################################### # 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 19746 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 5 '2D 1H-1H TOCSY' . . . 19746 1 6 '2D 1H-1H NOESY' . . . 19746 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 LYS H H 1 8.293 0.005 . . . . . A 2 LYS H . 19746 1 2 . 1 1 2 2 LYS HA H 1 5.347 0.009 . . . . . A 2 LYS HA . 19746 1 3 . 1 1 2 2 LYS HB2 H 1 1.162 0.008 . . . . . A 2 LYS HB2 . 19746 1 4 . 1 1 2 2 LYS HB3 H 1 1.225 0.009 . . . . . A 2 LYS HB3 . 19746 1 5 . 1 1 2 2 LYS HG2 H 1 1.366 0.099 . . . . . A 2 LYS HG2 . 19746 1 6 . 1 1 2 2 LYS HG3 H 1 1.302 0.074 . . . . . A 2 LYS HG3 . 19746 1 7 . 1 1 3 3 CYS H H 1 8.348 0.003 . . . . . A 3 CYS H . 19746 1 8 . 1 1 3 3 CYS HA H 1 4.901 0.014 . . . . . A 3 CYS HA . 19746 1 9 . 1 1 3 3 CYS HB2 H 1 2.873 0.001 . . . . . A 3 CYS HB2 . 19746 1 10 . 1 1 3 3 CYS HB3 H 1 2.319 0.001 . . . . . A 3 CYS HB3 . 19746 1 11 . 1 1 4 4 TYR H H 1 9.500 0.001 . . . . . A 4 TYR H . 19746 1 12 . 1 1 4 4 TYR HA H 1 4.541 0.012 . . . . . A 4 TYR HA . 19746 1 13 . 1 1 4 4 TYR HB2 H 1 2.450 0.002 . . . . . A 4 TYR HB2 . 19746 1 14 . 1 1 4 4 TYR HB3 H 1 2.336 0.006 . . . . . A 4 TYR HB3 . 19746 1 15 . 1 1 4 4 TYR HD1 H 1 6.606 0.001 . . . . . A 4 TYR HD1 . 19746 1 16 . 1 1 4 4 TYR HD2 H 1 6.606 0.001 . . . . . A 4 TYR HD2 . 19746 1 17 . 1 1 4 4 TYR HE1 H 1 6.748 0.001 . . . . . A 4 TYR HE1 . 19746 1 18 . 1 1 4 4 TYR HE2 H 1 6.748 0.001 . . . . . A 4 TYR HE2 . 19746 1 19 . 1 1 5 5 GLN H H 1 9.293 0.002 . . . . . A 5 GLN H . 19746 1 20 . 1 1 5 5 GLN HA H 1 4.328 0.017 . . . . . A 5 GLN HA . 19746 1 21 . 1 1 5 5 GLN HB2 H 1 1.926 0.007 . . . . . A 5 GLN HB2 . 19746 1 22 . 1 1 5 5 GLN HB3 H 1 1.746 0.005 . . . . . A 5 GLN HB3 . 19746 1 23 . 1 1 5 5 GLN HG2 H 1 2.451 0.002 . . . . . A 5 GLN HG2 . 19746 1 24 . 1 1 5 5 GLN HG3 H 1 2.451 0.002 . . . . . A 5 GLN HG3 . 19746 1 25 . 1 1 6 6 HIS H H 1 8.622 0.004 . . . . . A 6 HIS H . 19746 1 26 . 1 1 6 6 HIS HA H 1 4.432 0.009 . . . . . A 6 HIS HA . 19746 1 27 . 1 1 6 6 HIS HB2 H 1 3.483 0.003 . . . . . A 6 HIS HB2 . 19746 1 28 . 1 1 6 6 HIS HB3 H 1 3.228 0.002 . . . . . A 6 HIS HB3 . 19746 1 29 . 1 1 7 7 GLY H H 1 8.394 0.002 . . . . . A 7 GLY H . 19746 1 30 . 1 1 7 7 GLY HA2 H 1 4.258 0.016 . . . . . A 7 GLY HA2 . 19746 1 31 . 1 1 7 7 GLY HA3 H 1 3.681 0.004 . . . . . A 7 GLY HA3 . 19746 1 32 . 1 1 8 8 LYS H H 1 7.667 0.003 . . . . . A 8 LYS H . 19746 1 33 . 