################################### # 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 16943 _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 0.006 _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 'approximate average of statistics from multiply defined shifts' _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 WCOSY' . . . 16943 1 2 '2D 1H-1H TOCSY 40ms mix' . . . 16943 1 3 '2D 1H-1H NOESY 60ms mix' . . . 16943 1 4 '2D 1H-1H TOCSY 80ms mix' . . . 16943 1 5 'D 1H-1H NOESY 120ms mix' . . . 16943 1 6 'D 1H-1H NOESY 200ms mix' . . . 16943 1 7 'D 1H-1H NOESY 300ms mix' . . . 16943 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $ccpn_analysis . . 16943 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 MET HA H 1 4.129 0.006 . 1 . . . . 1 M HA . 16943 1 2 . 1 1 1 1 MET HB2 H 1 2.158 0.006 . 1 . . . . 1 M HB1 . 16943 1 3 . 1 1 1 1 MET HB3 H 1 2.170 0.006 . 1 . . . . 1 M HB2 . 16943 1 4 . 1 1 1 1 MET HG2 H 1 2.578 0.006 . 1 . . . . 1 M HG1 . 16943 1 5 . 1 1 1 1 MET HG3 H 1 2.590 0.006 . 1 . . . . 1 M HG2 . 16943 1 6 . 1 1 2 2 ASN H H 1 8.750 0.006 . 1 . . . . 2 N HN . 16943 1 7 . 1 1 2 2 ASN HA H 1 4.796 0.006 . 1 . . . . 2 N HA . 16943 1 8 . 1 1 2 2 ASN HB2 H 1 2.799 0.006 . 1 . . . . 2 N HB1 . 16943 1 9 . 1 1 2 2 ASN HB3 H 1 2.865 0.006 . 1 . . . . 2 N HB2 . 16943 1 10 . 1 1 2 2 ASN HD21 H 1 7.526 0.006 . 1 . . . . 2 N HD21 . 16943 1 11 . 1 1 2 2 ASN HD22 H 1 6.773 0.006 . 1 . . . . 2 N HD22 . 16943 1 12 . 1 1 3 3 LYS H H 1 8.352 0.006 . 1 . . . . 3 K HN . 16943 1 13 . 1 1 3 3 LYS HA H 1 4.243 0.006 . 1 . . . . 3 K HA . 16943 1 14 . 1 1 3 3 LYS HB2 H 1 1.755 0.006 . 1 . . . . 3 K HB1 . 16943 1 15 . 1 1 3 3 LYS HB3 H 1 1.863 0.006 . 1 . . . . 3 K HB2 . 16943 1 16 . 1 1 3 3 LYS HD2 H 1 1.692 0.006 . 1 . . . . 3 K HD1 . 16943 1 17 . 1 1 3 3 LYS HD3 H 1 1.692 0.006 . 1 . . . . 3 K HD2 . 16943 1 18 . 1 1 3 3 LYS HE2 H 1 2.998 0.006 . 1 . . . . 3 K HE1 . 16943 1 19 . 1 1 3 3 LYS HE3 H 1 2.998 0.006 . 1 . . . . 3 K HE2 . 16943 1 20 . 1 1 3 3 LYS HG2 H 1 1.411 0.006 . 2 . . . . 3 K HG1 . 16943 1 21 . 1 1 3 3 LYS HG3 H 1 1.461 0.006 . 2 . . . . 3 K HG2 . 16943 1 22 . 1 1 4 4 LYS H H 1 8.139 0.006 . 1 . . . . 4 K HN . 16943 1 23 . 