################################### # 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 7166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 TOCSY' 1 $sample_1 isotropic 7166 1 2 '2D NOESY' 1 $sample_1 isotropic 7166 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.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 GLY HA2 H 1 3.443 0.020 . 2 . . . . . 1 GLY HA2 . 7166 1 2 . 1 1 1 1 GLY HA3 H 1 3.664 0.020 . 2 . . . . . 1 GLY HA3 . 7166 1 3 . 1 1 2 2 VAL H H 1 8.752 0.020 . 1 . . . . . 2 VAL H . 7166 1 4 . 1 1 2 2 VAL HA H 1 4.245 0.020 . 1 . . . . . 2 VAL HA . 7166 1 5 . 1 1 2 2 VAL HB H 1 1.732 0.020 . 1 . . . . . 2 VAL HB . 7166 1 6 . 1 1 2 2 VAL HG11 H 1 0.726 0.020 . 2 . . . . . 2 VAL HG1 . 7166 1 7 . 1 1 2 2 VAL HG12 H 1 0.726 0.020 . 2 . . . . . 2 VAL HG1 . 7166 1 8 . 1 1 2 2 VAL HG13 H 1 0.726 0.020 . 2 . . . . . 2 VAL HG1 . 7166 1 9 . 1 1 2 2 VAL HG21 H 1 0.790 0.020 . 2 . . . . . 2 VAL HG2 . 7166 1 10 . 1 1 2 2 VAL HG22 H 1 0.790 0.020 . 2 . . . . . 2 VAL HG2 . 7166 1 11 . 1 1 2 2 VAL HG23 H 1 0.790 0.020 . 2 . . . . . 2 VAL HG2 . 7166 1 12 . 1 1 3 3 HYPR HA H 1 5.244 0.020 . 1 . . . . . 3 HYPR HA . 7166 1 13 . 1 1 3 3 HYPR HB3 H 1 2.355 0.020 . 2 . . . . . 3 HYPR HB3 . 7166 1 14 . 1 1 3 3 HYPR HB2 H 1 1.869 0.020 . 2 . . . . . 3 HYPR HB2 . 7166 1 15 . 1 1 3 3 HYPR HG H 1 4.727 0.020 . 1 . . . . . 3 HYPR HG . 7166 1 16 . 1 1 3 3 HYPR HD3 H 1 3.673 0.020 . 2 . . . . . 3 HYPR HD3 . 7166 1 17 . 1 1 3 3 HYPR HD2 H 1 3.673 0.020 . 2 . . . . . 3 HYPR HD2 . 7166 1 18 . 1 1 4 4 CYS H H 1 8.010 0.020 . 1 . . . . . 4 CYS H . 7166 1 19 . 1 1 4 4 CYS HA H 1 4.591 0.020 . 1 . . . . . 4 CYS HA . 7166 1 20 . 1 1 4 4 CYS HB2 H 1 2.971 0.020 . 2 . . . . . 4 CYS HB2 . 7166 1 21 . 1 1 4 4 CYS HB3 H 1 3.090 0.020 . 2 . . . . . 4 CYS HB3 . 7166 1 22 . 1 1 5 5 ARG H H 1 8.477 0.020 . 1 . . . . . 5 ARG H . 7166 1 23 . 1 1 5 5 ARG HA H 1 4.411 0.020 . 1 . . . . . 5 ARG HA . 7166 1 24 . 1 1 5 5 ARG HB2 H 1 1.596 0.020 . 2 . . . . . 5 ARG HB2 . 7166 1 25 . 1 1 5 5 ARG HB3 H 1 1.842 0.020 . 2 . . . . . 5 ARG HB3 . 7166 1 26 . 1 1 5 5 ARG HG2 H 1 1.552 0.020 . 1 . . . . . 5 ARG HG2 . 7166 1 27 . 1 1 5 5 ARG HG3 H 1 1.552 0.020 . 1 . . . . . 5 ARG HG3 . 7166 1 28 . 1 1 5 5 ARG HD2 H 1 2.986 0.020 . 2 . . . . . 5 ARG HD2 . 7166 1 29 . 1 1 5 5 ARG HD3 H 1 3.186 0.020 . 2 . . . . . 5 ARG HD3 . 7166 1 30 . 1 1 5 5 ARG HE H 1 7.256 0.020 . 1 . . . . . 5 ARG HE . 7166 1 31 . 1 1 6 6 CYS H H 1 9.205 0.020 . 1 . . . . . 6 CYS H . 7166 1 32 . 1 1 6 6 CYS HA H 1 4.752 0.020 . 1 . . . . . 6 CYS HA . 7166 1 33 . 1 1 6 6 CYS HB2 H 1 2.483 0.020 . 2 . . . . . 6 CYS HB2 . 7166 1 34 . 