1 1 8 8 LYS HA H 1 4.746 0.017 . . . . . A 8 LYS HA . 19746 1 34 . 1 1 8 8 LYS HB2 H 1 1.847 0.001 . . . . . A 8 LYS HB2 . 19746 1 35 . 1 1 8 8 LYS HB3 H 1 1.755 0.002 . . . . . A 8 LYS HB3 . 19746 1 36 . 1 1 8 8 LYS HG2 H 1 1.437 0.002 . . . . . A 8 LYS HG2 . 19746 1 37 . 1 1 8 8 LYS HG3 H 1 1.437 0.002 . . . . . A 8 LYS HG3 . 19746 1 38 . 1 1 8 8 LYS HD2 H 1 1.700 0.003 . . . . . A 8 LYS HD2 . 19746 1 39 . 1 1 8 8 LYS HD3 H 1 1.700 0.003 . . . . . A 8 LYS HD3 . 19746 1 40 . 1 1 8 8 LYS HE2 H 1 3.029 0.002 . . . . . A 8 LYS HE2 . 19746 1 41 . 1 1 8 8 LYS HE3 H 1 3.029 0.002 . . . . . A 8 LYS HE3 . 19746 1 42 . 1 1 9 9 VAL H H 1 8.452 0.004 . . . . . A 9 VAL H . 19746 1 43 . 1 1 9 9 VAL HA H 1 3.808 0.002 . . . . . A 9 VAL HA . 19746 1 44 . 1 1 9 9 VAL HB H 1 1.690 0.001 . . . . . A 9 VAL HB . 19746 1 45 . 1 1 9 9 VAL HG11 H 1 0.455 0.001 . . . . . A 9 VAL HG11 . 19746 1 46 . 1 1 9 9 VAL HG12 H 1 0.455 0.001 . . . . . A 9 VAL HG12 . 19746 1 47 . 1 1 9 9 VAL HG13 H 1 0.455 0.001 . . . . . A 9 VAL HG13 . 19746 1 48 . 1 1 9 9 VAL HG21 H 1 0.299 0.033 . . . . . A 9 VAL HG21 . 19746 1 49 . 1 1 9 9 VAL HG22 H 1 0.299 0.033 . . . . . A 9 VAL HG22 . 19746 1 50 . 1 1 9 9 VAL HG23 H 1 0.299 0.033 . . . . . A 9 VAL HG23 . 19746 1 51 . 1 1 10 10 VAL H H 1 8.907 0.004 . . . . . A 10 VAL H . 19746 1 52 . 1 1 10 10 VAL HA H 1 4.578 0.014 . . . . . A 10 VAL HA . 19746 1 53 . 1 1 10 10 VAL HB H 1 2.037 0.003 . . . . . A 10 VAL HB . 19746 1 54 . 1 1 10 10 VAL HG11 H 1 0.846 0.001 . . . . . A 10 VAL HG11 . 19746 1 55 . 1 1 10 10 VAL HG12 H 1 0.846 0.001 . . . . . A 10 VAL HG12 . 19746 1 56 . 1 1 10 10 VAL HG13 H 1 0.846 0.001 . . . . . A 10 VAL HG13 . 19746 1 57 . 1 1 10 10 VAL HG21 H 1 0.711 0.002 . . . . . A 10 VAL HG21 . 19746 1 58 . 1 1 10 10 VAL HG22 H 1 0.711 0.002 . . . . . A 10 VAL HG22 . 19746 1 59 . 1 1 10 10 VAL HG23 H 1 0.711 0.002 . . . . . A 10 VAL HG23 . 19746 1 60 . 1 1 11 11 THR H H 1 8.441 0.004 . . . . . A 11 THR H . 19746 1 61 . 1 1 11 11 THR HA H 1 4.395 0.010 . . . . . A 11 THR HA . 19746 1 62 . 1 1 11 11 THR HB H 1 3.961 0.004 . . . . . A 11 THR HB . 19746 1 63 . 1 1 11 11 THR HG21 H 1 1.145 0.002 . . . . . A 11 THR HG21 . 19746 1 64 . 1 1 11 11 THR HG22 H 1 1.145 0.002 . . . . . A 11 THR HG22 . 19746 1 65 . 1 1 11 11 THR HG23 H 1 1.145 0.002 . . . . . A 11 THR HG23 . 19746 1 66 . 1 1 12 12 CYS H H 1 8.864 0.001 . . . . . A 12 CYS H . 19746 1 67 . 