################################### # 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 26675 _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' . . . 26675 1 2 '2D 1H-1H NOESY' . . . 26675 1 3 '2D 1H-1H COSY' . . . 26675 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 GLY HA2 H 1 3.767 0.000 . 2 . . . . 1 Gly HA2 . 26675 1 2 . 1 1 1 1 GLY HA3 H 1 3.884 0.000 . 2 . . . . 1 Gly HA3 . 26675 1 3 . 1 1 2 2 TRP H H 1 8.495 0.003 . 1 . . . . 2 Trp H . 26675 1 4 . 1 1 2 2 TRP HA H 1 4.796 0.045 . 1 . . . . 2 Trp HA . 26675 1 5 . 1 1 2 2 TRP HB2 H 1 3.271 0.044 . 2 . . . . 2 Trp HB2 . 26675 1 6 . 1 1 2 2 TRP HB3 H 1 3.291 0.001 . 2 . . . . 2 Trp HB3 . 26675 1 7 . 1 1 2 2 TRP HD1 H 1 7.314 0.005 . 1 . . . . 2 Trp HD1 . 26675 1 8 . 1 1 2 2 TRP HE1 H 1 10.173 0.000 . 1 . . . . 2 Trp HE1 . 26675 1 9 . 1 1 2 2 TRP HE3 H 1 7.555 0.000 . 1 . . . . 2 Trp HE3 . 26675 1 10 . 1 1 2 2 TRP HZ2 H 1 7.508 0.000 . 1 . . . . 2 Trp HZ2 . 26675 1 11 . 1 1 3 3 CYS H H 1 7.734 0.008 . 1 . . . . 3 Cys H . 26675 1 12 . 1 1 3 3 CYS HA H 1 4.546 0.046 . 1 . . . . 3 Cys HA . 26675 1 13 . 1 1 3 3 CYS HB2 H 1 2.403 0.036 . 2 . . . . 3 Cys HB2 . 26675 1 14 . 1 1 3 3 CYS HB3 H 1 2.768 0.057 . 2 . . . . 3 Cys HB3 . 26675 1 15 . 1 1 4 4 GLY H H 1 9.076 0.049 . 1 . . . . 4 Gly H . 26675 1 16 . 1 1 4 4 GLY HA2 H 1 3.582 0.002 . 2 . . . . 4 Gly HA2 . 26675 1 17 . 1 1 4 4 GLY HA3 H 1 4.096 0.001 . 2 . . . . 4 Gly HA3 . 26675 1 18 . 1 1 5 5 ASP H H 1 9.034 0.000 . 1 . . . . 5 Asp H . 26675 1 19 . 1 1 5 5 ASP HA H 1 4.600 0.011 . 1 . . . . 5 Asp HA . 26675 1 20 . 1 1 5 5 ASP HB2 H 1 2.549 0.012 . 2 . . . . 5 Asp HB2 . 26675 1 21 . 1 1 5 5 ASP HB3 H 1 2.825 0.025 . 2 . . . . 5 Asp HB3 . 26675 1 22 . 1 1 6 6 HYP HA H 1 4.114 0.002 . 1 . . . . 6 Hyp HA . 26675 1 23 . 1 1 6 6 HYP HB2 H 1 2.026 0.002 . 2 . . . . 6 Hyp HB2 . 26675 1 24 . 1 1 6 6 HYP HB3 H 1 2.127 0.001 . 2 . . . . 6 Hyp HB3 . 26675 1 25 . 1 1 6 6 HYP HD23 H 1 3.729 0.000 . 1 . . . . 6 Hyp HD23 . 26675 1 26 . 1 1 7 7 GLY H H 1 9.414 0.001 . 1 . . . . 7 Gly H . 26675 1 27 . 1 1 7 7 GLY HA2 H 1 3.593 0.001 . 2 . . . . 7 Gly HA2 . 26675 1 28 . 1 1 7 7 GLY HA3 H 1 4.527 0.000 . 2 . . . . 7 Gly HA3 . 26675 1 29 . 1 1 8 8 ALA H H 1 8.308 0.001 . 