PHE HA . 15159 1 133 . 1 1 22 22 PHE HB2 H 1 2.549 0.054 . 1 . . . . 22 PHE HB2 . 15159 1 134 . 1 1 22 22 PHE HB3 H 1 2.845 0.054 . 1 . . . . 22 PHE HB3 . 15159 1 135 . 1 1 22 22 PHE HD1 H 1 6.672 0.052 . 3 . . . . 22 PHE QD . 15159 1 136 . 1 1 22 22 PHE HD2 H 1 6.672 0.052 . 3 . . . . 22 PHE QD . 15159 1 137 . 1 1 22 22 PHE HE1 H 1 6.924 0.053 . 3 . . . . 22 PHE QE . 15159 1 138 . 1 1 22 22 PHE HE2 H 1 6.924 0.053 . 3 . . . . 22 PHE QE . 15159 1 139 . 1 1 22 22 PHE HZ H 1 6.964 0.050 . 1 . . . . 22 PHE HZ . 15159 1 140 . 1 1 23 23 VAL H H 1 8.847 0.050 . 1 . . . . 23 VAL HN . 15159 1 141 . 1 1 23 23 VAL HA H 1 4.827 0.050 . 1 . . . . 23 VAL HA . 15159 1 142 . 1 1 23 23 VAL HB H 1 1.521 0.050 . 1 . . . . 23 VAL HB . 15159 1 143 . 1 1 23 23 VAL HG11 H 1 0.488 0.050 . 1 . . . . 23 VAL QG1 . 15159 1 144 . 1 1 23 23 VAL HG12 H 1 0.488 0.050 . 1 . . . . 23 VAL QG1 . 15159 1 145 . 1 1 23 23 VAL HG13 H 1 0.488 0.050 . 1 . . . . 23 VAL QG1 . 15159 1 146 . 1 1 23 23 VAL HG21 H 1 0.406 0.050 . 1 . . . . 23 VAL QG2 . 15159 1 147 . 1 1 23 23 VAL HG22 H 1 0.406 0.050 . 1 . . . . 23 VAL QG2 . 15159 1 148 . 1 1 23 23 VAL HG23 H 1 0.406 0.050 . 1 . . . . 23 VAL QG2 . 15159 1 149 . 1 1 24 24 ASN H H 1 8.116 0.050 . 1 . . . . 24 ASN HN . 15159 1 150 . 1 1 24 24 ASN HA H 1 4.080 0.050 . 1 . . . . 24 ASN HA . 15159 1 151 . 1 1 24 24 ASN HB2 H 1 1.934 0.050 . 1 . . . . 24 ASN HB2 . 15159 1 152 . 1 1 24 24 ASN HB3 H 1 -0.685 0.050 . 1 . . . . 24 ASN HB3 . 15159 1 153 . 1 1 24 24 ASN HD21 H 1 6.557 0.050 . 1 . . . . 24 ASN HD21 . 15159 1 154 . 1 1 25 25 HIS H H 1 8.412 0.050 . 1 . . . . 25 HIS HN . 15159 1 155 . 1 1 25 25 HIS HA H 1 4.035 0.050 . 1 . . . . 25 HIS HA . 15159 1 156 . 1 1 25 25 HIS HB2 H 1 2.819 0.050 . 1 . . . . 25 HIS HB2 . 15159 1 157 . 1 1 25 25 HIS HD2 H 1 6.720 0.050 . 1 . . . . 25 HIS HD2 . 15159 1 158 . 1 1 25 25 HIS HE1 H 1 6.955 0.052 . 1 . . . . 25 HIS HE1 . 15159 1 159 . 1 1 26 26 ASN H H 1 8.287 0.050 . 1 . . . . 26 ASN HN . 15159 1 160 . 1 1 26 26 ASN HA H 1 4.324 0.052 . 1 . . . . 26 ASN HA . 15159 1 161 . 1 1 26 26 ASN HB2 H 1 2.675 0.050 . 1 . . . . 26 ASN HB2 . 15159 1 162 . 1 1 26 26 ASN HB3 H 1 2.489 0.050 . 1 . . . . 26 ASN HB3 . 15159 1 163 . 1 1 26 26 ASN HD21 H 1 6.883 0.052 . 1 . . . . 26 ASN HD21 . 15159 1 164 . 1 1 26 26 ASN HD22 H 1 7.410 0.050 . 1 . . . . 26 ASN HD22 . 15159 1 165 . 1 1 27 27 THR H H 1 7.265 0.050 . 1 . . . . 27 THR HN . 15159 1 166 . 1 1 27 27 THR HA H 1 3.905 0.054 . 1 . . . . 27 THR HA . 15159 1 167 . 1 1 27 27 THR HB H 1 3.956 0.054 . 1 . . . . 27 THR HB . 15159 1 168 . 1 1 27 27 THR HG21 H 1 0.718 0.050 . 1 . . . . 27 THR QG2 . 