1 1 4 4 LYS HA H 1 4.262 0.006 . 1 . . . . 4 K HA . 16943 1 24 . 1 1 4 4 LYS HB2 H 1 1.752 0.006 . 1 . . . . 4 K HB1 . 16943 1 25 . 1 1 4 4 LYS HB3 H 1 1.802 0.006 . 1 . . . . 4 K HB2 . 16943 1 26 . 1 1 4 4 LYS HD2 H 1 1.674 0.006 . 1 . . . . 4 K HD1 . 16943 1 27 . 1 1 4 4 LYS HD3 H 1 1.680 0.006 . 1 . . . . 4 K HD2 . 16943 1 28 . 1 1 4 4 LYS HE2 H 1 2.982 0.006 . 1 . . . . 4 K HE1 . 16943 1 29 . 1 1 4 4 LYS HE3 H 1 2.985 0.006 . 1 . . . . 4 K HE2 . 16943 1 30 . 1 1 4 4 LYS HG2 H 1 1.395 0.006 . 1 . . . . 4 K HG1 . 16943 1 31 . 1 1 4 4 LYS HG3 H 1 1.439 0.006 . 1 . . . . 4 K HG2 . 16943 1 32 . 1 1 5 5 ASN H H 1 8.147 0.006 . 1 . . . . 5 N HN . 16943 1 33 . 1 1 5 5 ASN HA H 1 4.728 0.006 . 1 . . . . 5 N HA . 16943 1 34 . 1 1 5 5 ASN HB2 H 1 2.707 0.006 . 1 . . . . 5 N HB1 . 16943 1 35 . 1 1 5 5 ASN HB3 H 1 2.809 0.006 . 1 . . . . 5 N HB2 . 16943 1 36 . 1 1 5 5 ASN HD21 H 1 7.413 0.006 . 1 . . . . 5 N HD21 . 16943 1 37 . 1 1 5 5 ASN HD22 H 1 6.666 0.006 . 1 . . . . 5 N HD22 . 16943 1 38 . 1 1 6 6 ILE H H 1 7.706 0.006 . 1 . . . . 6 I HN . 16943 1 39 . 1 1 6 6 ILE HA H 1 4.205 0.006 . 1 . . . . 6 I HA . 16943 1 40 . 1 1 6 6 ILE HB H 1 1.877 0.006 . 1 . . . . 6 I HB . 16943 1 41 . 1 1 6 6 ILE HD11 H 1 0.830 0.006 . 1 . . . . 6 I HD11 . 16943 1 42 . 1 1 6 6 ILE HD12 H 1 0.830 0.006 . 1 . . . . 6 I HD12 . 16943 1 43 . 1 1 6 6 ILE HD13 H 1 0.830 0.006 . 1 . . . . 6 I HD13 . 16943 1 44 . 1 1 6 6 ILE HG12 H 1 1.141 0.006 . 1 . . . . 6 I HG11 . 16943 1 45 . 1 1 6 6 ILE HG13 H 1 1.427 0.006 . 1 . . . . 6 I HG12 . 16943 1 46 . 1 1 6 6 ILE HG21 H 1 0.883 0.006 . 1 . . . . 6 I HG21 . 16943 1 47 . 1 1 6 6 ILE HG22 H 1 0.883 0.006 . 1 . . . . 6 I HG22 . 16943 1 48 . 1 1 6 6 ILE HG23 H 1 0.883 0.006 . 1 . . . . 6 I HG23 . 16943 1 49 . 1 1 7 7 LEU H H 1 7.841 0.006 . 1 . . . . 7 L HN . 16943 1 50 . 1 1 7 7 LEU HA H 1 4.647 0.006 . 1 . . . . 7 L HA . 16943 1 51 . 1 1 7 7 LEU HB2 H 1 1.618 0.006 . 1 . . . . 7 L HB1 . 16943 1 52 . 1 1 7 7 LEU HB3 H 1 1.637 0.006 . 1 . . . . 7 L HB2 . 16943 1 53 . 1 1 7 7 LEU HD11 H 1 0.917 0.006 . 1 . . . . 7 L HD11 . 16943 1 54 . 1 1 7 7 LEU HD12 H 1 0.917 0.006 . 1 . . . . 7 L HD12 . 16943 1 55 . 1 1 7 7 LEU HD13 H 1 0.917 0.006 . 1 . . . . 7 L HD13 . 