1 1 6 6 CYS HB3 H 1 3.444 0.020 . 2 . . . . . 6 CYS HB3 . 7166 1 35 . 1 1 7 7 ASP H H 1 9.027 0.020 . 1 . . . . . 7 ASP H . 7166 1 36 . 1 1 7 7 ASP HA H 1 4.426 0.020 . 1 . . . . . 7 ASP HA . 7166 1 37 . 1 1 7 7 ASP HB2 H 1 2.708 0.020 . 1 . . . . . 7 ASP HB2 . 7166 1 38 . 1 1 7 7 ASP HB3 H 1 2.708 0.020 . 1 . . . . . 7 ASP HB3 . 7166 1 39 . 1 1 8 8 SER H H 1 8.013 0.020 . 1 . . . . . 8 SER H . 7166 1 40 . 1 1 8 8 SER HA H 1 4.166 0.020 . 1 . . . . . 8 SER HA . 7166 1 41 . 1 1 8 8 SER HB2 H 1 3.685 0.020 . 1 . . . . . 8 SER HB2 . 7166 1 42 . 1 1 8 8 SER HB3 H 1 3.685 0.020 . 1 . . . . . 8 SER HB3 . 7166 1 43 . 1 1 9 9 ASP H H 1 7.701 0.020 . 1 . . . . . 9 ASP H . 7166 1 44 . 1 1 9 9 ASP HA H 1 4.567 0.020 . 1 . . . . . 9 ASP HA . 7166 1 45 . 1 1 9 9 ASP HB2 H 1 2.931 0.020 . 2 . . . . . 9 ASP HB2 . 7166 1 46 . 1 1 9 9 ASP HB3 H 1 3.050 0.020 . 2 . . . . . 9 ASP HB3 . 7166 1 47 . 1 1 10 10 GLY H H 1 7.919 0.020 . 1 . . . . . 10 GLY H . 7166 1 48 . 1 1 10 10 GLY HA2 H 1 4.033 0.020 . 2 . . . . . 10 GLY HA2 . 7166 1 49 . 1 1 10 10 GLY HA3 H 1 4.163 0.020 . 2 . . . . . 10 GLY HA3 . 7166 1 50 . 1 1 11 11 PRO HA H 1 4.382 0.020 . 1 . . . . . 11 PRO HA . 7166 1 51 . 1 1 11 11 PRO HB2 H 1 2.201 0.020 . 1 . . . . . 11 PRO HB2 . 7166 1 52 . 1 1 11 11 PRO HB3 H 1 2.201 0.020 . 1 . . . . . 11 PRO HB3 . 7166 1 53 . 1 1 11 11 PRO HG2 H 1 1.893 0.020 . 1 . . . . . 11 PRO HG2 . 7166 1 54 . 1 1 11 11 PRO HG3 H 1 1.893 0.020 . 1 . . . . . 11 PRO HG3 . 7166 1 55 . 1 1 11 11 PRO HD2 H 1 3.538 0.020 . 2 . . . . . 11 PRO HD2 . 7166 1 56 . 1 1 11 11 PRO HD3 H 1 3.607 0.020 . 2 . . . . . 11 PRO HD3 . 7166 1 57 . 1 1 12 12 SER H H 1 8.252 0.020 . 1 . . . . . 12 SER H . 7166 1 58 . 1 1 12 12 SER HA H 1 4.446 0.020 . 1 . . . . . 12 SER HA . 7166 1 59 . 1 1 12 12 SER HB2 H 1 3.823 0.020 . 1 . . . . . 12 SER HB2 . 7166 1 60 . 1 1 12 12 SER HB3 H 1 3.823 0.020 . 1 . . . . . 12 SER HB3 . 7166 1 61 . 1 1 13 13 VAL H H 1 8.030 0.020 . 1 . . . . . 13 VAL H . 7166 1 62 . 1 1 13 13 VAL HA H 1 4.033 0.020 . 1 . . . . . 13 VAL HA . 7166 1 63 . 1 1 13 13 VAL HB H 1 1.992 0.020 . 1 . . . . . 13 VAL HB . 7166 1 64 . 1 1 13 13 VAL HG11 H 1 0.735 0.020 . 2 . . . . . 13 VAL HG1 . 7166 1 65 . 1 1 13 13 VAL HG12 H 1 0.735 0.020 . 2 . . . . . 13 VAL HG1 . 7166 1 66 . 1 1 13 13 VAL HG13 H 1 0.735 0.020 . 2 . . . . . 13 VAL HG1 . 7166 1 67 . 1 1 13 13 VAL HG21 H 1 0.735 0.020 . 2 . . . . . 13 VAL HG2 . 7166 1 68 . 1 1 13 13 VAL HG22 H 1 0.735 0.020 . 2 . . . . . 13 VAL HG2 . 7166 1 69 . 1 1 13 13 VAL HG23 H 1 0.735 0.020 . 2 . . . . . 13 VAL HG2 . 7166 1 70 . 1 1 14 14 HIS H H 1 8.339 0.020 . 1 . . . . . 14 HIS H . 7166 1 71 . 