################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36321 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 COSY' 1 $sample_1 isotropic 36321 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36321 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36321 1 4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36321 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ASN HA H 1 4.397 0.009 . 1 . . 245 . A 1 ASN HA . 36321 1 2 . 1 . 1 1 1 ASN HB2 H 1 3.014 0.005 . 2 . . 244 . A 1 ASN HB2 . 36321 1 3 . 1 . 1 1 1 ASN HB3 H 1 2.947 0.011 . 2 . . 246 . A 1 ASN HB3 . 36321 1 4 . 1 . 1 1 1 ASN HD21 H 1 7.702 0.001 . 1 . . 247 . A 1 ASN HD21 . 36321 1 5 . 1 . 1 1 1 ASN HD22 H 1 7.041 0.001 . 1 . . 248 . A 1 ASN HD22 . 36321 1 6 . 1 . 1 2 2 GLY H H 1 8.665 0.002 . 1 . . 53 . A 2 GLY H . 36321 1 7 . 1 . 1 2 2 GLY HA2 H 1 4.007 0.010 . 2 . . 54 . A 2 GLY HA2 . 36321 1 8 . 1 . 1 2 2 GLY HA3 H 1 4.008 0.011 . 2 . . 55 . A 2 GLY HA3 . 36321 1 9 . 1 . 1 3 3 ALA H H 1 8.256 0.018 . 1 . . 44 . A 3 ALA H . 36321 1 10 . 1 . 1 3 3 ALA HA H 1 4.328 0.009 . 1 . . 45 . A 3 ALA HA . 36321 1 11 . 1 . 1 3 3 ALA HB1 H 1 1.351 0.001 . 1 . . 46 . A 3 ALA HB1 . 36321 1 12 . 1 . 1 3 3 ALA HB2 H 1 1.351 0.001 . 1 . . 46 . A 3 ALA HB2 . 36321 1 13 . 1 . 1 3 3 ALA HB3 H 1 1.351 0.001 . 1 . . 46 . A 3 ALA HB3 . 36321 1 14 . 1 . 1 4 4 ILE H H 1 8.136 0.005 . 1 . . 56 . A 4 ILE H . 36321 1 15 . 1 . 1 4 4 ILE HA H 1 4.052 0.014 . 1 . . 57 . A 4 ILE HA . 36321 1 16 . 1 . 1 4 4 ILE HB H 1 1.714 0.004 . 1 . . 58 . A 4 ILE HB . 36321 1 17 . 1 . 1 4 4 ILE HG12 H 1 1.412 0.005 . 2 . . 59 . A 4 ILE HG12 . 36321 1 18 . 1 . 1 4 4 ILE HG13 H 1 1.106 0.005 . 2 . . 60 . A 4 ILE HG13 . 36321 1 19 . 1 . 1 4 4 ILE HG21 H 1 0.620 0.003 . 1 . . 61 . A 4 ILE HG21 . 36321 1 20 . 1 . 1 4 4 ILE HG22 H 1 0.620 0.003 . 1 . . 61 . A 4 ILE HG22 . 36321 1 21 . 1 . 1 4 4 ILE HG23 H 1 0.620 0.003 . 1 . . 61 . A 4 ILE HG23 . 36321 1 22 . 1 . 1 4 4 ILE HD11 H 1 0.802 0.007 . 1 . . 62 . A 4 ILE HD11 . 36321 1 23 . 1 . 1 4 4 ILE HD12 H 1 0.802 0.007 . 1 . . 62 . A 4 ILE HD12 . 36321 1 24 . 1 . 1 4 4 ILE HD13 H 1 0.802 0.007 . 1 . . 62 . A 4 ILE HD13 . 36321 1 25 . 1 . 1 5 5 CYS H H 1 8.286 0.007 . 1 . . 41 . A 5 CYS H . 36321 1 26 . 1 . 1 5 5 CYS HA H 1 4.501 0.003 . 1 . . 42 . A 5 CYS HA . 36321 1 27 . 