16943 1 56 . 1 1 7 7 LEU HD21 H 1 0.902 0.006 . 1 . . . . 7 L HD21 . 16943 1 57 . 1 1 7 7 LEU HD22 H 1 0.902 0.006 . 1 . . . . 7 L HD22 . 16943 1 58 . 1 1 7 7 LEU HD23 H 1 0.902 0.006 . 1 . . . . 7 L HD23 . 16943 1 59 . 1 1 7 7 LEU HG H 1 1.554 0.006 . 1 . . . . 7 L HG . 16943 1 60 . 1 1 8 8 PRO HA H 1 4.372 0.006 . 1 . . . . 8 P HA . 16943 1 61 . 1 1 8 8 PRO HB2 H 1 1.925 0.006 . 1 . . . . 8 P HB1 . 16943 1 62 . 1 1 8 8 PRO HB3 H 1 2.267 0.006 . 1 . . . . 8 P HB2 . 16943 1 63 . 1 1 8 8 PRO HD2 H 1 3.630 0.006 . 1 . . . . 8 P HD1 . 16943 1 64 . 1 1 8 8 PRO HD3 H 1 3.797 0.006 . 1 . . . . 8 P HD2 . 16943 1 65 . 1 1 8 8 PRO HG2 H 1 1.995 0.006 . 1 . . . . 8 P HG1 . 16943 1 66 . 1 1 8 8 PRO HG3 H 1 2.047 0.006 . 1 . . . . 8 P HG2 . 16943 1 67 . 1 1 9 9 GLN H H 1 8.408 0.006 . 1 . . . . 9 Q HN . 16943 1 68 . 1 1 9 9 GLN HA H 1 4.226 0.006 . 1 . . . . 9 Q HA . 16943 1 69 . 1 1 9 9 GLN HB2 H 1 1.992 0.006 . 2 . . . . 9 Q HB1 . 16943 1 70 . 1 1 9 9 GLN HB3 H 1 2.110 0.006 . 1 . . . . 9 Q HB2 . 16943 1 71 . 1 1 9 9 GLN HE21 H 1 7.348 0.006 . 1 . . . . 9 Q HE21 . 16943 1 72 . 1 1 9 9 GLN HE22 H 1 6.506 0.006 . 1 . . . . 9 Q HE22 . 16943 1 73 . 1 1 9 9 GLN HG2 H 1 2.380 0.006 . 1 . . . . 9 Q HG1 . 16943 1 74 . 1 1 9 9 GLN HG3 H 1 2.377 0.006 . 1 . . . . 9 Q HG2 . 16943 1 75 . 1 1 10 10 GLN H H 1 8.202 0.006 . 1 . . . . 10 Q HN . 16943 1 76 . 1 1 10 10 GLN HA H 1 4.278 0.006 . 1 . . . . 10 Q HA . 16943 1 77 . 1 1 10 10 GLN HB2 H 1 2.063 0.006 . 2 . . . . 10 Q HB1 . 16943 1 78 . 1 1 10 10 GLN HB3 H 1 2.136 0.006 . 2 . . . . 10 Q HB2 . 16943 1 79 . 1 1 10 10 GLN HG2 H 1 2.351 0.006 . 1 . . . . 10 Q HG1 . 16943 1 80 . 1 1 10 10 GLN HG3 H 1 2.351 0.006 . 1 . . . . 10 Q HG2 . 16943 1 81 . 1 1 11 11 GLY H H 1 8.150 0.006 . 1 . . . . 11 G HN . 16943 1 82 . 1 1 11 11 GLY HA2 H 1 3.866 0.006 . 1 . . . . 11 G HA1 . 16943 1 83 . 1 1 11 11 GLY HA3 H 1 3.974 0.006 . 1 . . . . 11 G HA2 . 16943 1 84 . 1 1 12 12 GLN H H 1 7.967 0.006 . 1 . . . . 12 Q HN . 16943 1 85 . 1 1 12 12 GLN HA H 1 4.456 0.006 . 1 . . . . 12 Q HA . 16943 1 86 . 1 1 12 12 GLN HB2 H 1 2.048 0.006 . 2 . . . . 12 Q HB1 . 16943 1 87 . 1 1 12 12 GLN HB3 H 1 2.139 0.006 . 1 . . . . 12 Q HB2 . 16943 1 88 . 