1 1 14 14 HIS HA H 1 4.659 0.020 . 1 . . . . . 14 HIS HA . 7166 1 72 . 1 1 14 14 HIS HB2 H 1 3.067 0.020 . 2 . . . . . 14 HIS HB2 . 7166 1 73 . 1 1 14 14 HIS HB3 H 1 3.270 0.020 . 2 . . . . . 14 HIS HB3 . 7166 1 74 . 1 1 14 14 HIS HD2 H 1 7.217 0.020 . 1 . . . . . 14 HIS HD2 . 7166 1 75 . 1 1 14 14 HIS HE1 H 1 8.524 0.020 . 1 . . . . . 14 HIS HE1 . 7166 1 76 . 1 1 15 15 GLY H H 1 8.213 0.020 . 1 . . . . . 15 GLY H . 7166 1 77 . 1 1 15 15 GLY HA2 H 1 3.741 0.020 . 2 . . . . . 15 GLY HA2 . 7166 1 78 . 1 1 15 15 GLY HA3 H 1 4.023 0.020 . 2 . . . . . 15 GLY HA3 . 7166 1 79 . 1 1 16 16 ASN H H 1 8.245 0.020 . 1 . . . . . 16 ASN H . 7166 1 80 . 1 1 16 16 ASN HA H 1 4.432 0.020 . 1 . . . . . 16 ASN HA . 7166 1 81 . 1 1 16 16 ASN HB2 H 1 2.701 0.020 . 2 . . . . . 16 ASN HB2 . 7166 1 82 . 1 1 16 16 ASN HB3 H 1 2.792 0.020 . 2 . . . . . 16 ASN HB3 . 7166 1 83 . 1 1 16 16 ASN HD21 H 1 6.831 0.020 . 2 . . . . . 16 ASN HD21 . 7166 1 84 . 1 1 16 16 ASN HD22 H 1 7.510 0.020 . 2 . . . . . 16 ASN HD22 . 7166 1 85 . 1 1 17 17 THR H H 1 8.048 0.020 . 1 . . . . . 17 THR H . 7166 1 86 . 1 1 17 17 THR HA H 1 4.191 0.020 . 1 . . . . . 17 THR HA . 7166 1 87 . 1 1 17 17 THR HB H 1 4.109 0.020 . 1 . . . . . 17 THR HB . 7166 1 88 . 1 1 17 17 THR HG21 H 1 1.104 0.020 . 1 . . . . . 17 THR HG2 . 7166 1 89 . 1 1 17 17 THR HG22 H 1 1.104 0.020 . 1 . . . . . 17 THR HG2 . 7166 1 90 . 1 1 17 17 THR HG23 H 1 1.104 0.020 . 1 . . . . . 17 THR HG2 . 7166 1 91 . 1 1 18 18 LEU H H 1 7.969 0.020 . 1 . . . . . 18 LEU H . 7166 1 92 . 1 1 18 18 LEU HA H 1 4.479 0.020 . 1 . . . . . 18 LEU HA . 7166 1 93 . 1 1 18 18 LEU HB2 H 1 1.568 0.020 . 1 . . . . . 18 LEU HB2 . 7166 1 94 . 1 1 18 18 LEU HB3 H 1 1.568 0.020 . 1 . . . . . 18 LEU HB3 . 7166 1 95 . 1 1 18 18 LEU HG H 1 1.513 0.020 . 1 . . . . . 18 LEU HG . 7166 1 96 . 1 1 18 18 LEU HD11 H 1 0.661 0.020 . 2 . . . . . 18 LEU HD1 . 7166 1 97 . 1 1 18 18 LEU HD12 H 1 0.661 0.020 . 2 . . . . . 18 LEU HD1 . 7166 1 98 . 1 1 18 18 LEU HD13 H 1 0.661 0.020 . 2 . . . . . 18 LEU HD1 . 7166 1 99 . 1 1 18 18 LEU HD21 H 1 1.162 0.020 . 2 . . . . . 18 LEU HD2 . 7166 1 100 . 1 1 18 18 LEU HD22 H 1 1.162 0.020 . 2 . . . . . 18 LEU HD2 . 7166 1 101 . 1 1 18 18 LEU HD23 H 1 1.162 0.020 . 2 . . . . . 18 LEU HD2 . 7166 1 102 . 1 1 19 19 SER H H 1 8.461 0.020 . 1 . . . . . 19 SER H . 7166 1 103 . 1 1 19 19 SER HA H 1 4.441 0.020 . 1 . . . . . 19 SER HA . 7166 1 104 . 1 1 19 19 SER HB2 H 1 3.779 0.020 . 1 . . . . . 19 SER HB2 . 7166 1 105 . 1 1 19 19 SER HB3 H 1 3.779 0.020 . 1 . . . . . 19 SER HB3 . 7166 1 106 . 1 1 20 20 GLY H H 1 8.457 0.020 . 1 . . . . . 20 GLY H . 7166 1 107 . 