1 1 12 12 CYS HA H 1 4.635 0.002 . . . . . A 12 CYS HA . 19746 1 68 . 1 1 12 12 CYS HB2 H 1 3.226 0.003 . . . . . A 12 CYS HB2 . 19746 1 69 . 1 1 12 12 CYS HB3 H 1 2.789 0.011 . . . . . A 12 CYS HB3 . 19746 1 70 . 1 1 13 13 HIS H H 1 9.706 0.002 . . . . . A 13 HIS H . 19746 1 71 . 1 1 13 13 HIS HA H 1 3.989 0.000 . . . . . A 13 HIS HA . 19746 1 72 . 1 1 13 13 HIS HB2 H 1 3.256 0.003 . . . . . A 13 HIS HB2 . 19746 1 73 . 1 1 13 13 HIS HB3 H 1 3.028 0.005 . . . . . A 13 HIS HB3 . 19746 1 74 . 1 1 14 14 ARG H H 1 8.791 0.001 . . . . . A 14 ARG H . 19746 1 75 . 1 1 14 14 ARG HA H 1 4.384 0.002 . . . . . A 14 ARG HA . 19746 1 76 . 1 1 15 15 ASP H H 1 7.956 0.001 . . . . . A 15 ASP H . 19746 1 77 . 1 1 15 15 ASP HA H 1 4.544 0.005 . . . . . A 15 ASP HA . 19746 1 78 . 1 1 15 15 ASP HB2 H 1 2.881 0.000 . . . . . A 15 ASP HB2 . 19746 1 79 . 1 1 15 15 ASP HB3 H 1 2.808 0.000 . . . . . A 15 ASP HB3 . 19746 1 80 . 1 1 16 16 MET H H 1 8.064 0.002 . . . . . A 16 MET H . 19746 1 81 . 1 1 16 16 MET HA H 1 4.348 0.009 . . . . . A 16 MET HA . 19746 1 82 . 1 1 16 16 MET HB2 H 1 2.324 0.002 . . . . . A 16 MET HB2 . 19746 1 83 . 1 1 16 16 MET HB3 H 1 1.774 0.009 . . . . . A 16 MET HB3 . 19746 1 84 . 1 1 16 16 MET HG2 H 1 2.761 0.001 . . . . . A 16 MET HG2 . 19746 1 85 . 1 1 16 16 MET HG3 H 1 2.472 0.004 . . . . . A 16 MET HG3 . 19746 1 86 . 1 1 17 17 LYS H H 1 7.659 0.003 . . . . . A 17 LYS H . 19746 1 87 . 1 1 17 17 LYS HA H 1 4.249 0.008 . . . . . A 17 LYS HA . 19746 1 88 . 1 1 17 17 LYS HE2 H 1 2.963 0.000 . . . . . A 17 LYS HE2 . 19746 1 89 . 1 1 17 17 LYS HE3 H 1 2.963 0.000 . . . . . A 17 LYS HE3 . 19746 1 90 . 1 1 18 18 PHE H H 1 8.218 0.004 . . . . . A 18 PHE H . 19746 1 91 . 1 1 18 18 PHE HA H 1 5.046 0.010 . . . . . A 18 PHE HA . 19746 1 92 . 1 1 18 18 PHE HB2 H 1 3.138 0.012 . . . . . A 18 PHE HB2 . 19746 1 93 . 1 1 18 18 PHE HB3 H 1 2.696 0.001 . . . . . A 18 PHE HB3 . 19746 1 94 . 1 1 19 19 CYS H H 1 9.289 0.005 . . . . . A 19 CYS H . 19746 1 95 . 1 1 19 19 CYS HA H 1 5.956 0.002 . . . . . A 19 CYS HA . 19746 1 96 . 1 1 19 19 CYS HB2 H 1 3.103 0.002 . . . . . A 19 CYS HB2 . 19746 1 97 . 1 1 19 19 CYS HB3 H 1 2.938 0.003 . . . . . A 19 CYS HB3 . 19746 1 98 . 1 1 20 20 TYR H H 1 8.847 0.005 . . . . . A 20 TYR H . 19746 1 99 . 1 1 20 20 TYR HA H 1 6.157 0.002 . . . . . A 20 TYR HA . 19746 1 100 . 1 1 20 20 TYR HB2 H 1 3.304 0.006 . . . . . A 20 TYR HB2 . 19746 1 101 . 1 1 20 20 TYR HB3 H 1 2.922 0.006 . . . . . A 20 TYR HB3 . 