1 . . . . 8 Ala H . 26675 1 30 . 1 1 8 8 ALA HA H 1 4.383 0.000 . 1 . . . . 8 Ala HA . 26675 1 31 . 1 1 8 8 ALA HB1 H 1 1.497 0.001 . 1 . . . . 8 Ala HB1 . 26675 1 32 . 1 1 8 8 ALA HB2 H 1 1.497 0.001 . 1 . . . . 8 Ala HB2 . 26675 1 33 . 1 1 8 8 ALA HB3 H 1 1.497 0.001 . 1 . . . . 8 Ala HB3 . 26675 1 34 . 1 1 9 9 THR H H 1 8.449 0.001 . 1 . . . . 9 Thr H . 26675 1 35 . 1 1 9 9 THR HA H 1 4.638 0.057 . 1 . . . . 9 Thr HA . 26675 1 36 . 1 1 9 9 THR HB H 1 3.992 0.061 . 1 . . . . 9 Thr HB . 26675 1 37 . 1 1 9 9 THR HG21 H 1 1.274 0.060 . 1 . . . . 9 Thr HG21 . 26675 1 38 . 1 1 9 9 THR HG22 H 1 1.274 0.060 . 1 . . . . 9 Thr HG22 . 26675 1 39 . 1 1 9 9 THR HG23 H 1 1.274 0.060 . 1 . . . . 9 Thr HG23 . 26675 1 40 . 1 1 10 10 CYS H H 1 8.191 0.001 . 1 . . . . 10 Cys H . 26675 1 41 . 1 1 10 10 CYS HA H 1 4.817 0.003 . 1 . . . . 10 Cys HA . 26675 1 42 . 1 1 10 10 CYS HB2 H 1 3.128 0.001 . 2 . . . . 10 Cys HB2 . 26675 1 43 . 1 1 10 10 CYS HB3 H 1 3.245 0.001 . 2 . . . . 10 Cys HB3 . 26675 1 44 . 1 1 11 11 GLY H H 1 8.416 0.003 . 1 . . . . 11 Gly H . 26675 1 45 . 1 1 11 11 GLY HA2 H 1 3.670 0.010 . 2 . . . . 11 Gly HA2 . 26675 1 46 . 1 1 11 11 GLY HA3 H 1 4.185 0.001 . 2 . . . . 11 Gly HA3 . 26675 1 47 . 1 1 12 12 LYS H H 1 7.947 0.001 . 1 . . . . 12 Lys H . 26675 1 48 . 1 1 12 12 LYS HA H 1 4.286 0.000 . 1 . . . . 12 Lys HA . 26675 1 49 . 1 1 13 13 LEU H H 1 8.497 0.001 . 1 . . . . 13 Leu H . 26675 1 50 . 1 1 13 13 LEU HA H 1 4.158 0.001 . 1 . . . . 13 Leu HA . 26675 1 51 . 1 1 13 13 LEU HB2 H 1 1.755 0.000 . 2 . . . . 13 Leu HB2 . 26675 1 52 . 1 1 13 13 LEU HB3 H 1 1.613 0.000 . 2 . . . . 13 Leu HB3 . 26675 1 53 . 1 1 13 13 LEU HG H 1 1.541 0.000 . 1 . . . . 13 Leu HG . 26675 1 54 . 1 1 13 13 LEU HD21 H 1 0.894 0.005 . 1 . . . . 13 Leu HD21 . 26675 1 55 . 1 1 13 13 LEU HD22 H 1 0.894 0.005 . 1 . . . . 13 Leu HD22 . 26675 1 56 . 1 1 13 13 LEU HD23 H 1 0.894 0.005 . 1 . . . . 13 Leu HD23 . 26675 1 57 . 1 1 14 14 ARG H H 1 8.052 0.001 . 1 . . . . 14 Arg H . 26675 1 58 . 1 1 14 14 ARG HA H 1 4.239 0.001 . 1 . . . . 14 Arg HA . 26675 1 59 . 1 1 14 14 ARG HB2 H 1 1.928 0.002 . 2 . . . . 14 Arg HB2 . 26675 1 60 . 1 1 14 14 ARG HB3 H 1 1.764 0.001 . 2 . . . . 14 Arg HB3 . 26675 1 61 . 