1 1 20 20 GLY HA2 H 1 3.730 0.020 . 2 . . . . . 20 GLY HA2 . 7166 1 108 . 1 1 20 20 GLY HA3 H 1 4.555 0.020 . 2 . . . . . 20 GLY HA3 . 7166 1 109 . 1 1 21 21 THR H H 1 9.530 0.020 . 1 . . . . . 21 THR H . 7166 1 110 . 1 1 21 21 THR HA H 1 4.718 0.020 . 1 . . . . . 21 THR HA . 7166 1 111 . 1 1 21 21 THR HB H 1 3.846 0.020 . 1 . . . . . 21 THR HB . 7166 1 112 . 1 1 21 21 THR HG21 H 1 0.666 0.020 . 1 . . . . . 21 THR HG2 . 7166 1 113 . 1 1 21 21 THR HG22 H 1 0.666 0.020 . 1 . . . . . 21 THR HG2 . 7166 1 114 . 1 1 21 21 THR HG23 H 1 0.666 0.020 . 1 . . . . . 21 THR HG2 . 7166 1 115 . 1 1 22 22 VAL H H 1 8.466 0.020 . 1 . . . . . 22 VAL H . 7166 1 116 . 1 1 22 22 VAL HA H 1 4.018 0.020 . 1 . . . . . 22 VAL HA . 7166 1 117 . 1 1 22 22 VAL HB H 1 1.594 0.020 . 1 . . . . . 22 VAL HB . 7166 1 118 . 1 1 22 22 VAL HG11 H 1 0.373 0.020 . 2 . . . . . 22 VAL HG1 . 7166 1 119 . 1 1 22 22 VAL HG12 H 1 0.373 0.020 . 2 . . . . . 22 VAL HG1 . 7166 1 120 . 1 1 22 22 VAL HG13 H 1 0.373 0.020 . 2 . . . . . 22 VAL HG1 . 7166 1 121 . 1 1 22 22 VAL HG21 H 1 0.497 0.020 . 2 . . . . . 22 VAL HG2 . 7166 1 122 . 1 1 22 22 VAL HG22 H 1 0.497 0.020 . 2 . . . . . 22 VAL HG2 . 7166 1 123 . 1 1 22 22 VAL HG23 H 1 0.497 0.020 . 2 . . . . . 22 VAL HG2 . 7166 1 124 . 1 1 23 23 TRP H H 1 9.160 0.020 . 1 . . . . . 23 TRP H . 7166 1 125 . 1 1 23 23 TRP HA H 1 4.319 0.020 . 1 . . . . . 23 TRP HA . 7166 1 126 . 1 1 23 23 TRP HB2 H 1 2.632 0.020 . 2 . . . . . 23 TRP HB2 . 7166 1 127 . 1 1 23 23 TRP HB3 H 1 3.074 0.020 . 2 . . . . . 23 TRP HB3 . 7166 1 128 . 1 1 23 23 TRP HD1 H 1 6.711 0.020 . 1 . . . . . 23 TRP HD1 . 7166 1 129 . 1 1 23 23 TRP HE3 H 1 7.483 0.020 . 1 . . . . . 23 TRP HE3 . 7166 1 130 . 1 1 23 23 TRP HZ3 H 1 6.755 0.020 . 1 . . . . . 23 TRP HZ3 . 7166 1 131 . 1 1 23 23 TRP HH2 H 1 6.363 0.020 . 1 . . . . . 23 TRP HH2 . 7166 1 132 . 1 1 24 24 VAL H H 1 8.161 0.020 . 1 . . . . . 24 VAL H . 7166 1 133 . 1 1 24 24 VAL HA H 1 3.838 0.020 . 1 . . . . . 24 VAL HA . 7166 1 134 . 1 1 24 24 VAL HB H 1 1.861 0.020 . 1 . . . . . 24 VAL HB . 7166 1 135 . 1 1 24 24 VAL HG11 H 1 0.846 0.020 . 2 . . . . . 24 VAL HG1 . 7166 1 136 . 1 1 24 24 VAL HG12 H 1 0.846 0.020 . 2 . . . . . 24 VAL HG1 . 7166 1 137 . 1 1 24 24 VAL HG13 H 1 0.846 0.020 . 2 . . . . . 24 VAL HG1 . 7166 1 138 . 1 1 24 24 VAL HG21 H 1 0.846 0.020 . 2 . . . . . 24 VAL HG2 . 7166 1 139 . 1 1 24 24 VAL HG22 H 1 0.846 0.020 . 2 . . . . . 24 VAL HG2 . 7166 1 140 . 1 1 24 24 VAL HG23 H 1 0.846 0.020 . 2 . . . . . 24 VAL HG2 . 7166 1 141 . 1 1 25 25 GLY H H 1 8.522 0.020 . 1 . . . . . 25 GLY H . 7166 1 142 . 1 1 25 25 GLY HA2 H 1 3.303 0.020 . 2 . . . . . 25 GLY HA2 . 