19746 1 102 . 1 1 21 21 HIS H H 1 8.688 0.003 . . . . . A 21 HIS H . 19746 1 103 . 1 1 21 21 HIS HA H 1 5.154 0.009 . . . . . A 21 HIS HA . 19746 1 104 . 1 1 21 21 HIS HB2 H 1 3.282 0.002 . . . . . A 21 HIS HB2 . 19746 1 105 . 1 1 21 21 HIS HB3 H 1 2.942 0.003 . . . . . A 21 HIS HB3 . 19746 1 106 . 1 1 22 22 ASN H H 1 9.679 0.003 . . . . . A 22 ASN H . 19746 1 107 . 1 1 22 22 ASN HA H 1 5.767 0.003 . . . . . A 22 ASN HA . 19746 1 108 . 1 1 22 22 ASN HB2 H 1 3.067 0.007 . . . . . A 22 ASN HB2 . 19746 1 109 . 1 1 22 22 ASN HB3 H 1 3.067 0.007 . . . . . A 22 ASN HB3 . 19746 1 110 . 1 1 23 23 THR H H 1 8.501 0.003 . . . . . A 23 THR H . 19746 1 111 . 1 1 23 23 THR HA H 1 4.536 0.014 . . . . . A 23 THR HA . 19746 1 112 . 1 1 23 23 THR HB H 1 4.360 0.005 . . . . . A 23 THR HB . 19746 1 113 . 1 1 23 23 THR HG21 H 1 0.989 0.001 . . . . . A 23 THR HG21 . 19746 1 114 . 1 1 23 23 THR HG22 H 1 0.989 0.001 . . . . . A 23 THR HG22 . 19746 1 115 . 1 1 23 23 THR HG23 H 1 0.989 0.001 . . . . . A 23 THR HG23 . 19746 1 116 . 1 1 24 24 GLY H H 1 8.549 0.002 . . . . . A 24 GLY H . 19746 1 117 . 1 1 24 24 GLY HA2 H 1 4.085 0.009 . . . . . A 24 GLY HA2 . 19746 1 118 . 1 1 24 24 GLY HA3 H 1 3.862 0.002 . . . . . A 24 GLY HA3 . 19746 1 119 . 1 1 25 25 MET H H 1 8.306 0.001 . . . . . A 25 MET H . 19746 1 120 . 1 1 25 25 MET HA H 1 4.791 0.000 . . . . . A 25 MET HA . 19746 1 121 . 1 1 25 25 MET HB2 H 1 1.976 0.000 . . . . . A 25 MET HB2 . 19746 1 122 . 1 1 25 25 MET HB3 H 1 1.910 0.001 . . . . . A 25 MET HB3 . 19746 1 123 . 1 1 25 25 MET HG2 H 1 2.568 0.000 . . . . . A 25 MET HG2 . 19746 1 124 . 1 1 25 25 MET HG3 H 1 2.513 0.000 . . . . . A 25 MET HG3 . 19746 1 125 . 1 1 30 30 LEU H H 1 7.637 0.001 . . . . . A 30 LEU H . 19746 1 126 . 1 1 30 30 LEU HA H 1 4.376 0.014 . . . . . A 30 LEU HA . 19746 1 127 . 1 1 30 30 LEU HB2 H 1 1.526 0.000 . . . . . A 30 LEU HB2 . 19746 1 128 . 1 1 30 30 LEU HB3 H 1 1.526 0.000 . . . . . A 30 LEU HB3 . 19746 1 129 . 1 1 30 30 LEU HD11 H 1 0.886 0.000 . . . . . A 30 LEU HD11 . 19746 1 130 . 1 1 30 30 LEU HD12 H 1 0.886 0.000 . . . . . A 30 LEU HD12 . 19746 1 131 . 1 1 30 30 LEU HD13 H 1 0.886 0.000 . . . . . A 30 LEU HD13 . 19746 1 132 . 1 1 30 30 LEU HD21 H 1 0.811 0.000 . . . . . A 30 LEU HD21 . 19746 1 133 . 1 1 30 30 LEU HD22 H 1 0.811 0.000 . . . . . A 30 LEU HD22 . 19746 1 134 . 1 1 30 30 LEU HD23 H 1 0.811 0.000 . . . . . A 30 LEU HD23 . 19746 1 135 . 