1 1 12 12 GLN HG2 H 1 2.408 0.006 . 1 . . . . 12 Q HG1 . 16943 1 89 . 1 1 12 12 GLN HG3 H 1 2.424 0.006 . 2 . . . . 12 Q HG2 . 16943 1 90 . 1 1 13 13 PRO HA H 1 4.313 0.006 . 1 . . . . 13 P HA . 16943 1 91 . 1 1 13 13 PRO HB2 H 1 1.897 0.006 . 2 . . . . 13 P HB1 . 16943 1 92 . 1 1 13 13 PRO HB3 H 1 2.281 0.006 . 2 . . . . 13 P HB2 . 16943 1 93 . 1 1 13 13 PRO HD2 H 1 3.714 0.006 . 2 . . . . 13 P HD1 . 16943 1 94 . 1 1 13 13 PRO HD3 H 1 3.776 0.006 . 2 . . . . 13 P HD2 . 16943 1 95 . 1 1 13 13 PRO HG2 H 1 1.996 0.006 . 2 . . . . 13 P HG1 . 16943 1 96 . 1 1 13 13 PRO HG3 H 1 2.075 0.006 . 2 . . . . 13 P HG2 . 16943 1 97 . 1 1 14 14 VAL H H 1 7.602 0.006 . 1 . . . . 14 V HN . 16943 1 98 . 1 1 14 14 VAL HA H 1 3.829 0.006 . 1 . . . . 14 V HA . 16943 1 99 . 1 1 14 14 VAL HB H 1 2.125 0.006 . 1 . . . . 14 V HB . 16943 1 100 . 1 1 14 14 VAL HG11 H 1 0.996 0.006 . 2 . . . . 14 V HG11 . 16943 1 101 . 1 1 14 14 VAL HG12 H 1 0.996 0.006 . 2 . . . . 14 V HG12 . 16943 1 102 . 1 1 14 14 VAL HG13 H 1 0.996 0.006 . 2 . . . . 14 V HG13 . 16943 1 103 . 1 1 14 14 VAL HG21 H 1 0.922 0.006 . 2 . . . . 14 V HG21 . 16943 1 104 . 1 1 14 14 VAL HG22 H 1 0.922 0.006 . 2 . . . . 14 V HG22 . 16943 1 105 . 1 1 14 14 VAL HG23 H 1 0.922 0.006 . 1 . . . . 14 V HG23 . 16943 1 106 . 1 1 15 15 ILE H H 1 7.700 0.006 . 1 . . . . 15 I HN . 16943 1 107 . 1 1 15 15 ILE HA H 1 3.849 0.006 . 1 . . . . 15 I HA . 16943 1 108 . 1 1 15 15 ILE HB H 1 1.934 0.006 . 1 . . . . 15 I HB . 16943 1 109 . 1 1 15 15 ILE HD11 H 1 0.833 0.006 . 2 . . . . 15 I HD11 . 16943 1 110 . 1 1 15 15 ILE HD12 H 1 0.833 0.006 . 2 . . . . 15 I HD12 . 16943 1 111 . 1 1 15 15 ILE HD13 H 1 0.833 0.006 . 2 . . . . 15 I HD13 . 16943 1 112 . 1 1 15 15 ILE HG12 H 1 1.187 0.006 . 2 . . . . 15 I HG11 . 16943 1 113 . 1 1 15 15 ILE HG13 H 1 1.546 0.006 . 2 . . . . 15 I HG12 . 16943 1 114 . 1 1 15 15 ILE HG21 H 1 0.894 0.006 . 2 . . . . 15 I HG21 . 16943 1 115 . 1 1 15 15 ILE HG22 H 1 0.894 0.006 . 2 . . . . 15 I HG22 . 16943 1 116 . 1 1 15 15 ILE HG23 H 1 0.894 0.006 . 2 . . . . 15 I HG23 . 16943 1 117 . 1 1 16 16 ARG H H 1 7.858 0.006 . 1 . . . . 16 R HN . 16943 1 118 . 1 1 16 16 ARG HA H 1 4.100 0.006 . 1 . . . . 16 R HA . 16943 1 119 . 