1 1 14 14 ARG HG3 H 1 1.476 0.001 . 1 . . . . 14 Arg HG3 . 26675 1 62 . 1 1 14 14 ARG HD2 H 1 3.085 0.001 . 1 . . . . 14 Arg HD2 . 26675 1 63 . 1 1 14 14 ARG HE H 1 7.133 0.001 . 1 . . . . 14 Arg HE . 26675 1 64 . 1 1 15 15 LEU H H 1 7.951 0.002 . 1 . . . . 15 Leu H . 26675 1 65 . 1 1 15 15 LEU HA H 1 4.334 0.000 . 1 . . . . 15 Leu HA . 26675 1 66 . 1 1 15 15 LEU HB2 H 1 1.580 0.000 . 2 . . . . 15 Leu HB2 . 26675 1 67 . 1 1 15 15 LEU HB3 H 1 1.703 0.000 . 2 . . . . 15 Leu HB3 . 26675 1 68 . 1 1 15 15 LEU HD11 H 1 0.766 0.000 . 1 . . . . 15 Leu HD11 . 26675 1 69 . 1 1 15 15 LEU HD12 H 1 0.766 0.000 . 1 . . . . 15 Leu HD12 . 26675 1 70 . 1 1 15 15 LEU HD13 H 1 0.766 0.000 . 1 . . . . 15 Leu HD13 . 26675 1 71 . 1 1 16 16 TYR H H 1 8.297 0.001 . 1 . . . . 16 Tyr H . 26675 1 72 . 1 1 16 16 TYR HA H 1 4.659 0.001 . 1 . . . . 16 Tyr HA . 26675 1 73 . 1 1 16 16 TYR HB2 H 1 3.022 0.001 . 1 . . . . 16 Tyr HB2 . 26675 1 74 . 1 1 16 16 TYR HB3 H 1 3.021 0.001 . 1 . . . . 16 Tyr HB3 . 26675 1 75 . 1 1 16 16 TYR HD1 H 1 7.157 0.002 . 3 . . . . 16 Tyr HD1 . 26675 1 76 . 1 1 16 16 TYR HD2 H 1 7.157 0.002 . 3 . . . . 16 Tyr HD2 . 26675 1 77 . 1 1 16 16 TYR HE1 H 1 6.859 0.009 . 3 . . . . 16 Tyr HE1 . 26675 1 78 . 1 1 16 16 TYR HE2 H 1 6.859 0.009 . 3 . . . . 16 Tyr HE2 . 26675 1 79 . 1 1 17 17 CYS H H 1 9.099 0.002 . 1 . . . . 17 Cys H . 26675 1 80 . 1 1 17 17 CYS HA H 1 4.648 0.078 . 1 . . . . 17 Cys HA . 26675 1 81 . 1 1 17 17 CYS HB2 H 1 2.335 0.048 . 2 . . . . 17 Cys HB2 . 26675 1 82 . 1 1 17 17 CYS HB3 H 1 3.277 0.049 . 2 . . . . 17 Cys HB3 . 26675 1 83 . 1 1 18 18 CYS H H 1 10.110 0.001 . 1 . . . . 18 Cys H . 26675 1 84 . 1 1 18 18 CYS HA H 1 4.278 0.056 . 1 . . . . 18 Cys HA . 26675 1 85 . 1 1 18 18 CYS HB2 H 1 2.678 0.050 . 2 . . . . 18 Cys HB2 . 26675 1 86 . 1 1 18 18 CYS HB3 H 1 3.113 0.044 . 2 . . . . 18 Cys HB3 . 26675 1 87 . 1 1 19 19 SER H H 1 9.221 0.001 . 1 . . . . 19 Ser H . 26675 1 88 . 1 1 19 19 SER HA H 1 4.262 0.000 . 1 . . . . 19 Ser HA . 26675 1 89 . 1 1 19 19 SER HB2 H 1 3.733 0.000 . 2 . . . . 19 Ser HB2 . 26675 1 90 . 1 1 19 19 SER HB3 H 1 4.197 0.066 . 2 . . . . 19 Ser HB3 . 26675 1 91 . 1 1 20 20 GLY H H 1 7.712 0.001 . 1 . . . . 20 Gly H . 26675 1 92 . 