################################### # 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 34732 _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 TOCSY' . . . 34732 1 2 '2D 1H-1H COSY' . . . 34732 1 3 '2D 1H-1H NOESY' . . . 34732 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 VAL HA H 1 3.786 . . 1 . . . . A 1 VAL HA . 34732 1 2 . 1 . 1 1 1 VAL HB H 1 2.166 . . 1 . . . . A 1 VAL HB . 34732 1 3 . 1 . 1 1 1 VAL HG11 H 1 1.006 . . 2 . . . . A 1 VAL HG11 . 34732 1 4 . 1 . 1 1 1 VAL HG12 H 1 1.006 . . 2 . . . . A 1 VAL HG12 . 34732 1 5 . 1 . 1 1 1 VAL HG13 H 1 1.006 . . 2 . . . . A 1 VAL HG13 . 34732 1 6 . 1 . 1 1 1 VAL HG21 H 1 0.966 . . 2 . . . . A 1 VAL HG21 . 34732 1 7 . 1 . 1 1 1 VAL HG22 H 1 0.966 . . 2 . . . . A 1 VAL HG22 . 34732 1 8 . 1 . 1 1 1 VAL HG23 H 1 0.966 . . 2 . . . . A 1 VAL HG23 . 34732 1 9 . 1 . 1 2 2 ASP H H 1 8.760 . . 1 . . . . A 2 ASP H . 34732 1 10 . 1 . 1 2 2 ASP HA H 1 4.766 . . 1 . . . . A 2 ASP HA . 34732 1 11 . 1 . 1 2 2 ASP HB2 H 1 2.866 . . 2 . . . . A 2 ASP HB2 . 34732 1 12 . 1 . 1 2 2 ASP HB3 H 1 2.738 . . 2 . . . . A 2 ASP HB3 . 34732 1 13 . 1 . 1 3 3 ALA H H 1 8.702 . . 1 . . . . A 3 ALA H . 34732 1 14 . 1 . 1 3 3 ALA HA H 1 4.176 . . 1 . . . . A 3 ALA HA . 34732 1 15 . 1 . 1 3 3 ALA HB1 H 1 1.482 . . 1 . . . . A 3 ALA HB1 . 34732 1 16 . 1 . 1 3 3 ALA HB2 H 1 1.482 . . 1 . . . . A 3 ALA HB2 . 34732 1 17 . 1 . 1 3 3 ALA HB3 H 1 1.482 . . 1 . . . . A 3 ALA HB3 . 34732 1 18 . 1 . 1 4 4 CYS H H 1 8.466 . . 1 . . . . A 4 CYS H . 34732 1 19 . 1 . 1 4 4 CYS HA H 1 4.186 . . 1 . . . . A 4 CYS HA . 34732 1 20 . 1 . 1 4 4 CYS HB2 H 1 3.436 . . 2 . . . . A 4 CYS HB2 . 34732 1 21 . 1 . 1 4 4 CYS HB3 H 1 3.153 . . 2 . . . . A 4 CYS HB3 . 34732 1 22 . 1 . 1 5 5 TYR H H 1 8.416 . . 1 . . . . A 5 TYR H . 34732 1 23 . 1 . 1 5 5 TYR HA H 1 3.781 . . 1 . . . . A 5 TYR HA . 34732 1 24 . 1 . 1 5 5 TYR HB2 H 1 3.082 . . 2 . . . . A 5 TYR HB2 . 34732 1 25 . 1 . 1 5 5 TYR HB3 H 1 2.973 . . 2 . . . . A 5 TYR HB3 . 34732 1 26 . 1 . 1 5 5 TYR HD1 H 1 6.894 . . 3 . . . . A 5 TYR HD1 . 34732 1 27 . 1 . 1 5 5 TYR HD2 H 1 6.894 . . 