1 . 1 5 5 CYS HB2 H 1 2.825 0.006 . 1 . . 43 . A 5 CYS HB2 . 36321 1 28 . 1 . 1 5 5 CYS HB3 H 1 2.825 0.006 . 1 . . 241 . A 5 CYS HB3 . 36321 1 29 . 1 . 1 6 6 TRP H H 1 8.288 0.005 . 1 . . 37 . A 6 TRP H . 36321 1 30 . 1 . 1 6 6 TRP HA H 1 4.732 0.008 . 1 . . 38 . A 6 TRP HA . 36321 1 31 . 1 . 1 6 6 TRP HB2 H 1 3.213 0.004 . 2 . . 39 . A 6 TRP HB2 . 36321 1 32 . 1 . 1 6 6 TRP HB3 H 1 3.344 0.005 . 2 . . 40 . A 6 TRP HB3 . 36321 1 33 . 1 . 1 6 6 TRP HD1 H 1 7.264 0.003 . 1 . . 165 . A 6 TRP HD1 . 36321 1 34 . 1 . 1 6 6 TRP HE1 H 1 10.106 0.001 . 1 . . 164 . A 6 TRP HE1 . 36321 1 35 . 1 . 1 6 6 TRP HE3 H 1 7.633 0.002 . 1 . . 167 . A 6 TRP HE3 . 36321 1 36 . 1 . 1 6 6 TRP HZ2 H 1 7.486 0.003 . 1 . . 169 . A 6 TRP HZ2 . 36321 1 37 . 1 . 1 6 6 TRP HZ3 H 1 7.155 0.002 . 1 . . 168 . A 6 TRP HZ3 . 36321 1 38 . 1 . 1 6 6 TRP HH2 H 1 7.234 0.004 . 1 . . 170 . A 6 TRP HH2 . 36321 1 39 . 1 . 1 7 7 GLY H H 1 8.053 0.003 . 1 . . 63 . A 7 GLY H . 36321 1 40 . 1 . 1 7 7 GLY HA2 H 1 4.011 0.005 . 1 . . 64 . A 7 GLY HA2 . 36321 1 41 . 1 . 1 7 7 GLY HA3 H 1 4.011 0.005 . 1 . . 65 . A 7 GLY HA3 . 36321 1 42 . 1 . 1 8 8 PRO HA H 1 4.411 0.005 . 1 . . 77 . A 8 PRO HA . 36321 1 43 . 1 . 1 8 8 PRO HB2 H 1 2.249 0.005 . 2 . . 75 . A 8 PRO HB2 . 36321 1 44 . 1 . 1 8 8 PRO HB3 H 1 1.928 0.004 . 2 . . 76 . A 8 PRO HB3 . 36321 1 45 . 1 . 1 8 8 PRO HG2 H 1 2.002 0.003 . 2 . . 72 . A 8 PRO HG2 . 36321 1 46 . 1 . 1 8 8 PRO HG3 H 1 2.003 0.006 . 2 . . 74 . A 8 PRO HG3 . 36321 1 47 . 1 . 1 8 8 PRO HD2 H 1 3.530 0.005 . 2 . . 71 . A 8 PRO HD2 . 36321 1 48 . 1 . 1 8 8 PRO HD3 H 1 3.573 0.003 . 2 . . 73 . A 8 PRO HD3 . 36321 1 49 . 1 . 1 9 9 CYS H H 1 8.470 0.010 . 1 . . 78 . A 9 CYS H . 36321 1 50 . 1 . 1 9 9 CYS HA H 1 4.778 0.004 . 1 . . 79 . A 9 CYS HA . 36321 1 51 . 1 . 1 9 9 CYS HB2 H 1 2.913 0.004 . 2 . . 80 . A 9 CYS HB2 . 36321 1 52 . 1 . 1 9 9 CYS HB3 H 1 2.913 0.004 . 2 . . 81 . A 9 CYS HB3 . 36321 1 53 . 1 . 1 10 10 PRO HA H 1 4.483 0.008 . 1 . . 88 . A 10 PRO HA . 36321 1 54 . 1 . 1 10 10 PRO HB2 H 1 2.326 0.004 . 2 . . 86 . A 10 PRO HB2 . 36321 1 55 . 1 . 1 10 10 PRO HB3 H 1 1.951 0.005 . 2 . . 87 . A 10 PRO HB3 . 36321 1 56 . 1 . 1 10 10 PRO HG2 H 1 2.030 0.004 . 1 . . 83 . A 10 PRO HG2 . 36321 1 57 . 1 . 1 10 10 PRO HG3 H 1 2.030 0.004 . 1 . . 84 . A 10 PRO HG3 . 36321 1 58 . 1 . 