1 1 16 16 ARG HB2 H 1 1.849 0.006 . 2 . . . . 16 R HB1 . 16943 1 120 . 1 1 16 16 ARG HB3 H 1 1.854 0.006 . 2 . . . . 16 R HB2 . 16943 1 121 . 1 1 16 16 ARG HD2 H 1 3.148 0.006 . 2 . . . . 16 R HD1 . 16943 1 122 . 1 1 16 16 ARG HD3 H 1 3.161 0.006 . 2 . . . . 16 R HD2 . 16943 1 123 . 1 1 16 16 ARG HE H 1 7.144 0.006 . 1 . . . . 16 R HE . 16943 1 124 . 1 1 16 16 ARG HG2 H 1 1.633 0.006 . 2 . . . . 16 R HG1 . 16943 1 125 . 1 1 16 16 ARG HG3 H 1 1.687 0.006 . 2 . . . . 16 R HG2 . 16943 1 126 . 1 1 17 17 LEU H H 1 8.107 0.006 . 1 . . . . 17 L HN . 16943 1 127 . 1 1 17 17 LEU HA H 1 4.250 0.006 . 1 . . . . 17 L HA . 16943 1 128 . 1 1 17 17 LEU HB2 H 1 1.598 0.006 . 2 . . . . 17 L HB1 . 16943 1 129 . 1 1 17 17 LEU HB3 H 1 1.782 0.006 . 2 . . . . 17 L HB2 . 16943 1 130 . 1 1 17 17 LEU HD11 H 1 0.866 0.006 . 2 . . . . 17 L HD11 . 16943 1 131 . 1 1 17 17 LEU HD12 H 1 0.866 0.006 . 2 . . . . 17 L HD12 . 16943 1 132 . 1 1 17 17 LEU HD13 H 1 0.866 0.006 . 2 . . . . 17 L HD13 . 16943 1 133 . 1 1 17 17 LEU HD21 H 1 0.857 0.006 . 2 . . . . 17 L HD21 . 16943 1 134 . 1 1 17 17 LEU HD22 H 1 0.857 0.006 . 2 . . . . 17 L HD22 . 16943 1 135 . 1 1 17 17 LEU HD23 H 1 0.857 0.006 . 2 . . . . 17 L HD23 . 16943 1 136 . 1 1 18 18 THR H H 1 7.982 0.006 . 1 . . . . 18 T HN . 16943 1 137 . 1 1 18 18 THR HA H 1 4.115 0.006 . 1 . . . . 18 T HA . 16943 1 138 . 1 1 18 18 THR HB H 1 4.332 0.006 . 1 . . . . 18 T HB . 16943 1 139 . 1 1 18 18 THR HG21 H 1 1.232 0.006 . 2 . . . . 18 T HG21 . 16943 1 140 . 1 1 18 18 THR HG22 H 1 1.232 0.006 . 2 . . . . 18 T HG22 . 16943 1 141 . 1 1 18 18 THR HG23 H 1 1.232 0.006 . 2 . . . . 18 T HG23 . 16943 1 142 . 1 1 19 19 ALA H H 1 8.452 0.006 . 1 . . . . 19 A HN . 16943 1 143 . 1 1 19 19 ALA HA H 1 4.120 0.006 . 1 . . . . 19 A HA . 16943 1 144 . 1 1 19 19 ALA HB1 H 1 1.457 0.006 . 2 . . . . 19 A HB1 . 16943 1 145 . 1 1 19 19 ALA HB2 H 1 1.457 0.006 . 1 . . . . 19 A HB2 . 16943 1 146 . 1 1 19 19 ALA HB3 H 1 1.457 0.006 . 1 . . . . 19 A HB3 . 16943 1 147 . 1 1 20 20 GLY H H 1 8.243 0.006 . 1 . . . . 20 G HN . 16943 1 148 . 1 1 20 20 GLY HA2 H 1 3.853 0.006 . 1 . . . . 20 G HA1 . 16943 1 149 . 1 1 20 20 GLY HA3 H 1 3.896 0.006 . 1 . . . . 20 G HA2 . 16943 1 150 . 