3 . . . . A 5 TYR HD2 . 34732 1 28 . 1 . 1 5 5 TYR HE1 H 1 6.806 . . 3 . . . . A 5 TYR HE1 . 34732 1 29 . 1 . 1 5 5 TYR HE2 H 1 6.806 . . 3 . . . . A 5 TYR HE2 . 34732 1 30 . 1 . 1 6 6 GLU H H 1 8.266 . . 1 . . . . A 6 GLU H . 34732 1 31 . 1 . 1 6 6 GLU HA H 1 3.782 . . 1 . . . . A 6 GLU HA . 34732 1 32 . 1 . 1 6 6 GLU HB2 H 1 2.022 . . 2 . . . . A 6 GLU HB2 . 34732 1 33 . 1 . 1 6 6 GLU HB3 H 1 2.022 . . 2 . . . . A 6 GLU HB3 . 34732 1 34 . 1 . 1 6 6 GLU HG2 H 1 2.442 . . 2 . . . . A 6 GLU HG2 . 34732 1 35 . 1 . 1 6 6 GLU HG3 H 1 2.442 . . 2 . . . . A 6 GLU HG3 . 34732 1 36 . 1 . 1 7 7 ALA H H 1 7.956 . . 1 . . . . A 7 ALA H . 34732 1 37 . 1 . 1 7 7 ALA HA H 1 4.056 . . 1 . . . . A 7 ALA HA . 34732 1 38 . 1 . 1 7 7 ALA HB1 H 1 1.463 . . 1 . . . . A 7 ALA HB1 . 34732 1 39 . 1 . 1 7 7 ALA HB2 H 1 1.463 . . 1 . . . . A 7 ALA HB2 . 34732 1 40 . 1 . 1 7 7 ALA HB3 H 1 1.463 . . 1 . . . . A 7 ALA HB3 . 34732 1 41 . 1 . 1 8 8 CYS H H 1 8.145 . . 1 . . . . A 8 CYS H . 34732 1 42 . 1 . 1 8 8 CYS HA H 1 4.261 . . 1 . . . . A 8 CYS HA . 34732 1 43 . 1 . 1 8 8 CYS HB2 H 1 3.126 . . 2 . . . . A 8 CYS HB2 . 34732 1 44 . 1 . 1 8 8 CYS HB3 H 1 3.126 . . 2 . . . . A 8 CYS HB3 . 34732 1 45 . 1 . 1 9 9 MET H H 1 8.309 . . 1 . . . . A 9 MET H . 34732 1 46 . 1 . 1 9 9 MET HA H 1 4.426 . . 1 . . . . A 9 MET HA . 34732 1 47 . 1 . 1 9 9 MET HB2 H 1 1.896 . . 2 . . . . A 9 MET HB2 . 34732 1 48 . 1 . 1 9 9 MET HB3 H 1 1.796 . . 2 . . . . A 9 MET HB3 . 34732 1 49 . 1 . 1 9 9 MET HG2 H 1 1.726 . . 2 . . . . A 9 MET HG2 . 34732 1 50 . 1 . 1 9 9 MET HG3 H 1 1.726 . . 2 . . . . A 9 MET HG3 . 34732 1 51 . 1 . 1 9 9 MET HE1 H 1 1.922 . . 1 . . . . A 9 MET HE1 . 34732 1 52 . 1 . 1 9 9 MET HE2 H 1 1.922 . . 1 . . . . A 9 MET HE2 . 34732 1 53 . 1 . 1 9 9 MET HE3 H 1 1.922 . . 1 . . . . A 9 MET HE3 . 34732 1 54 . 1 . 1 10 10 HIS H H 1 7.719 . . 1 . . . . A 10 HIS H . 34732 1 55 . 1 . 1 10 10 HIS HA H 1 4.500 . . 1 . . . . A 10 HIS HA . 34732 1 56 . 1 . 1 10 10 HIS HB2 H 1 3.201 . . 2 . . . . A 10 HIS HB2 . 34732 1 57 . 1 . 1 10 10 HIS HB3 H 1 3.139 . . 2 . . . . A 10 HIS HB3 . 34732 1 58 . 1 . 