7166 1 143 . 1 1 25 25 GLY HA3 H 1 4.274 0.020 . 2 . . . . . 25 GLY HA3 . 7166 1 144 . 1 1 26 26 SER H H 1 7.832 0.020 . 1 . . . . . 26 SER H . 7166 1 145 . 1 1 26 26 SER HA H 1 4.399 0.020 . 1 . . . . . 26 SER HA . 7166 1 146 . 1 1 26 26 SER HB2 H 1 3.583 0.020 . 2 . . . . . 26 SER HB2 . 7166 1 147 . 1 1 26 26 SER HB3 H 1 3.698 0.020 . 2 . . . . . 26 SER HB3 . 7166 1 148 . 1 1 27 27 CYS H H 1 8.188 0.020 . 1 . . . . . 27 CYS H . 7166 1 149 . 1 1 27 27 CYS HA H 1 3.518 0.020 . 1 . . . . . 27 CYS HA . 7166 1 150 . 1 1 27 27 CYS HB2 H 1 2.384 0.020 . 1 . . . . . 27 CYS HB2 . 7166 1 151 . 1 1 27 27 CYS HB3 H 1 2.384 0.020 . 1 . . . . . 27 CYS HB3 . 7166 1 152 . 1 1 28 28 ALA H H 1 8.204 0.020 . 1 . . . . . 28 ALA H . 7166 1 153 . 1 1 28 28 ALA HA H 1 3.768 0.020 . 1 . . . . . 28 ALA HA . 7166 1 154 . 1 1 28 28 ALA HB1 H 1 0.123 0.020 . 1 . . . . . 28 ALA HB . 7166 1 155 . 1 1 28 28 ALA HB2 H 1 0.123 0.020 . 1 . . . . . 28 ALA HB . 7166 1 156 . 1 1 28 28 ALA HB3 H 1 0.123 0.020 . 1 . . . . . 28 ALA HB . 7166 1 157 . 1 1 29 29 SER H H 1 8.207 0.020 . 1 . . . . . 29 SER H . 7166 1 158 . 1 1 29 29 SER HA H 1 4.110 0.020 . 1 . . . . . 29 SER HA . 7166 1 159 . 1 1 29 29 SER HB2 H 1 3.767 0.020 . 1 . . . . . 29 SER HB2 . 7166 1 160 . 1 1 29 29 SER HB3 H 1 3.767 0.020 . 1 . . . . . 29 SER HB3 . 7166 1 161 . 1 1 30 30 GLY H H 1 8.874 0.020 . 1 . . . . . 30 GLY H . 7166 1 162 . 1 1 30 30 GLY HA2 H 1 3.561 0.020 . 2 . . . . . 30 GLY HA2 . 7166 1 163 . 1 1 30 30 GLY HA3 H 1 4.343 0.020 . 2 . . . . . 30 GLY HA3 . 7166 1 164 . 1 1 31 31 TRP H H 1 8.391 0.020 . 1 . . . . . 31 TRP H . 7166 1 165 . 1 1 31 31 TRP HA H 1 4.763 0.020 . 1 . . . . . 31 TRP HA . 7166 1 166 . 1 1 31 31 TRP HB2 H 1 2.554 0.020 . 2 . . . . . 31 TRP HB2 . 7166 1 167 . 1 1 31 31 TRP HB3 H 1 2.982 0.020 . 2 . . . . . 31 TRP HB3 . 7166 1 168 . 1 1 31 31 TRP HD1 H 1 6.873 0.020 . 1 . . . . . 31 TRP HD1 . 7166 1 169 . 1 1 31 31 TRP HE1 H 1 10.391 0.020 . 1 . . . . . 31 TRP HE1 . 7166 1 170 . 1 1 31 31 TRP HE3 H 1 7.332 0.020 . 1 . . . . . 31 TRP HE3 . 7166 1 171 . 1 1 31 31 TRP HZ2 H 1 7.653 0.020 . 1 . . . . . 31 TRP HZ2 . 7166 1 172 . 1 1 31 31 TRP HZ3 H 1 6.933 0.020 . 1 . . . . . 31 TRP HZ3 . 7166 1 173 . 1 1 31 31 TRP HH2 H 1 7.331 0.020 . 1 . . . . . 31 TRP HH2 . 7166 1 174 . 1 1 32 32 HIS H H 1 8.866 0.020 . 1 . . . . . 32 HIS H . 7166 1 175 . 1 1 32 32 HIS HA H 1 5.062 0.020 . 1 . . . . . 32 HIS HA . 7166 1 176 . 1 1 32 32 HIS HB2 H 1 3.123 0.020 . 2 . . . . . 32 HIS HB2 . 7166 1 177 . 1 1 32 32 HIS HB3 H 1 3.158 0.020 . 2 . . . . . 32 HIS HB3 . 7166 1 178 . 1 1 32 32 HIS HD2 H 1 7.017 0.020 . 1 . . . . . 32 HIS HD2 . 