1 1 21 21 GLN H H 1 8.033 0.006 . 1 . . . . 21 Q HN . 16943 1 151 . 1 1 21 21 GLN HA H 1 4.177 0.006 . 1 . . . . 21 Q HA . 16943 1 152 . 1 1 21 21 GLN HB2 H 1 2.165 0.006 . 2 . . . . 21 Q HB1 . 16943 1 153 . 1 1 21 21 GLN HB3 H 1 2.237 0.006 . 2 . . . . 21 Q HB2 . 16943 1 154 . 1 1 21 21 GLN HG2 H 1 2.444 0.006 . 2 . . . . 21 Q HG1 . 16943 1 155 . 1 1 21 21 GLN HG3 H 1 2.456 0.006 . 2 . . . . 21 Q HG2 . 16943 1 156 . 1 1 22 22 LEU H H 1 8.321 0.006 . 1 . . . . 22 L HN . 16943 1 157 . 1 1 22 22 LEU HA H 1 4.175 0.006 . 1 . . . . 22 L HA . 16943 1 158 . 1 1 22 22 LEU HB2 H 1 1.628 0.006 . 2 . . . . 22 L HB1 . 16943 1 159 . 1 1 22 22 LEU HB3 H 1 1.747 0.006 . 2 . . . . 22 L HB2 . 16943 1 160 . 1 1 22 22 LEU HD11 H 1 0.877 0.006 . 2 . . . . 22 L HD11 . 16943 1 161 . 1 1 22 22 LEU HD12 H 1 0.877 0.006 . 2 . . . . 22 L HD12 . 16943 1 162 . 1 1 22 22 LEU HD13 H 1 0.877 0.006 . 1 . . . . 22 L HD13 . 16943 1 163 . 1 1 22 22 LEU HD21 H 1 0.862 0.006 . 2 . . . . 22 L HD21 . 16943 1 164 . 1 1 22 22 LEU HD22 H 1 0.862 0.006 . 2 . . . . 22 L HD22 . 16943 1 165 . 1 1 22 22 LEU HD23 H 1 0.862 0.006 . 2 . . . . 22 L HD23 . 16943 1 166 . 1 1 23 23 SER H H 1 8.174 0.006 . 1 . . . . 23 S HN . 16943 1 167 . 1 1 23 23 SER HA H 1 4.186 0.006 . 1 . . . . 23 S HA . 16943 1 168 . 1 1 23 23 SER HB2 H 1 3.956 0.006 . 2 . . . . 23 S HB1 . 16943 1 169 . 1 1 23 23 SER HB3 H 1 4.009 0.006 . 2 . . . . 23 S HB2 . 16943 1 170 . 1 1 24 24 SER H H 1 7.808 0.006 . 2 . . . . 24 S HN . 16943 1 171 . 1 1 24 24 SER HA H 1 4.317 0.006 . 2 . . . . 24 S HA . 16943 1 172 . 1 1 24 24 SER HB2 H 1 4.003 0.006 . 2 . . . . 24 S HB1 . 16943 1 173 . 1 1 24 24 SER HB3 H 1 4.021 0.006 . 2 . . . . 24 S HB2 . 16943 1 174 . 1 1 25 25 GLN H H 1 7.922 0.006 . 2 . . . . 25 Q HN . 16943 1 175 . 1 1 25 25 GLN HA H 1 4.275 0.006 . 1 . . . . 25 Q HA . 16943 1 176 . 1 1 25 25 GLN HB2 H 1 2.150 0.006 . 2 . . . . 25 Q HB1 . 16943 1 177 . 1 1 25 25 GLN HB3 H 1 2.179 0.006 . 2 . . . . 25 Q HB2 . 16943 1 178 . 1 1 25 25 GLN HG2 H 1 2.421 0.006 . 1 . . . . 25 Q HG1 . 16943 1 179 . 1 1 25 25 GLN HG3 H 1 2.430 0.006 . 2 . . . . 25 Q HG2 . 16943 1 180 . 1 1 26 26 LEU H H 1 7.891 0.006 . 2 . . . . 26 L HN . 16943 1 181 . 