1 10 10 PRO HD2 H 1 3.822 0.003 . 2 . . 82 . A 10 PRO HD2 . 36321 1 59 . 1 . 1 10 10 PRO HD3 H 1 3.775 0.005 . 2 . . 85 . A 10 PRO HD3 . 36321 1 60 . 1 . 1 11 11 THR H H 1 8.065 0.006 . 1 . . 89 . A 11 THR H . 36321 1 61 . 1 . 1 11 11 THR HA H 1 4.234 0.013 . 1 . . 90 . A 11 THR HA . 36321 1 62 . 1 . 1 11 11 THR HB H 1 4.205 0.012 . 1 . . 92 . A 11 THR HB . 36321 1 63 . 1 . 1 11 11 THR HG21 H 1 1.194 0.002 . 1 . . 91 . A 11 THR HG21 . 36321 1 64 . 1 . 1 11 11 THR HG22 H 1 1.194 0.002 . 1 . . 91 . A 11 THR HG22 . 36321 1 65 . 1 . 1 11 11 THR HG23 H 1 1.194 0.002 . 1 . . 91 . A 11 THR HG23 . 36321 1 66 . 1 . 1 12 12 ALA H H 1 8.133 0.002 . 1 . . 66 . A 12 ALA H . 36321 1 67 . 1 . 1 12 12 ALA HA H 1 4.270 0.004 . 1 . . 68 . A 12 ALA HA . 36321 1 68 . 1 . 1 12 12 ALA HB1 H 1 1.307 0.003 . 1 . . 67 . A 12 ALA HB1 . 36321 1 69 . 1 . 1 12 12 ALA HB2 H 1 1.307 0.003 . 1 . . 67 . A 12 ALA HB2 . 36321 1 70 . 1 . 1 12 12 ALA HB3 H 1 1.307 0.003 . 1 . . 67 . A 12 ALA HB3 . 36321 1 71 . 1 . 1 13 13 PHE H H 1 8.074 0.007 . 1 . . 49 . A 13 PHE H . 36321 1 72 . 1 . 1 13 13 PHE HA H 1 4.576 0.004 . 1 . . 50 . A 13 PHE HA . 36321 1 73 . 1 . 1 13 13 PHE HB2 H 1 3.033 0.009 . 2 . . 51 . A 13 PHE HB2 . 36321 1 74 . 1 . 1 13 13 PHE HB3 H 1 3.111 0.008 . 2 . . 52 . A 13 PHE HB3 . 36321 1 75 . 1 . 1 13 13 PHE HD1 H 1 7.231 0.003 . 1 . . 172 . A 13 PHE HD1 . 36321 1 76 . 1 . 1 13 13 PHE HD2 H 1 7.231 0.003 . 1 . . 172 . A 13 PHE HD2 . 36321 1 77 . 1 . 1 13 13 PHE HE1 H 1 7.344 0.004 . 1 . . 171 . A 13 PHE HE1 . 36321 1 78 . 1 . 1 13 13 PHE HE2 H 1 7.344 0.004 . 1 . . 171 . A 13 PHE HE2 . 36321 1 79 . 1 . 1 13 13 PHE HZ H 1 7.332 0.021 . 1 . . 242 . A 13 PHE HZ . 36321 1 80 . 1 . 1 14 14 ARG H H 1 8.057 0.008 . 1 . . 69 . A 14 ARG H . 36321 1 81 . 1 . 1 14 14 ARG HA H 1 4.256 0.010 . 1 . . 70 . A 14 ARG HA . 36321 1 82 . 1 . 1 14 14 ARG HB2 H 1 1.690 0.007 . 2 . . 96 . A 14 ARG HB2 . 36321 1 83 . 1 . 1 14 14 ARG HB3 H 1 1.769 0.006 . 2 . . 116 . A 14 ARG HB3 . 36321 1 84 . 1 . 1 14 14 ARG HG2 H 1 1.531 0.016 . 2 . . 97 . A 14 ARG HG2 . 36321 1 85 . 1 . 1 14 14 ARG HG3 H 1 1.546 0.008 . 2 . . 118 . A 14 ARG HG3 . 36321 1 86 . 1 . 1 14 14 ARG HD2 H 1 3.151 0.010 . 2 . . 93 . A 14 ARG HD2 . 36321 1 87 . 1 . 1 14 14 ARG HD3 H 1 3.151 0.010 . 2 . . 94 . A 14 ARG HD3 . 36321 1 88 . 1 . 