7166 1 179 . 1 1 32 32 HIS HE1 H 1 8.403 0.020 . 1 . . . . . 32 HIS HE1 . 7166 1 180 . 1 1 33 33 LYS H H 1 9.275 0.020 . 1 . . . . . 33 LYS H . 7166 1 181 . 1 1 33 33 LYS HA H 1 4.362 0.020 . 1 . . . . . 33 LYS HA . 7166 1 182 . 1 1 33 33 LYS HB2 H 1 1.662 0.020 . 2 . . . . . 33 LYS HB2 . 7166 1 183 . 1 1 33 33 LYS HB3 H 1 1.895 0.020 . 2 . . . . . 33 LYS HB3 . 7166 1 184 . 1 1 33 33 LYS HG2 H 1 1.581 0.020 . 1 . . . . . 33 LYS HG2 . 7166 1 185 . 1 1 33 33 LYS HG3 H 1 1.581 0.020 . 1 . . . . . 33 LYS HG3 . 7166 1 186 . 1 1 33 33 LYS HD2 H 1 1.775 0.020 . 1 . . . . . 33 LYS HD2 . 7166 1 187 . 1 1 33 33 LYS HD3 H 1 1.775 0.020 . 1 . . . . . 33 LYS HD3 . 7166 1 188 . 1 1 33 33 LYS HE2 H 1 3.132 0.020 . 1 . . . . . 33 LYS HE2 . 7166 1 189 . 1 1 33 33 LYS HE3 H 1 3.132 0.020 . 1 . . . . . 33 LYS HE3 . 7166 1 190 . 1 1 33 33 LYS HZ1 H 1 7.135 0.020 . 1 . . . . . 33 LYS HZ1 . 7166 1 191 . 1 1 33 33 LYS HZ2 H 1 7.135 0.020 . 1 . . . . . 33 LYS HZ2 . 7166 1 192 . 1 1 33 33 LYS HZ3 H 1 7.135 0.020 . 1 . . . . . 33 LYS HZ3 . 7166 1 193 . 1 1 34 34 CYS H H 1 9.281 0.020 . 1 . . . . . 34 CYS H . 7166 1 194 . 1 1 34 34 CYS HA H 1 5.465 0.020 . 1 . . . . . 34 CYS HA . 7166 1 195 . 1 1 34 34 CYS HB2 H 1 3.225 0.020 . 2 . . . . . 34 CYS HB2 . 7166 1 196 . 1 1 34 34 CYS HB3 H 1 3.340 0.020 . 2 . . . . . 34 CYS HB3 . 7166 1 197 . 1 1 35 35 ASN H H 1 7.743 0.020 . 1 . . . . . 35 ASN H . 7166 1 198 . 1 1 35 35 ASN HA H 1 4.885 0.020 . 1 . . . . . 35 ASN HA . 7166 1 199 . 1 1 35 35 ASN HB2 H 1 2.902 0.020 . 2 . . . . . 35 ASN HB2 . 7166 1 200 . 1 1 35 35 ASN HB3 H 1 3.256 0.020 . 2 . . . . . 35 ASN HB3 . 7166 1 201 . 1 1 35 35 ASN HD21 H 1 7.058 0.020 . 2 . . . . . 35 ASN HD21 . 7166 1 202 . 1 1 35 35 ASN HD22 H 1 7.989 0.020 . 2 . . . . . 35 ASN HD22 . 7166 1 203 . 1 1 36 36 ASP H H 1 8.716 0.020 . 1 . . . . . 36 ASP H . 7166 1 204 . 1 1 36 36 ASP HA H 1 4.894 0.020 . 1 . . . . . 36 ASP HA . 7166 1 205 . 1 1 36 36 ASP HB2 H 1 2.646 0.020 . 2 . . . . . 36 ASP HB2 . 7166 1 206 . 1 1 36 36 ASP HB3 H 1 2.836 0.020 . 2 . . . . . 36 ASP HB3 . 7166 1 207 . 1 1 37 37 GLU H H 1 7.839 0.020 . 1 . . . . . 37 GLU H . 7166 1 208 . 1 1 37 37 GLU HA H 1 4.125 0.020 . 1 . . . . . 37 GLU HA . 7166 1 209 . 1 1 37 37 GLU HB2 H 1 1.843 0.020 . 1 . . . . . 37 GLU HB2 . 7166 1 210 . 1 1 37 37 GLU HB3 H 1 1.843 0.020 . 1 . . . . . 37 GLU HB3 . 7166 1 211 . 1 1 37 37 GLU HG2 H 1 2.169 0.020 . 1 . . . . . 37 GLU HG2 . 7166 1 212 . 1 1 37 37 GLU HG3 H 1 2.169 0.020 . 1 . . . . . 37 GLU HG3 . 7166 1 213 . 1 1 38 38 TYR H H 1 8.568 0.020 . 1 . . . . . 38 TYR H . 7166 1 214 . 1 1 38 38 TYR HA H 1 4.588 0.020 . 1 . . . . . 