1 1 31 31 LYS H H 1 8.000 0.002 . . . . . A 31 LYS H . 19746 1 136 . 1 1 31 31 LYS HA H 1 4.244 0.001 . . . . . A 31 LYS HA . 19746 1 137 . 1 1 31 31 LYS HE2 H 1 3.178 0.001 . . . . . A 31 LYS HE2 . 19746 1 138 . 1 1 31 31 LYS HE3 H 1 3.041 0.000 . . . . . A 31 LYS HE3 . 19746 1 139 . 1 1 32 32 LEU H H 1 7.945 0.003 . . . . . A 32 LEU H . 19746 1 140 . 1 1 32 32 LEU HA H 1 4.431 0.013 . . . . . A 32 LEU HA . 19746 1 141 . 1 1 32 32 LEU HB2 H 1 1.604 0.002 . . . . . A 32 LEU HB2 . 19746 1 142 . 1 1 32 32 LEU HB3 H 1 1.496 0.005 . . . . . A 32 LEU HB3 . 19746 1 143 . 1 1 32 32 LEU HG H 1 1.666 0.004 . . . . . A 32 LEU HG . 19746 1 144 . 1 1 32 32 LEU HD11 H 1 0.866 0.001 . . . . . A 32 LEU HD11 . 19746 1 145 . 1 1 32 32 LEU HD12 H 1 0.866 0.001 . . . . . A 32 LEU HD12 . 19746 1 146 . 1 1 32 32 LEU HD13 H 1 0.866 0.001 . . . . . A 32 LEU HD13 . 19746 1 147 . 1 1 32 32 LEU HD21 H 1 0.822 0.001 . . . . . A 32 LEU HD21 . 19746 1 148 . 1 1 32 32 LEU HD22 H 1 0.822 0.001 . . . . . A 32 LEU HD22 . 19746 1 149 . 1 1 32 32 LEU HD23 H 1 0.822 0.001 . . . . . A 32 LEU HD23 . 19746 1 150 . 1 1 33 33 ILE H H 1 8.204 0.007 . . . . . A 33 ILE H . 19746 1 151 . 1 1 33 33 ILE HA H 1 4.396 0.010 . . . . . A 33 ILE HA . 19746 1 152 . 1 1 33 33 ILE HB H 1 1.775 0.004 . . . . . A 33 ILE HB . 19746 1 153 . 1 1 33 33 ILE HG12 H 1 1.131 0.012 . . . . . A 33 ILE HG12 . 19746 1 154 . 1 1 33 33 ILE HG13 H 1 1.131 0.012 . . . . . A 33 ILE HG13 . 19746 1 155 . 1 1 33 33 ILE HG21 H 1 0.813 0.002 . . . . . A 33 ILE HG21 . 19746 1 156 . 1 1 33 33 ILE HG22 H 1 0.813 0.002 . . . . . A 33 ILE HG22 . 19746 1 157 . 1 1 33 33 ILE HG23 H 1 0.813 0.002 . . . . . A 33 ILE HG23 . 19746 1 158 . 1 1 33 33 ILE HD11 H 1 0.661 0.002 . . . . . A 33 ILE HD11 . 19746 1 159 . 1 1 33 33 ILE HD12 H 1 0.661 0.002 . . . . . A 33 ILE HD12 . 19746 1 160 . 1 1 33 33 ILE HD13 H 1 0.661 0.002 . . . . . A 33 ILE HD13 . 19746 1 161 . 1 1 34 34 LEU H H 1 9.084 0.002 . . . . . A 34 LEU H . 19746 1 162 . 1 1 34 34 LEU HA H 1 4.750 0.012 . . . . . A 34 LEU HA . 19746 1 163 . 1 1 34 34 LEU HB2 H 1 1.893 0.009 . . . . . A 34 LEU HB2 . 19746 1 164 . 1 1 34 34 LEU HB3 H 1 1.854 0.009 . . . . . A 34 LEU HB3 . 19746 1 165 . 1 1 34 34 LEU HG H 1 1.701 0.012 . . . . . A 34 LEU HG . 19746 1 166 . 1 1 34 34 LEU HD11 H 1 0.936 0.004 . . . . . A 34 LEU HD11 . 19746 1 167 . 1 1 34 34 LEU HD12 H 1 0.936 0.004 . . . . . A 34 LEU HD12 . 19746 1 168 . 