1 14 14 ARG HE H 1 7.152 0.012 . 1 . . 95 . A 14 ARG HE . 36321 1 89 . 1 . 1 15 15 GLN H H 1 8.301 0.005 . 1 . . 32 . A 15 GLN H . 36321 1 90 . 1 . 1 15 15 GLN HA H 1 4.331 0.003 . 1 . . 33 . A 15 GLN HA . 36321 1 91 . 1 . 1 15 15 GLN HB2 H 1 2.084 0.005 . 2 . . 35 . A 15 GLN HB2 . 36321 1 92 . 1 . 1 15 15 GLN HB3 H 1 1.969 0.003 . 2 . . 36 . A 15 GLN HB3 . 36321 1 93 . 1 . 1 15 15 GLN HG2 H 1 2.336 0.003 . 2 . . 34 . A 15 GLN HG2 . 36321 1 94 . 1 . 1 15 15 GLN HG3 H 1 2.336 0.003 . 2 . . 98 . A 15 GLN HG3 . 36321 1 95 . 1 . 1 15 15 GLN HE21 H 1 7.508 0.001 . 1 . . 249 . A 15 GLN HE21 . 36321 1 96 . 1 . 1 15 15 GLN HE22 H 1 6.862 0.000 . 1 . . 250 . A 15 GLN HE22 . 36321 1 97 . 1 . 1 16 16 ILE H H 1 8.212 0.004 . 1 . . 47 . A 16 ILE H . 36321 1 98 . 1 . 1 16 16 ILE HA H 1 4.192 0.007 . 1 . . 48 . A 16 ILE HA . 36321 1 99 . 1 . 1 16 16 ILE HB H 1 1.873 0.011 . 1 . . 99 . A 16 ILE HB . 36321 1 100 . 1 . 1 16 16 ILE HG12 H 1 1.474 0.008 . 2 . . 100 . A 16 ILE HG12 . 36321 1 101 . 1 . 1 16 16 ILE HG13 H 1 1.187 0.010 . 2 . . 101 . A 16 ILE HG13 . 36321 1 102 . 1 . 1 16 16 ILE HG21 H 1 0.916 0.003 . 1 . . 102 . A 16 ILE HG21 . 36321 1 103 . 1 . 1 16 16 ILE HG22 H 1 0.916 0.003 . 1 . . 102 . A 16 ILE HG22 . 36321 1 104 . 1 . 1 16 16 ILE HG23 H 1 0.916 0.003 . 1 . . 102 . A 16 ILE HG23 . 36321 1 105 . 1 . 1 16 16 ILE HD11 H 1 0.858 0.008 . 1 . . 103 . A 16 ILE HD11 . 36321 1 106 . 1 . 1 16 16 ILE HD12 H 1 0.858 0.008 . 1 . . 103 . A 16 ILE HD12 . 36321 1 107 . 1 . 1 16 16 ILE HD13 H 1 0.858 0.008 . 1 . . 103 . A 16 ILE HD13 . 36321 1 108 . 1 . 1 17 17 GLY H H 1 8.458 0.006 . 1 . . 5 . A 17 GLY H . 36321 1 109 . 1 . 1 17 17 GLY HA2 H 1 3.957 0.013 . 2 . . 6 . A 17 GLY HA2 . 36321 1 110 . 1 . 1 17 17 GLY HA3 H 1 3.957 0.013 . 2 . . 104 . A 17 GLY HA3 . 36321 1 111 . 1 . 1 18 18 ASN H H 1 8.418 0.004 . 1 . . 105 . A 18 ASN H . 36321 1 112 . 1 . 1 18 18 ASN HA H 1 4.756 0.010 . 1 . . 106 . A 18 ASN HA . 36321 1 113 . 1 . 1 18 18 ASN HB2 H 1 2.788 0.004 . 2 . . 107 . A 18 ASN HB2 . 36321 1 114 . 1 . 1 18 18 ASN HB3 H 1 2.866 0.012 . 2 . . 108 . A 18 ASN HB3 . 36321 1 115 . 1 . 1 18 18 ASN HD21 H 1 7.607 0.013 . 1 . . 109 . A 18 ASN HD21 . 36321 1 116 . 1 . 1 18 18 ASN HD22 H 1 6.918 0.000 . 1 . . 110 . A 18 ASN HD22 . 36321 1 117 . 1 . 1 19 19 CYS H H 1 8.444 0.009 . 1 . . 