1 1 20 20 GLY HA2 H 1 3.766 0.061 . 2 . . . . 20 Gly HA2 . 26675 1 93 . 1 1 20 20 GLY HA3 H 1 4.235 0.049 . 2 . . . . 20 Gly HA3 . 26675 1 94 . 1 1 21 21 PHE H H 1 8.641 0.002 . 1 . . . . 21 Phe H . 26675 1 95 . 1 1 21 21 PHE HA H 1 4.916 0.054 . 1 . . . . 21 Phe HA . 26675 1 96 . 1 1 21 21 PHE HB2 H 1 2.767 0.050 . 2 . . . . 21 Phe HB2 . 26675 1 97 . 1 1 21 21 PHE HB3 H 1 3.147 0.045 . 2 . . . . 21 Phe HB3 . 26675 1 98 . 1 1 21 21 PHE HD1 H 1 7.131 0.001 . 3 . . . . 21 Phe HD1 . 26675 1 99 . 1 1 21 21 PHE HD2 H 1 7.131 0.001 . 3 . . . . 21 Phe HD2 . 26675 1 100 . 1 1 21 21 PHE HE1 H 1 7.346 0.006 . 3 . . . . 21 Phe HE1 . 26675 1 101 . 1 1 21 21 PHE HE2 H 1 7.346 0.006 . 3 . . . . 21 Phe HE2 . 26675 1 102 . 1 1 22 22 CYS H H 1 8.366 0.031 . 1 . . . . 22 Cys H . 26675 1 103 . 1 1 22 22 CYS HA H 1 4.675 0.056 . 1 . . . . 22 Cys HA . 26675 1 104 . 1 1 22 22 CYS HB2 H 1 2.635 0.055 . 2 . . . . 22 Cys HB2 . 26675 1 105 . 1 1 22 22 CYS HB3 H 1 2.957 0.058 . 2 . . . . 22 Cys HB3 . 26675 1 106 . 1 1 23 23 ASP H H 1 8.294 0.001 . 1 . . . . 23 Asp H . 26675 1 107 . 1 1 23 23 ASP HA H 1 4.347 0.000 . 1 . . . . 23 Asp HA . 26675 1 108 . 1 1 23 23 ASP HB2 H 1 2.391 0.002 . 2 . . . . 23 Asp HB2 . 26675 1 109 . 1 1 23 23 ASP HB3 H 1 3.299 0.001 . 2 . . . . 23 Asp HB3 . 26675 1 110 . 1 1 24 24 CYS H H 1 8.840 0.001 . 1 . . . . 24 Cys H . 26675 1 111 . 1 1 24 24 CYS HA H 1 4.258 0.000 . 1 . . . . 24 Cys HA . 26675 1 112 . 1 1 24 24 CYS HB2 H 1 3.080 0.000 . 2 . . . . 24 Cys HB2 . 26675 1 113 . 1 1 24 24 CYS HB3 H 1 3.021 0.000 . 2 . . . . 24 Cys HB3 . 26675 1 114 . 1 1 25 25 TYR H H 1 8.406 0.000 . 1 . . . . 25 Tyr H . 26675 1 115 . 1 1 25 25 TYR HA H 1 4.394 0.001 . 1 . . . . 25 Tyr HA . 26675 1 116 . 1 1 25 25 TYR HB2 H 1 3.279 0.001 . 2 . . . . 25 Tyr HB2 . 26675 1 117 . 1 1 25 25 TYR HB3 H 1 3.230 0.001 . 2 . . . . 25 Tyr HB3 . 26675 1 118 . 1 1 25 25 TYR HD1 H 1 7.304 0.001 . 3 . . . . 25 Tyr HD1 . 26675 1 119 . 1 1 25 25 TYR HD2 H 1 7.304 0.001 . 3 . . . . 25 Tyr HD2 . 26675 1 120 . 1 1 25 25 TYR HE1 H 1 6.890 0.004 . 3 . . . . 25 Tyr HE1 . 26675 1 121 . 1 1 25 25 TYR HE2 H 1 6.890 0.004 . 3 . . . . 25 Tyr HE2 . 26675 1 122 . 1 1 26 26 THR H H 1 7.599 0.057 . 1 . . . . 26 Thr H . 26675 1 123 . 