1 1 34 34 LEU HD13 H 1 0.936 0.004 . . . . . A 34 LEU HD13 . 19746 1 169 . 1 1 34 34 LEU HD21 H 1 0.936 0.004 . . . . . A 34 LEU HD21 . 19746 1 170 . 1 1 34 34 LEU HD22 H 1 0.936 0.004 . . . . . A 34 LEU HD22 . 19746 1 171 . 1 1 34 34 LEU HD23 H 1 0.936 0.004 . . . . . A 34 LEU HD23 . 19746 1 172 . 1 1 35 35 GLN H H 1 8.010 0.004 . . . . . A 35 GLN H . 19746 1 173 . 1 1 35 35 GLN HA H 1 4.524 0.015 . . . . . A 35 GLN HA . 19746 1 174 . 1 1 35 35 GLN HB2 H 1 1.879 0.005 . . . . . A 35 GLN HB2 . 19746 1 175 . 1 1 35 35 GLN HB3 H 1 1.659 0.005 . . . . . A 35 GLN HB3 . 19746 1 176 . 1 1 35 35 GLN HG2 H 1 2.180 0.004 . . . . . A 35 GLN HG2 . 19746 1 177 . 1 1 35 35 GLN HG3 H 1 2.180 0.004 . . . . . A 35 GLN HG3 . 19746 1 178 . 1 1 36 36 GLY H H 1 6.153 0.001 . . . . . A 36 GLY H . 19746 1 179 . 1 1 36 36 GLY HA2 H 1 3.991 0.005 . . . . . A 36 GLY HA2 . 19746 1 180 . 1 1 36 36 GLY HA3 H 1 3.991 0.005 . . . . . A 36 GLY HA3 . 19746 1 181 . 1 1 37 37 CYS H H 1 8.431 0.004 . . . . . A 37 CYS H . 19746 1 182 . 1 1 37 37 CYS HA H 1 5.810 0.002 . . . . . A 37 CYS HA . 19746 1 183 . 1 1 37 37 CYS HB2 H 1 3.431 0.003 . . . . . A 37 CYS HB2 . 19746 1 184 . 1 1 37 37 CYS HB3 H 1 2.811 0.002 . . . . . A 37 CYS HB3 . 19746 1 185 . 1 1 38 38 SER H H 1 9.681 0.005 . . . . . A 38 SER H . 19746 1 186 . 1 1 38 38 SER HA H 1 4.932 0.012 . . . . . A 38 SER HA . 19746 1 187 . 1 1 38 38 SER HB2 H 1 4.101 0.007 . . . . . A 38 SER HB2 . 19746 1 188 . 1 1 38 38 SER HB3 H 1 3.740 0.001 . . . . . A 38 SER HB3 . 19746 1 189 . 1 1 39 39 SER H H 1 9.087 0.001 . . . . . A 39 SER H . 19746 1 190 . 1 1 39 39 SER HA H 1 4.673 0.012 . . . . . A 39 SER HA . 19746 1 191 . 1 1 39 39 SER HB2 H 1 4.107 0.000 . . . . . A 39 SER HB2 . 19746 1 192 . 1 1 39 39 SER HB3 H 1 3.974 0.010 . . . . . A 39 SER HB3 . 19746 1 193 . 1 1 41 41 CYS H H 1 7.898 0.007 . . . . . A 41 CYS H . 19746 1 194 . 1 1 41 41 CYS HA H 1 4.265 0.000 . . . . . A 41 CYS HA . 19746 1 195 . 1 1 41 41 CYS HB2 H 1 2.110 0.012 . . . . . A 41 CYS HB2 . 19746 1 196 . 1 1 41 41 CYS HB3 H 1 1.758 0.008 . . . . . A 41 CYS HB3 . 19746 1 197 . 1 1 42 42 SER H H 1 8.385 0.010 . . . . . A 42 SER H . 19746 1 198 . 1 1 42 42 SER HA H 1 4.580 0.014 . . . . . A 42 SER HA . 19746 1 199 . 1 1 42 42 SER HB2 H 1 3.681 0.002 . . . . . A 42 SER HB2 . 19746 1 200 . 1 1 42 42 SER HB3 H 1 3.546 0.003 . . . . . A 42 SER HB3 . 19746 1 201 . 1 1 43 43 GLU H H 1 8.790 0.004 . . . . . A 43 GLU H . 