18 . A 19 CYS H . 36321 1 118 . 1 . 1 19 19 CYS HA H 1 4.506 0.004 . 1 . . 19 . A 19 CYS HA . 36321 1 119 . 1 . 1 19 19 CYS HB2 H 1 2.983 0.005 . 1 . . 111 . A 19 CYS HB2 . 36321 1 120 . 1 . 1 19 19 CYS HB3 H 1 2.983 0.005 . 1 . . 112 . A 19 CYS HB3 . 36321 1 121 . 1 . 1 20 20 GLY H H 1 8.489 0.001 . 1 . . 3 . A 20 GLY H . 36321 1 122 . 1 . 1 20 20 GLY HA2 H 1 3.936 0.008 . 2 . . 4 . A 20 GLY HA2 . 36321 1 123 . 1 . 1 20 20 GLY HA3 H 1 3.936 0.009 . 2 . . 113 . A 20 GLY HA3 . 36321 1 124 . 1 . 1 21 21 ARG H H 1 8.056 0.011 . 1 . . 114 . A 21 ARG H . 36321 1 125 . 1 . 1 21 21 ARG HA H 1 4.225 0.011 . 1 . . 115 . A 21 ARG HA . 36321 1 126 . 1 . 1 21 21 ARG HB2 H 1 1.632 0.014 . 2 . . 120 . A 21 ARG HB2 . 36321 1 127 . 1 . 1 21 21 ARG HB3 H 1 1.633 0.012 . 2 . . 121 . A 21 ARG HB3 . 36321 1 128 . 1 . 1 21 21 ARG HG2 H 1 1.410 0.003 . 2 . . 117 . A 21 ARG HG2 . 36321 1 129 . 1 . 1 21 21 ARG HG3 H 1 1.410 0.003 . 2 . . 119 . A 21 ARG HG3 . 36321 1 130 . 1 . 1 21 21 ARG HD2 H 1 3.091 0.004 . 2 . . 122 . A 21 ARG HD2 . 36321 1 131 . 1 . 1 21 21 ARG HD3 H 1 3.091 0.004 . 2 . . 123 . A 21 ARG HD3 . 36321 1 132 . 1 . 1 21 21 ARG HE H 1 7.098 0.004 . 1 . . 124 . A 21 ARG HE . 36321 1 133 . 1 . 1 22 22 PHE H H 1 8.130 0.003 . 1 . . 125 . A 22 PHE H . 36321 1 134 . 1 . 1 22 22 PHE HA H 1 4.660 0.009 . 1 . . 126 . A 22 PHE HA . 36321 1 135 . 1 . 1 22 22 PHE HB2 H 1 3.007 0.006 . 2 . . 127 . A 22 PHE HB2 . 36321 1 136 . 1 . 1 22 22 PHE HB3 H 1 3.169 0.009 . 2 . . 128 . A 22 PHE HB3 . 36321 1 137 . 1 . 1 22 22 PHE HD1 H 1 7.245 0.006 . 1 . . 174 . A 22 PHE HD1 . 36321 1 138 . 1 . 1 22 22 PHE HD2 H 1 7.245 0.006 . 1 . . 174 . A 22 PHE HD2 . 36321 1 139 . 1 . 1 22 22 PHE HE1 H 1 7.338 0.014 . 1 . . 173 . A 22 PHE HE1 . 36321 1 140 . 1 . 1 22 22 PHE HE2 H 1 7.338 0.014 . 1 . . 173 . A 22 PHE HE2 . 36321 1 141 . 1 . 1 22 22 PHE HZ H 1 7.324 0.020 . 1 . . 243 . A 22 PHE HZ . 36321 1 142 . 1 . 1 23 23 ARG H H 1 8.133 0.004 . 1 . . 129 . A 23 ARG H . 36321 1 143 . 1 . 1 23 23 ARG HA H 1 4.335 0.004 . 1 . . 130 . A 23 ARG HA . 36321 1 144 . 1 . 1 23 23 ARG HB2 H 1 1.713 0.017 . 2 . . 131 . A 23 ARG HB2 . 36321 1 145 . 1 . 1 23 23 ARG HB3 H 1 1.777 0.014 . 2 . . 132 . A 23 ARG HB3 . 36321 1 146 . 1 . 1 23 23 ARG HG2 H 1 1.570 0.017 . 2 . . 133 . A 23 ARG HG2 . 36321 1 147 . 1 . 