1 1 26 26 THR HA H 1 4.238 0.000 . 1 . . . . 26 Thr HA . 26675 1 124 . 1 1 26 26 THR HB H 1 4.357 0.001 . 1 . . . . 26 Thr HB . 26675 1 125 . 1 1 26 26 THR HG21 H 1 1.242 0.002 . 1 . . . . 26 Thr HG21 . 26675 1 126 . 1 1 26 26 THR HG22 H 1 1.242 0.002 . 1 . . . . 26 Thr HG22 . 26675 1 127 . 1 1 26 26 THR HG23 H 1 1.242 0.002 . 1 . . . . 26 Thr HG23 . 26675 1 128 . 1 1 27 27 LYS H H 1 8.416 0.001 . 1 . . . . 27 Lys H . 26675 1 129 . 1 1 27 27 LYS HA H 1 3.666 0.049 . 1 . . . . 27 Lys HA . 26675 1 130 . 1 1 27 27 LYS HB2 H 1 2.048 0.059 . 2 . . . . 27 Lys HB2 . 26675 1 131 . 1 1 27 27 LYS HB3 H 1 2.182 0.067 . 2 . . . . 27 Lys HB3 . 26675 1 132 . 1 1 27 27 LYS HG2 H 1 1.351 0.002 . 2 . . . . 27 Lys HG2 . 26675 1 133 . 1 1 27 27 LYS HG3 H 1 1.350 0.001 . 2 . . . . 27 Lys HG3 . 26675 1 134 . 1 1 27 27 LYS HD2 H 1 1.566 0.071 . 2 . . . . 27 Lys HD2 . 26675 1 135 . 1 1 27 27 LYS HD3 H 1 1.630 0.059 . 2 . . . . 27 Lys HD3 . 26675 1 136 . 1 1 27 27 LYS HE2 H 1 3.036 0.000 . 1 . . . . 27 Lys HE2 . 26675 1 137 . 1 1 27 27 LYS HE3 H 1 3.036 0.000 . 1 . . . . 27 Lys HE3 . 26675 1 138 . 1 1 27 27 LYS HZ1 H 1 7.532 0.000 . 1 . . . . 27 Lys HZ1 . 26675 1 139 . 1 1 27 27 LYS HZ2 H 1 7.532 0.000 . 1 . . . . 27 Lys HZ2 . 26675 1 140 . 1 1 27 27 LYS HZ3 H 1 7.532 0.000 . 1 . . . . 27 Lys HZ3 . 26675 1 141 . 1 1 28 28 THR H H 1 7.210 0.003 . 1 . . . . 28 Thr H . 26675 1 142 . 1 1 28 28 THR HA H 1 5.285 0.000 . 1 . . . . 28 Thr HA . 26675 1 143 . 1 1 28 28 THR HB H 1 3.711 0.000 . 1 . . . . 28 Thr HB . 26675 1 144 . 1 1 28 28 THR HG21 H 1 1.033 0.001 . 1 . . . . 28 Thr HG21 . 26675 1 145 . 1 1 28 28 THR HG22 H 1 1.033 0.001 . 1 . . . . 28 Thr HG22 . 26675 1 146 . 1 1 28 28 THR HG23 H 1 1.033 0.001 . 1 . . . . 28 Thr HG23 . 26675 1 147 . 1 1 29 29 CYS H H 1 9.006 0.007 . 1 . . . . 29 Cys H . 26675 1 148 . 1 1 29 29 CYS HA H 1 5.045 0.002 . 1 . . . . 29 Cys HA . 26675 1 149 . 1 1 29 29 CYS HB2 H 1 2.881 0.003 . 2 . . . . 29 Cys HB2 . 26675 1 150 . 1 1 29 29 CYS HB3 H 1 3.312 0.002 . 2 . . . . 29 Cys HB3 . 26675 1 151 . 1 1 30 30 LYS H H 1 8.669 0.002 . 1 . . . . 30 Lys H . 26675 1 152 . 1 1 30 30 LYS HA H 1 4.825 0.000 . 1 . . . . 30 Lys HA . 26675 1 153 . 1 1 30 30 LYS HB2 H 1 1.635 0.000 . 