1 1 26 26 LEU HA H 1 4.278 0.006 . 2 . . . . 26 L HA . 16943 1 182 . 1 1 26 26 LEU HB2 H 1 1.745 0.006 . 2 . . . . 26 L HB1 . 16943 1 183 . 1 1 26 26 LEU HB3 H 1 1.754 0.006 . 2 . . . . 26 L HB2 . 16943 1 184 . 1 1 26 26 LEU HD11 H 1 0.872 0.006 . 2 . . . . 26 L HD11 . 16943 1 185 . 1 1 26 26 LEU HD12 H 1 0.872 0.006 . 2 . . . . 26 L HD12 . 16943 1 186 . 1 1 26 26 LEU HD13 H 1 0.872 0.006 . 2 . . . . 26 L HD13 . 16943 1 187 . 1 1 26 26 LEU HD21 H 1 0.859 0.006 . 2 . . . . 26 L HD21 . 16943 1 188 . 1 1 26 26 LEU HD22 H 1 0.859 0.006 . 2 . . . . 26 L HD22 . 16943 1 189 . 1 1 26 26 LEU HD23 H 1 0.859 0.006 . 2 . . . . 26 L HD23 . 16943 1 190 . 1 1 26 26 LEU HG H 1 1.579 0.006 . 2 . . . . 26 L HG . 16943 1 191 . 1 1 27 27 ALA H H 1 7.659 0.006 . 2 . . . . 27 A HN . 16943 1 192 . 1 1 27 27 ALA HA H 1 4.298 0.006 . 2 . . . . 27 A HA . 16943 1 193 . 1 1 27 27 ALA HB1 H 1 1.430 0.006 . 2 . . . . 27 A HB1 . 16943 1 194 . 1 1 27 27 ALA HB2 H 1 1.430 0.006 . 2 . . . . 27 A HB2 . 16943 1 195 . 1 1 27 27 ALA HB3 H 1 1.430 0.006 . 2 . . . . 27 A HB3 . 16943 1 196 . 1 1 28 28 GLU H H 1 7.752 0.006 . 1 . . . . 28 E HN . 16943 1 197 . 1 1 28 28 GLU HA H 1 4.312 0.006 . 1 . . . . 28 E HA . 16943 1 198 . 1 1 28 28 GLU HB2 H 1 2.039 0.006 . 2 . . . . 28 E HB1 . 16943 1 199 . 1 1 28 28 GLU HB3 H 1 2.244 0.006 . 1 . . . . 28 E HB2 . 16943 1 200 . 1 1 28 28 GLU HG2 H 1 2.449 0.006 . 2 . . . . 28 E HG1 . 16943 1 201 . 1 1 28 28 GLU HG3 H 1 2.486 0.006 . 2 . . . . 28 E HG2 . 16943 1 202 . 1 1 29 29 LEU H H 1 7.995 0.006 . 1 . . . . 29 L HN . 16943 1 203 . 1 1 29 29 LEU HA H 1 4.351 0.006 . 1 . . . . 29 L HA . 16943 1 204 . 1 1 29 29 LEU HB2 H 1 1.602 0.006 . 1 . . . . 29 L HB1 . 16943 1 205 . 1 1 29 29 LEU HB3 H 1 1.637 0.006 . 1 . . . . 29 L HB2 . 16943 1 206 . 1 1 29 29 LEU HD11 H 1 0.893 0.006 . 1 . . . . 29 L HD11 . 16943 1 207 . 1 1 29 29 LEU HD12 H 1 0.893 0.006 . 1 . . . . 29 L HD12 . 16943 1 208 . 1 1 29 29 LEU HD13 H 1 0.893 0.006 . 1 . . . . 29 L HD13 . 16943 1 209 . 1 1 29 29 LEU HD21 H 1 0.867 0.006 . 2 . . . . 29 L HD21 . 16943 1 210 . 1 1 29 29 LEU HD22 H 1 0.867 0.006 . 2 . . . . 29 L HD22 . 16943 1 211 . 1 1 29 29 LEU HD23 H 1 0.867 0.006 . 1 . . . . 29 L HD23 . 16943 1 212 . 