1 23 23 ARG HG3 H 1 1.570 0.017 . 2 . . 134 . A 23 ARG HG3 . 36321 1 148 . 1 . 1 23 23 ARG HD2 H 1 3.170 0.006 . 2 . . 136 . A 23 ARG HD2 . 36321 1 149 . 1 . 1 23 23 ARG HD3 H 1 3.170 0.006 . 2 . . 137 . A 23 ARG HD3 . 36321 1 150 . 1 . 1 23 23 ARG HE H 1 7.176 0.001 . 1 . . 135 . A 23 ARG HE . 36321 1 151 . 1 . 1 24 24 VAL H H 1 8.114 0.014 . 1 . . 138 . A 24 VAL H . 36321 1 152 . 1 . 1 24 24 VAL HA H 1 4.088 0.002 . 1 . . 139 . A 24 VAL HA . 36321 1 153 . 1 . 1 24 24 VAL HB H 1 2.064 0.004 . 1 . . 140 . A 24 VAL HB . 36321 1 154 . 1 . 1 24 24 VAL HG11 H 1 0.957 0.005 . 2 . . 141 . A 24 VAL HG11 . 36321 1 155 . 1 . 1 24 24 VAL HG12 H 1 0.957 0.005 . 2 . . 141 . A 24 VAL HG12 . 36321 1 156 . 1 . 1 24 24 VAL HG13 H 1 0.957 0.005 . 2 . . 141 . A 24 VAL HG13 . 36321 1 157 . 1 . 1 24 24 VAL HG21 H 1 0.957 0.005 . 2 . . 142 . A 24 VAL HG21 . 36321 1 158 . 1 . 1 24 24 VAL HG22 H 1 0.957 0.005 . 2 . . 142 . A 24 VAL HG22 . 36321 1 159 . 1 . 1 24 24 VAL HG23 H 1 0.957 0.005 . 2 . . 142 . A 24 VAL HG23 . 36321 1 160 . 1 . 1 25 25 ARG H H 1 8.478 0.008 . 1 . . 12 . A 25 ARG H . 36321 1 161 . 1 . 1 25 25 ARG HA H 1 4.350 0.018 . 1 . . 13 . A 25 ARG HA . 36321 1 162 . 1 . 1 25 25 ARG HB2 H 1 1.768 0.014 . 2 . . 15 . A 25 ARG HB2 . 36321 1 163 . 1 . 1 25 25 ARG HB3 H 1 1.846 0.005 . 2 . . 17 . A 25 ARG HB3 . 36321 1 164 . 1 . 1 25 25 ARG HG2 H 1 1.614 0.023 . 2 . . 16 . A 25 ARG HG2 . 36321 1 165 . 1 . 1 25 25 ARG HG3 H 1 1.660 0.025 . 2 . . 149 . A 25 ARG HG3 . 36321 1 166 . 1 . 1 25 25 ARG HD2 H 1 3.174 0.009 . 2 . . 14 . A 25 ARG HD2 . 36321 1 167 . 1 . 1 25 25 ARG HD3 H 1 3.175 0.009 . 2 . . 147 . A 25 ARG HD3 . 36321 1 168 . 1 . 1 25 25 ARG HE H 1 7.218 0.032 . 1 . . 148 . A 25 ARG HE . 36321 1 169 . 1 . 1 26 26 CYS H H 1 8.440 0.031 . 1 . . 143 . A 26 CYS H . 36321 1 170 . 1 . 1 26 26 CYS HA H 1 4.535 0.001 . 1 . . 144 . A 26 CYS HA . 36321 1 171 . 1 . 1 26 26 CYS HB2 H 1 2.919 0.004 . 2 . . 145 . A 26 CYS HB2 . 36321 1 172 . 1 . 1 26 26 CYS HB3 H 1 2.919 0.004 . 2 . . 146 . A 26 CYS HB3 . 36321 1 173 . 1 . 1 27 27 CYS H H 1 8.512 0.003 . 1 . . 9 . A 27 CYS H . 36321 1 174 . 1 . 1 27 27 CYS HA H 1 4.543 0.016 . 1 . . 10 . A 27 CYS HA . 36321 1 175 . 1 . 1 27 27 CYS HB2 H 1 2.920 0.004 . 2 . . 11 . A 27 CYS HB2 . 36321 1 176 . 1 . 1 27 27 CYS HB3 H 1 2.920 0.004 . 2 . . 