19746 1 202 . 1 1 43 43 GLU HA H 1 4.615 0.015 . . . . . A 43 GLU HA . 19746 1 203 . 1 1 43 43 GLU HB2 H 1 2.026 0.005 . . . . . A 43 GLU HB2 . 19746 1 204 . 1 1 43 43 GLU HB3 H 1 1.986 0.003 . . . . . A 43 GLU HB3 . 19746 1 205 . 1 1 43 43 GLU HG2 H 1 2.429 0.002 . . . . . A 43 GLU HG2 . 19746 1 206 . 1 1 43 43 GLU HG3 H 1 2.175 0.001 . . . . . A 43 GLU HG3 . 19746 1 207 . 1 1 44 44 THR H H 1 8.954 0.003 . . . . . A 44 THR H . 19746 1 208 . 1 1 44 44 THR HA H 1 4.721 0.015 . . . . . A 44 THR HA . 19746 1 209 . 1 1 44 44 THR HB H 1 4.559 0.000 . . . . . A 44 THR HB . 19746 1 210 . 1 1 44 44 THR HG21 H 1 1.146 0.001 . . . . . A 44 THR HG21 . 19746 1 211 . 1 1 44 44 THR HG22 H 1 1.146 0.001 . . . . . A 44 THR HG22 . 19746 1 212 . 1 1 44 44 THR HG23 H 1 1.146 0.001 . . . . . A 44 THR HG23 . 19746 1 213 . 1 1 45 45 GLU H H 1 8.903 0.004 . . . . . A 45 GLU H . 19746 1 214 . 1 1 45 45 GLU HA H 1 4.056 0.005 . . . . . A 45 GLU HA . 19746 1 215 . 1 1 45 45 GLU HB2 H 1 2.009 0.005 . . . . . A 45 GLU HB2 . 19746 1 216 . 1 1 45 45 GLU HB3 H 1 2.009 0.005 . . . . . A 45 GLU HB3 . 19746 1 217 . 1 1 45 45 GLU HG2 H 1 2.268 0.001 . . . . . A 45 GLU HG2 . 19746 1 218 . 1 1 45 45 GLU HG3 H 1 2.268 0.001 . . . . . A 45 GLU HG3 . 19746 1 219 . 1 1 46 46 ASN H H 1 7.957 0.003 . . . . . A 46 ASN H . 19746 1 220 . 1 1 46 46 ASN HA H 1 4.847 0.014 . . . . . A 46 ASN HA . 19746 1 221 . 1 1 46 46 ASN HB2 H 1 2.967 0.002 . . . . . A 46 ASN HB2 . 19746 1 222 . 1 1 46 46 ASN HB3 H 1 2.687 0.004 . . . . . A 46 ASN HB3 . 19746 1 223 . 1 1 47 47 ASN H H 1 7.729 0.002 . . . . . A 47 ASN H . 19746 1 224 . 1 1 47 47 ASN HA H 1 5.360 0.010 . . . . . A 47 ASN HA . 19746 1 225 . 1 1 47 47 ASN HB2 H 1 2.977 0.003 . . . . . A 47 ASN HB2 . 19746 1 226 . 1 1 47 47 ASN HB3 H 1 2.360 0.004 . . . . . A 47 ASN HB3 . 19746 1 227 . 1 1 48 48 LYS H H 1 8.600 0.005 . . . . . A 48 LYS H . 19746 1 228 . 1 1 48 48 LYS HA H 1 4.782 0.017 . . . . . A 48 LYS HA . 19746 1 229 . 1 1 48 48 LYS HB2 H 1 1.851 0.002 . . . . . A 48 LYS HB2 . 19746 1 230 . 1 1 48 48 LYS HB3 H 1 1.733 0.002 . . . . . A 48 LYS HB3 . 19746 1 231 . 1 1 48 48 LYS HG2 H 1 1.472 0.016 . . . . . A 48 LYS HG2 . 19746 1 232 . 1 1 48 48 LYS HG3 H 1 1.364 0.005 . . . . . A 48 LYS HG3 . 19746 1 233 . 1 1 48 48 LYS HD2 H 1 1.664 0.002 . . . . . A 48 LYS HD2 . 19746 1 234 . 1 1 48 48 LYS HD3 H 1 1.609 0.001 . . . . . A 48 LYS HD3 . 19746 1 235 . 