38 TYR HA . 7166 1 215 . 1 1 38 38 TYR HB2 H 1 2.844 0.020 . 1 . . . . . 38 TYR HB2 . 7166 1 216 . 1 1 38 38 TYR HB3 H 1 2.844 0.020 . 1 . . . . . 38 TYR HB3 . 7166 1 217 . 1 1 38 38 TYR HD1 H 1 7.016 0.020 . 1 . . . . . 38 TYR HD1 . 7166 1 218 . 1 1 38 38 TYR HD2 H 1 7.016 0.020 . 1 . . . . . 38 TYR HD2 . 7166 1 219 . 1 1 38 38 TYR HE1 H 1 6.702 0.020 . 1 . . . . . 38 TYR HE1 . 7166 1 220 . 1 1 38 38 TYR HE2 H 1 6.702 0.020 . 1 . . . . . 38 TYR HE2 . 7166 1 221 . 1 1 39 39 ASN H H 1 8.153 0.020 . 1 . . . . . 39 ASN H . 7166 1 222 . 1 1 39 39 ASN HA H 1 4.391 0.020 . 1 . . . . . 39 ASN HA . 7166 1 223 . 1 1 39 39 ASN HB2 H 1 2.293 0.020 . 2 . . . . . 39 ASN HB2 . 7166 1 224 . 1 1 39 39 ASN HB3 H 1 2.418 0.020 . 2 . . . . . 39 ASN HB3 . 7166 1 225 . 1 1 39 39 ASN HD21 H 1 6.616 0.020 . 2 . . . . . 39 ASN HD21 . 7166 1 226 . 1 1 39 39 ASN HD22 H 1 7.393 0.020 . 2 . . . . . 39 ASN HD22 . 7166 1 227 . 1 1 40 40 ILE H H 1 8.117 0.020 . 1 . . . . . 40 ILE H . 7166 1 228 . 1 1 40 40 ILE HA H 1 3.858 0.020 . 1 . . . . . 40 ILE HA . 7166 1 229 . 1 1 40 40 ILE HB H 1 1.826 0.020 . 1 . . . . . 40 ILE HB . 7166 1 230 . 1 1 40 40 ILE HG12 H 1 1.082 0.020 . 2 . . . . . 40 ILE HG12 . 7166 1 231 . 1 1 40 40 ILE HG13 H 1 1.312 0.020 . 2 . . . . . 40 ILE HG13 . 7166 1 232 . 1 1 40 40 ILE HG21 H 1 0.817 0.020 . 1 . . . . . 40 ILE HG2 . 7166 1 233 . 1 1 40 40 ILE HG22 H 1 0.817 0.020 . 1 . . . . . 40 ILE HG2 . 7166 1 234 . 1 1 40 40 ILE HG23 H 1 0.817 0.020 . 1 . . . . . 40 ILE HG2 . 7166 1 235 . 1 1 40 40 ILE HD11 H 1 0.768 0.020 . 1 . . . . . 40 ILE HD1 . 7166 1 236 . 1 1 40 40 ILE HD12 H 1 0.768 0.020 . 1 . . . . . 40 ILE HD1 . 7166 1 237 . 1 1 40 40 ILE HD13 H 1 0.768 0.020 . 1 . . . . . 40 ILE HD1 . 7166 1 238 . 1 1 41 41 ALA H H 1 8.357 0.020 . 1 . . . . . 41 ALA H . 7166 1 239 . 1 1 41 41 ALA HA H 1 4.295 0.020 . 1 . . . . . 41 ALA HA . 7166 1 240 . 1 1 41 41 ALA HB1 H 1 1.305 0.020 . 1 . . . . . 41 ALA HB . 7166 1 241 . 1 1 41 41 ALA HB2 H 1 1.305 0.020 . 1 . . . . . 41 ALA HB . 7166 1 242 . 1 1 41 41 ALA HB3 H 1 1.305 0.020 . 1 . . . . . 41 ALA HB . 7166 1 243 . 1 1 42 42 TYR H H 1 7.118 0.020 . 1 . . . . . 42 TYR H . 7166 1 244 . 1 1 42 42 TYR HA H 1 5.013 0.020 . 1 . . . . . 42 TYR HA . 7166 1 245 . 1 1 42 42 TYR HB2 H 1 2.657 0.020 . 2 . . . . . 42 TYR HB2 . 7166 1 246 . 1 1 42 42 TYR HB3 H 1 2.841 0.020 . 2 . . . . . 42 TYR HB3 . 7166 1 247 . 1 1 42 42 TYR HD1 H 1 6.675 0.020 . 1 . . . . . 42 TYR HD1 . 7166 1 248 . 1 1 42 42 TYR HD2 H 1 6.675 0.020 . 1 . . . . . 42 TYR HD2 . 7166 1 249 . 1 1 42 42 TYR HE1 H 1 6.609 0.020 . 1 . . . . . 42 TYR HE1 . 7166 1 250 . 1 1 42 42 TYR HE2 H 1 6.609 0.020 . 