1 1 30 30 SER H H 1 8.079 0.006 . 1 . . . . 30 S HN . 16943 1 213 . 1 1 30 30 SER HA H 1 4.453 0.006 . 1 . . . . 30 S HA . 16943 1 214 . 1 1 30 30 SER HB2 H 1 3.872 0.006 . 1 . . . . 30 S HB1 . 16943 1 215 . 1 1 30 30 SER HB3 H 1 3.905 0.006 . 1 . . . . 30 S HB2 . 16943 1 216 . 1 1 31 31 GLU H H 1 8.070 0.006 . 1 . . . . 31 E HN . 16943 1 217 . 1 1 31 31 GLU HA H 1 4.425 0.006 . 1 . . . . 31 E HA . 16943 1 218 . 1 1 31 31 GLU HB2 H 1 1.989 0.006 . 1 . . . . 31 E HB1 . 16943 1 219 . 1 1 31 31 GLU HB3 H 1 2.261 0.006 . 1 . . . . 31 E HB2 . 16943 1 220 . 1 1 31 31 GLU HG2 H 1 2.396 0.006 . 1 . . . . 31 E HG1 . 16943 1 221 . 1 1 31 31 GLU HG3 H 1 2.395 0.006 . 2 . . . . 31 E HG2 . 16943 1 222 . 1 1 32 32 GLU H H 1 8.025 0.006 . 1 . . . . 32 E HN . 16943 1 223 . 1 1 32 32 GLU HA H 1 4.376 0.006 . 1 . . . . 32 E HA . 16943 1 224 . 1 1 32 32 GLU HB2 H 1 1.947 0.006 . 2 . . . . 32 E HB1 . 16943 1 225 . 1 1 32 32 GLU HB3 H 1 2.165 0.006 . 2 . . . . 32 E HB2 . 16943 1 226 . 1 1 32 32 GLU HG2 H 1 2.366 0.006 . 2 . . . . 32 E HG1 . 16943 1 227 . 1 1 32 32 GLU HG3 H 1 2.381 0.006 . 2 . . . . 32 E HG2 . 16943 1 228 . 1 1 33 33 ALA H H 1 7.978 0.006 . 1 . . . . 33 A HN . 16943 1 229 . 1 1 33 33 ALA HA H 1 4.285 0.006 . 1 . . . . 33 A HA . 16943 1 230 . 1 1 33 33 ALA HB1 H 1 1.339 0.006 . 2 . . . . 33 A HB1 . 16943 1 231 . 1 1 33 33 ALA HB2 H 1 1.339 0.006 . 2 . . . . 33 A HB2 . 16943 1 232 . 1 1 33 33 ALA HB3 H 1 1.339 0.006 . 2 . . . . 33 A HB3 . 16943 1 233 . 1 1 34 34 LEU H H 1 7.765 0.006 . 1 . . . . 34 L HN . 16943 1 234 . 1 1 34 34 LEU HA H 1 4.313 0.006 . 1 . . . . 34 L HA . 16943 1 235 . 1 1 34 34 LEU HB2 H 1 1.590 0.006 . 2 . . . . 34 L HB1 . 16943 1 236 . 1 1 34 34 LEU HB3 H 1 1.625 0.006 . 2 . . . . 34 L HB2 . 16943 1 237 . 1 1 34 34 LEU HD11 H 1 0.887 0.006 . 2 . . . . 34 L HD11 . 16943 1 238 . 1 1 34 34 LEU HD12 H 1 0.887 0.006 . 2 . . . . 34 L HD12 . 16943 1 239 . 1 1 34 34 LEU HD13 H 1 0.887 0.006 . 2 . . . . 34 L HD13 . 16943 1 240 . 1 1 34 34 LEU HD21 H 1 0.855 0.006 . 2 . . . . 34 L HD21 . 16943 1 241 . 1 1 34 34 LEU HD22 H 1 0.855 0.006 . 2 . . . . 34 L HD22 . 16943 1 242 . 1 1 34 34 LEU HD23 H 1 0.855 0.006 . 2 . . . . 34 L HD23 . 16943 1 stop_ save_