1 1 48 48 LYS HE2 H 1 2.927 0.000 . . . . . A 48 LYS HE2 . 19746 1 236 . 1 1 48 48 LYS HE3 H 1 2.871 0.000 . . . . . A 48 LYS HE3 . 19746 1 237 . 1 1 49 49 CYS H H 1 9.048 0.004 . . . . . A 49 CYS H . 19746 1 238 . 1 1 49 49 CYS HA H 1 5.517 0.002 . . . . . A 49 CYS HA . 19746 1 239 . 1 1 49 49 CYS HB2 H 1 2.838 0.003 . . . . . A 49 CYS HB2 . 19746 1 240 . 1 1 49 49 CYS HB3 H 1 2.838 0.003 . . . . . A 49 CYS HB3 . 19746 1 241 . 1 1 50 50 CYS H H 1 9.342 0.002 . . . . . A 50 CYS H . 19746 1 242 . 1 1 50 50 CYS HA H 1 5.216 0.008 . . . . . A 50 CYS HA . 19746 1 243 . 1 1 50 50 CYS HB2 H 1 3.722 0.004 . . . . . A 50 CYS HB2 . 19746 1 244 . 1 1 50 50 CYS HB3 H 1 3.631 0.003 . . . . . A 50 CYS HB3 . 19746 1 245 . 1 1 51 51 SER H H 1 9.182 0.004 . . . . . A 51 SER H . 19746 1 246 . 1 1 51 51 SER HA H 1 4.948 0.012 . . . . . A 51 SER HA . 19746 1 247 . 1 1 51 51 SER HB2 H 1 3.932 0.002 . . . . . A 51 SER HB2 . 19746 1 248 . 1 1 51 51 SER HB3 H 1 3.872 0.001 . . . . . A 51 SER HB3 . 19746 1 249 . 1 1 52 52 THR H H 1 7.570 0.004 . . . . . A 52 THR H . 19746 1 250 . 1 1 52 52 THR HA H 1 4.639 0.009 . . . . . A 52 THR HA . 19746 1 251 . 1 1 52 52 THR HB H 1 4.247 0.009 . . . . . A 52 THR HB . 19746 1 252 . 1 1 52 52 THR HG21 H 1 1.167 0.001 . . . . . A 52 THR HG21 . 19746 1 253 . 1 1 52 52 THR HG22 H 1 1.167 0.001 . . . . . A 52 THR HG22 . 19746 1 254 . 1 1 52 52 THR HG23 H 1 1.167 0.001 . . . . . A 52 THR HG23 . 19746 1 255 . 1 1 53 53 ASP H H 1 7.844 0.012 . . . . . A 53 ASP H . 19746 1 256 . 1 1 53 53 ASP HA H 1 4.608 0.012 . . . . . A 53 ASP HA . 19746 1 257 . 1 1 53 53 ASP HB2 H 1 3.684 0.002 . . . . . A 53 ASP HB2 . 19746 1 258 . 1 1 53 53 ASP HB3 H 1 3.684 0.002 . . . . . A 53 ASP HB3 . 19746 1 259 . 1 1 54 54 ARG H H 1 8.146 0.003 . . . . . A 54 ARG H . 19746 1 260 . 1 1 54 54 ARG HA H 1 4.182 0.000 . . . . . A 54 ARG HA . 19746 1 261 . 1 1 55 55 CYS H H 1 7.899 0.002 . . . . . A 55 CYS H . 19746 1 262 . 1 1 55 55 CYS HA H 1 4.526 0.011 . . . . . A 55 CYS HA . 19746 1 263 . 1 1 55 55 CYS HB2 H 1 3.800 0.001 . . . . . A 55 CYS HB2 . 19746 1 264 . 1 1 55 55 CYS HB3 H 1 3.383 0.002 . . . . . A 55 CYS HB3 . 19746 1 265 . 1 1 56 56 ASN H H 1 8.751 0.009 . . . . . A 56 ASN H . 19746 1 266 . 1 1 56 56 ASN HA H 1 4.687 0.000 . . . . . A 56 ASN HA . 19746 1 267 . 1 1 56 56 ASN HB2 H 1 2.810 0.009 . . . . . A 56 ASN HB2 . 19746 1 268 . 1 1 56 56 ASN HB3 H 1 2.284 0.011 . . . . . A 56 ASN HB3 . 19746 1 stop_ save_