15159 1 169 . 1 1 27 27 THR HG22 H 1 0.718 0.050 . 1 . . . . 27 THR QG2 . 15159 1 170 . 1 1 27 27 THR HG23 H 1 0.718 0.050 . 1 . . . . 27 THR QG2 . 15159 1 171 . 1 1 28 28 ARG H H 1 7.608 0.050 . 1 . . . . 28 ARG HN . 15159 1 172 . 1 1 28 28 ARG HA H 1 3.643 0.054 . 1 . . . . 28 ARG HA . 15159 1 173 . 1 1 28 28 ARG HB2 H 1 1.770 0.050 . 1 . . . . 28 ARG HB2 . 15159 1 174 . 1 1 28 28 ARG HB3 H 1 1.635 0.050 . 1 . . . . 28 ARG HB3 . 15159 1 175 . 1 1 28 28 ARG HG2 H 1 1.167 0.050 . 1 . . . . 28 ARG HG2 . 15159 1 176 . 1 1 28 28 ARG HD2 H 1 2.889 0.055 . 1 . . . . 28 ARG HD2 . 15159 1 177 . 1 1 28 28 ARG HD3 H 1 2.841 0.052 . 1 . . . . 28 ARG HD3 . 15159 1 178 . 1 1 29 29 ILE H H 1 6.962 0.054 . 1 . . . . 29 ILE HN . 15159 1 179 . 1 1 29 29 ILE HA H 1 4.064 0.050 . 1 . . . . 29 ILE HA . 15159 1 180 . 1 1 29 29 ILE HB H 1 1.296 0.050 . 1 . . . . 29 ILE HB . 15159 1 181 . 1 1 29 29 ILE HG12 H 1 1.119 0.054 . 1 . . . . 29 ILE HG12 . 15159 1 182 . 1 1 29 29 ILE HG13 H 1 0.876 0.055 . 1 . . . . 29 ILE HG13 . 15159 1 183 . 1 1 29 29 ILE HG21 H 1 0.678 0.050 . 1 . . . . 29 ILE QG2 . 15159 1 184 . 1 1 29 29 ILE HG22 H 1 0.678 0.050 . 1 . . . . 29 ILE QG2 . 15159 1 185 . 1 1 29 29 ILE HG23 H 1 0.678 0.050 . 1 . . . . 29 ILE QG2 . 15159 1 186 . 1 1 29 29 ILE HD11 H 1 0.567 0.050 . 1 . . . . 29 ILE QD1 . 15159 1 187 . 1 1 29 29 ILE HD12 H 1 0.567 0.050 . 1 . . . . 29 ILE QD1 . 15159 1 188 . 1 1 29 29 ILE HD13 H 1 0.567 0.050 . 1 . . . . 29 ILE QD1 . 15159 1 189 . 1 1 30 30 TPO H H 1 8.190 0.050 . 1 . . . . 30 TPO HN . 15159 1 190 . 1 1 30 30 TPO HA H 1 5.028 0.050 . 1 . . . . 30 TPO HA . 15159 1 191 . 1 1 30 30 TPO HB H 1 3.906 0.050 . 1 . . . . 30 TPO HB . 15159 1 192 . 1 1 30 30 TPO HG21 H 1 0.812 0.050 . 1 . . . . 30 TPO QG2 . 15159 1 193 . 1 1 30 30 TPO HG22 H 1 0.812 0.050 . 1 . . . . 30 TPO QG2 . 15159 1 194 . 1 1 30 30 TPO HG23 H 1 0.812 0.050 . 1 . . . . 30 TPO QG2 . 15159 1 195 . 1 1 31 31 GLN H H 1 9.400 0.050 . 1 . . . . 31 GLN HN . 15159 1 196 . 1 1 31 31 GLN HA H 1 4.654 0.050 . 1 . . . . 31 GLN HA . 15159 1 197 . 1 1 31 31 GLN HB2 H 1 2.047 0.050 . 1 . . . . 31 GLN HB2 . 15159 1 198 . 1 1 31 31 GLN HB3 H 1 1.992 0.050 . 1 . . . . 31 GLN HB3 . 15159 1 199 . 1 1 31 31 GLN HG2 H 1 2.342 0.050 . 1 . . . . 31 GLN HG2 . 15159 1 200 . 1 1 31 31 GLN HE21 H 1 6.582 0.050 . 1 . . . . 31 GLN HE21 . 15159 1 201 . 1 1 31 31 GLN HE22 H 1 7.336 0.050 . 1 . . . . 31 GLN HE22 . 15159 1 202 . 1 1 32 32 TRP H H 1 8.302 0.050 . 1 . . . . 32 TRP HN . 15159 1 203 . 1 1 32 32 TRP HA H 1 4.670 0.054 . 1 . . . . 32 TRP HA . 15159 1 204 . 1 1 32 32 TRP HB2 H 1 3.260 0.050 . 1 . . . . 32 TRP HB2 . 