1 . . . . . 42 TYR HE2 . 7166 1 251 . 1 1 43 43 GLU H H 1 8.681 0.020 . 1 . . . . . 43 GLU H . 7166 1 252 . 1 1 43 43 GLU HA H 1 4.470 0.020 . 1 . . . . . 43 GLU HA . 7166 1 253 . 1 1 43 43 GLU HB2 H 1 1.739 0.020 . 2 . . . . . 43 GLU HB2 . 7166 1 254 . 1 1 43 43 GLU HB3 H 1 1.864 0.020 . 2 . . . . . 43 GLU HB3 . 7166 1 255 . 1 1 43 43 GLU HG2 H 1 2.297 0.020 . 2 . . . . . 43 GLU HG2 . 7166 1 256 . 1 1 43 43 GLU HG3 H 1 2.443 0.020 . 2 . . . . . 43 GLU HG3 . 7166 1 257 . 1 1 44 44 CYS H H 1 8.950 0.020 . 1 . . . . . 44 CYS H . 7166 1 258 . 1 1 44 44 CYS HA H 1 5.043 0.020 . 1 . . . . . 44 CYS HA . 7166 1 259 . 1 1 44 44 CYS HB2 H 1 2.846 0.020 . 2 . . . . . 44 CYS HB2 . 7166 1 260 . 1 1 44 44 CYS HB3 H 1 2.900 0.020 . 2 . . . . . 44 CYS HB3 . 7166 1 261 . 1 1 45 45 CYS H H 1 8.911 0.020 . 1 . . . . . 45 CYS H . 7166 1 262 . 1 1 45 45 CYS HA H 1 5.587 0.020 . 1 . . . . . 45 CYS HA . 7166 1 263 . 1 1 45 45 CYS HB2 H 1 2.916 0.020 . 2 . . . . . 45 CYS HB2 . 7166 1 264 . 1 1 45 45 CYS HB3 H 1 3.224 0.020 . 2 . . . . . 45 CYS HB3 . 7166 1 265 . 1 1 46 46 LYS H H 1 9.153 0.020 . 1 . . . . . 46 LYS H . 7166 1 266 . 1 1 46 46 LYS HA H 1 4.937 0.020 . 1 . . . . . 46 LYS HA . 7166 1 267 . 1 1 46 46 LYS HB2 H 1 1.571 0.020 . 1 . . . . . 46 LYS HB2 . 7166 1 268 . 1 1 46 46 LYS HB3 H 1 1.571 0.020 . 1 . . . . . 46 LYS HB3 . 7166 1 269 . 1 1 46 46 LYS HG2 H 1 1.464 0.020 . 1 . . . . . 46 LYS HG2 . 7166 1 270 . 1 1 46 46 LYS HG3 H 1 1.464 0.020 . 1 . . . . . 46 LYS HG3 . 7166 1 271 . 1 1 46 46 LYS HD2 H 1 1.722 0.020 . 1 . . . . . 46 LYS HD2 . 7166 1 272 . 1 1 46 46 LYS HD3 H 1 1.722 0.020 . 1 . . . . . 46 LYS HD3 . 7166 1 273 . 1 1 46 46 LYS HE2 H 1 2.941 0.020 . 1 . . . . . 46 LYS HE2 . 7166 1 274 . 1 1 46 46 LYS HE3 H 1 2.941 0.020 . 1 . . . . . 46 LYS HE3 . 7166 1 275 . 1 1 46 46 LYS HZ1 H 1 6.928 0.020 . 1 . . . . . 46 LYS HZ1 . 7166 1 276 . 1 1 46 46 LYS HZ2 H 1 6.928 0.020 . 1 . . . . . 46 LYS HZ2 . 7166 1 277 . 1 1 46 46 LYS HZ3 H 1 6.928 0.020 . 1 . . . . . 46 LYS HZ3 . 7166 1 278 . 1 1 47 47 GLN H H 1 8.404 0.020 . 1 . . . . . 47 GLN H . 7166 1 279 . 1 1 47 47 GLN HA H 1 4.763 0.020 . 1 . . . . . 47 GLN HA . 7166 1 280 . 1 1 47 47 GLN HB2 H 1 0.367 0.020 . 2 . . . . . 47 GLN HB2 . 7166 1 281 . 1 1 47 47 GLN HB3 H 1 0.738 0.020 . 2 . . . . . 47 GLN HB3 . 7166 1 282 . 1 1 47 47 GLN HG2 H 1 1.226 0.020 . 2 . . . . . 47 GLN HG2 . 7166 1 283 . 1 1 47 47 GLN HG3 H 1 3.110 0.020 . 2 . . . . . 47 GLN HG3 . 7166 1 284 . 1 1 47 47 GLN HE21 H 1 7.134 0.020 . 2 . . . . . 47 GLN HE21 . 7166 1 285 . 1 1 47 47 GLN HE22 H 1 7.540 0.020 . 2 . . . . . 47 GLN HE22 . 7166 1 stop_ save_