2 . . . . 30 Lys HB2 . 26675 1 154 . 1 1 30 30 LYS HB3 H 1 1.946 0.002 . 2 . . . . 30 Lys HB3 . 26675 1 155 . 1 1 30 30 LYS HG2 H 1 1.496 0.000 . 1 . . . . 30 Lys HG2 . 26675 1 156 . 1 1 30 30 LYS HG3 H 1 1.496 0.000 . 1 . . . . 30 Lys HG3 . 26675 1 157 . 1 1 30 30 LYS HD2 H 1 1.751 0.001 . 2 . . . . 30 Lys HD2 . 26675 1 158 . 1 1 30 30 LYS HD3 H 1 1.751 0.000 . 2 . . . . 30 Lys HD3 . 26675 1 159 . 1 1 30 30 LYS HE2 H 1 2.987 0.002 . 1 . . . . 30 Lys HE2 . 26675 1 160 . 1 1 30 30 LYS HE3 H 1 2.987 0.002 . 1 . . . . 30 Lys HE3 . 26675 1 161 . 1 1 30 30 LYS HZ1 H 1 7.605 0.000 . 1 . . . . 30 Lys HZ1 . 26675 1 162 . 1 1 30 30 LYS HZ2 H 1 7.605 0.000 . 1 . . . . 30 Lys HZ2 . 26675 1 163 . 1 1 30 30 LYS HZ3 H 1 7.605 0.000 . 1 . . . . 30 Lys HZ3 . 26675 1 164 . 1 1 31 31 ASP H H 1 8.763 0.002 . 1 . . . . 31 Asp H . 26675 1 165 . 1 1 31 31 ASP HA H 1 4.737 0.068 . 1 . . . . 31 Asp HA . 26675 1 166 . 1 1 31 31 ASP HB2 H 1 2.685 0.013 . 2 . . . . 31 Asp HB2 . 26675 1 167 . 1 1 31 31 ASP HB3 H 1 2.818 0.017 . 2 . . . . 31 Asp HB3 . 26675 1 168 . 1 1 32 32 LYS H H 1 8.503 0.001 . 1 . . . . 32 Lys H . 26675 1 169 . 1 1 32 32 LYS HA H 1 4.066 0.000 . 1 . . . . 32 Lys HA . 26675 1 170 . 1 1 32 32 LYS HG3 H 1 1.288 0.000 . 1 . . . . 32 Lys HG3 . 26675 1 171 . 1 1 33 33 SER H H 1 8.266 0.001 . 1 . . . . 33 Ser H . 26675 1 172 . 1 1 33 33 SER HA H 1 4.327 0.001 . 1 . . . . 33 Ser HA . 26675 1 173 . 1 1 33 33 SER HB2 H 1 3.776 0.001 . 2 . . . . 33 Ser HB2 . 26675 1 174 . 1 1 33 33 SER HB3 H 1 3.829 0.002 . 2 . . . . 33 Ser HB3 . 26675 1 175 . 1 1 34 34 SER H H 1 8.204 0.001 . 1 . . . . 34 Ser H . 26675 1 176 . 1 1 34 34 SER HA H 1 4.472 0.001 . 1 . . . . 34 Ser HA . 26675 1 177 . 1 1 34 34 SER HB2 H 1 3.903 0.000 . 1 . . . . 34 Ser HB2 . 26675 1 178 . 1 1 34 34 SER HB3 H 1 3.903 0.000 . 1 . . . . 34 Ser HB3 . 26675 1 179 . 1 1 35 35 ALA H H 1 8.076 0.001 . 1 . . . . 35 Ala H . 26675 1 180 . 1 1 35 35 ALA HA H 1 4.225 0.000 . 1 . . . . 35 Ala HA . 26675 1 181 . 1 1 35 35 ALA HB1 H 1 1.344 0.000 . 1 . . . . 35 Ala HB1 . 26675 1 182 . 1 1 35 35 ALA HB2 H 1 1.344 0.000 . 1 . . . . 35 Ala HB2 . 26675 1 183 . 1 1 35 35 ALA HB3 H 1 1.344 0.000 . 1 . . . . 35 Ala HB3 . 26675 1 stop_ save_