163 . A 27 CYS HB3 . 36321 1 177 . 1 . 1 28 28 ARG H H 1 8.404 0.003 . 1 . . 20 . A 28 ARG H . 36321 1 178 . 1 . 1 28 28 ARG HA H 1 4.384 0.012 . 1 . . 21 . A 28 ARG HA . 36321 1 179 . 1 . 1 28 28 ARG HB2 H 1 1.766 0.013 . 2 . . 24 . A 28 ARG HB2 . 36321 1 180 . 1 . 1 28 28 ARG HB3 H 1 1.846 0.007 . 2 . . 25 . A 28 ARG HB3 . 36321 1 181 . 1 . 1 28 28 ARG HG2 H 1 1.635 0.021 . 2 . . 23 . A 28 ARG HG2 . 36321 1 182 . 1 . 1 28 28 ARG HG3 H 1 1.603 0.015 . 2 . . 150 . A 28 ARG HG3 . 36321 1 183 . 1 . 1 28 28 ARG HD2 H 1 3.184 0.012 . 2 . . 22 . A 28 ARG HD2 . 36321 1 184 . 1 . 1 28 28 ARG HD3 H 1 3.183 0.012 . 2 . . 152 . A 28 ARG HD3 . 36321 1 185 . 1 . 1 28 28 ARG HE H 1 7.253 0.014 . 1 . . 151 . A 28 ARG HE . 36321 1 186 . 1 . 1 29 29 ILE H H 1 8.279 0.002 . 1 . . 153 . A 29 ILE H . 36321 1 187 . 1 . 1 29 29 ILE HA H 1 4.174 0.010 . 1 . . 154 . A 29 ILE HA . 36321 1 188 . 1 . 1 29 29 ILE HB H 1 1.880 0.015 . 1 . . 155 . A 29 ILE HB . 36321 1 189 . 1 . 1 29 29 ILE HG12 H 1 1.481 0.006 . 2 . . 156 . A 29 ILE HG12 . 36321 1 190 . 1 . 1 29 29 ILE HG13 H 1 1.194 0.004 . 2 . . 157 . A 29 ILE HG13 . 36321 1 191 . 1 . 1 29 29 ILE HG21 H 1 0.923 0.008 . 1 . . 158 . A 29 ILE HG21 . 36321 1 192 . 1 . 1 29 29 ILE HG22 H 1 0.923 0.008 . 1 . . 158 . A 29 ILE HG22 . 36321 1 193 . 1 . 1 29 29 ILE HG23 H 1 0.923 0.008 . 1 . . 158 . A 29 ILE HG23 . 36321 1 194 . 1 . 1 29 29 ILE HD11 H 1 0.865 0.007 . 1 . . 159 . A 29 ILE HD11 . 36321 1 195 . 1 . 1 29 29 ILE HD12 H 1 0.865 0.007 . 1 . . 159 . A 29 ILE HD12 . 36321 1 196 . 1 . 1 29 29 ILE HD13 H 1 0.865 0.007 . 1 . . 159 . A 29 ILE HD13 . 36321 1 197 . 1 . 1 30 30 ARG H H 1 7.983 0.003 . 1 . . 26 . A 30 ARG H . 36321 1 198 . 1 . 1 30 30 ARG HA H 1 4.193 0.004 . 1 . . 27 . A 30 ARG HA . 36321 1 199 . 1 . 1 30 30 ARG HB2 H 1 1.749 0.012 . 2 . . 30 . A 30 ARG HB2 . 36321 1 200 . 1 . 1 30 30 ARG HB3 H 1 1.853 0.015 . 2 . . 31 . A 30 ARG HB3 . 36321 1 201 . 1 . 1 30 30 ARG HG2 H 1 1.595 0.006 . 2 . . 29 . A 30 ARG HG2 . 36321 1 202 . 1 . 1 30 30 ARG HG3 H 1 1.596 0.006 . 2 . . 161 . A 30 ARG HG3 . 36321 1 203 . 1 . 1 30 30 ARG HD2 H 1 3.186 0.012 . 2 . . 28 . A 30 ARG HD2 . 36321 1 204 . 1 . 1 30 30 ARG HD3 H 1 3.185 0.012 . 2 . . 160 . A 30 ARG HD3 . 36321 1 205 . 1 . 1 30 30 ARG HE H 1 7.208 0.028 . 1 . . 162 . A 30 ARG HE . 36321 1 stop_ save_