15159 1 205 . 1 1 32 32 TRP HB3 H 1 2.847 0.050 . 1 . . . . 32 TRP HB3 . 15159 1 206 . 1 1 32 32 TRP HD1 H 1 7.140 0.050 . 1 . . . . 32 TRP HD1 . 15159 1 207 . 1 1 32 32 TRP HE1 H 1 9.845 0.053 . 1 . . . . 32 TRP HE1 . 15159 1 208 . 1 1 32 32 TRP HE3 H 1 7.800 0.054 . 1 . . . . 32 TRP HE3 . 15159 1 209 . 1 1 32 32 TRP HZ2 H 1 7.034 0.054 . 1 . . . . 32 TRP HZ2 . 15159 1 210 . 1 1 32 32 TRP HZ3 H 1 6.624 0.054 . 1 . . . . 32 TRP HZ3 . 15159 1 211 . 1 1 32 32 TRP HH2 H 1 6.884 0.054 . 1 . . . . 32 TRP HH2 . 15159 1 212 . 1 1 33 33 GLU H H 1 7.772 0.050 . 1 . . . . 33 GLU HN . 15159 1 213 . 1 1 33 33 GLU HA H 1 3.883 0.050 . 1 . . . . 33 GLU HA . 15159 1 214 . 1 1 33 33 GLU HB2 H 1 1.574 0.050 . 1 . . . . 33 GLU HB2 . 15159 1 215 . 1 1 33 33 GLU HB3 H 1 1.426 0.050 . 1 . . . . 33 GLU HB3 . 15159 1 216 . 1 1 33 33 GLU HG2 H 1 1.946 0.050 . 1 . . . . 33 GLU HG2 . 15159 1 217 . 1 1 33 33 GLU HG3 H 1 1.821 0.050 . 1 . . . . 33 GLU HG3 . 15159 1 218 . 1 1 34 34 ASP H H 1 8.182 0.050 . 1 . . . . 34 ASP HN . 15159 1 219 . 1 1 34 34 ASP HA H 1 2.359 0.054 . 1 . . . . 34 ASP HA . 15159 1 220 . 1 1 34 34 ASP HB2 H 1 1.957 0.054 . 1 . . . . 34 ASP HB2 . 15159 1 221 . 1 1 34 34 ASP HB3 H 1 1.963 0.050 . 1 . . . . 34 ASP HB3 . 15159 1 222 . 1 1 35 35 PRO HA H 1 3.248 0.050 . 1 . . . . 35 PRO HA . 15159 1 223 . 1 1 35 35 PRO HB2 H 1 0.505 0.050 . 1 . . . . 35 PRO HB2 . 15159 1 224 . 1 1 35 35 PRO HB3 H 1 0.334 0.054 . 1 . . . . 35 PRO HB3 . 15159 1 225 . 1 1 35 35 PRO HG2 H 1 0.219 0.056 . 1 . . . . 35 PRO HG2 . 15159 1 226 . 1 1 35 35 PRO HG3 H 1 -0.159 0.056 . 1 . . . . 35 PRO HG3 . 15159 1 227 . 1 1 35 35 PRO HD2 H 1 2.169 0.054 . 1 . . . . 35 PRO HD2 . 15159 1 228 . 1 1 35 35 PRO HD3 H 1 2.059 0.057 . 1 . . . . 35 PRO HD3 . 15159 1 229 . 1 1 36 36 ARG H H 1 8.301 0.051 . 1 . . . . 36 ARG HN . 15159 1 230 . 1 1 36 36 ARG HA H 1 3.690 0.054 . 1 . . . . 36 ARG HA . 15159 1 231 . 1 1 36 36 ARG HB2 H 1 1.563 0.052 . 1 . . . . 36 ARG HB2 . 15159 1 232 . 1 1 36 36 ARG HB3 H 1 1.329 0.054 . 1 . . . . 36 ARG HB3 . 15159 1 233 . 1 1 36 36 ARG HG2 H 1 1.464 0.052 . 1 . . . . 36 ARG HG2 . 15159 1 234 . 1 1 36 36 ARG HG3 H 1 0.938 0.050 . 1 . . . . 36 ARG HG3 . 15159 1 235 . 1 1 36 36 ARG HD2 H 1 2.560 0.050 . 1 . . . . 36 ARG HD2 . 15159 1 236 . 1 1 36 36 ARG HD3 H 1 2.549 0.050 . 1 . . . . 36 ARG HD3 . 15159 1 237 . 1 1 36 36 ARG HE H 1 8.308 0.050 . 1 . . . . 36 ARG HE . 15159 1 238 . 1 1 37 37 SER H H 1 7.463 0.050 . 1 . . . . 37 SER HN . 15159 1 239 . 1 1 37 37 SER HA H 1 3.512 0.050 . 1 . . . . 37 SER HA . 15159 1 240 . 1 1 37 37 SER HB2 H 1 3.953 0.050 . 1 . . . . 37 SER HB2 . 15159 1 stop_ save_