1 10 10 HIS HD2 H 1 7.246 . . 1 . . . . A 10 HIS HD2 . 34732 1 59 . 1 . 1 10 10 HIS HE1 H 1 8.576 . . 1 . . . . A 10 HIS HE1 . 34732 1 60 . 1 . 1 11 11 HIS H H 1 7.781 . . 1 . . . . A 11 HIS H . 34732 1 61 . 1 . 1 11 11 HIS HA H 1 4.741 . . 1 . . . . A 11 HIS HA . 34732 1 62 . 1 . 1 11 11 HIS HB2 H 1 3.354 . . 2 . . . . A 11 HIS HB2 . 34732 1 63 . 1 . 1 11 11 HIS HB3 H 1 3.176 . . 2 . . . . A 11 HIS HB3 . 34732 1 64 . 1 . 1 11 11 HIS HD2 H 1 7.376 . . 1 . . . . A 11 HIS HD2 . 34732 1 65 . 1 . 1 11 11 HIS HE1 H 1 8.605 . . 1 . . . . A 11 HIS HE1 . 34732 1 66 . 1 . 1 12 12 HIS H H 1 8.286 . . 1 . . . . A 12 HIS H . 34732 1 67 . 1 . 1 12 12 HIS HA H 1 4.591 . . 1 . . . . A 12 HIS HA . 34732 1 68 . 1 . 1 12 12 HIS HB2 H 1 3.373 . . 2 . . . . A 12 HIS HB2 . 34732 1 69 . 1 . 1 12 12 HIS HB3 H 1 3.166 . . 2 . . . . A 12 HIS HB3 . 34732 1 70 . 1 . 1 12 12 HIS HD2 H 1 7.344 . . 1 . . . . A 12 HIS HD2 . 34732 1 71 . 1 . 1 12 12 HIS HE1 H 1 8.602 . . 1 . . . . A 12 HIS HE1 . 34732 1 72 . 1 . 1 13 13 MET H H 1 7.894 . . 1 . . . . A 13 MET H . 34732 1 73 . 1 . 1 13 13 MET HA H 1 4.480 . . 1 . . . . A 13 MET HA . 34732 1 74 . 1 . 1 13 13 MET HB2 H 1 1.938 . . 2 . . . . A 13 MET HB2 . 34732 1 75 . 1 . 1 13 13 MET HB3 H 1 2.093 . . 2 . . . . A 13 MET HB3 . 34732 1 76 . 1 . 1 13 13 MET HG2 H 1 2.493 . . 2 . . . . A 13 MET HG2 . 34732 1 77 . 1 . 1 13 13 MET HG3 H 1 2.549 . . 2 . . . . A 13 MET HG3 . 34732 1 78 . 1 . 1 13 13 MET HE1 H 1 2.032 . . 1 . . . . A 13 MET HE1 . 34732 1 79 . 1 . 1 13 13 MET HE2 H 1 2.032 . . 1 . . . . A 13 MET HE2 . 34732 1 80 . 1 . 1 13 13 MET HE3 H 1 2.032 . . 1 . . . . A 13 MET HE3 . 34732 1 81 . 1 . 1 14 14 ASN H H 1 7.953 . . 1 . . . . A 14 ASN H . 34732 1 82 . 1 . 1 14 14 ASN HA H 1 4.696 . . 1 . . . . A 14 ASN HA . 34732 1 83 . 1 . 1 14 14 ASN HB2 H 1 2.796 . . 2 . . . . A 14 ASN HB2 . 34732 1 84 . 1 . 1 14 14 ASN HB3 H 1 2.726 . . 2 . . . . A 14 ASN HB3 . 34732 1 85 . 1 . 1 14 14 ASN HD21 H 1 7.612 . . 2 . . . . A 14 ASN HD21 . 34732 1 86 . 1 . 1 14 14 ASN HD22 H 1 6.916 . . 2 . . . . A 14 ASN HD22 . 34732 1 87 . 1 . 1 15 15 SER H H 1 8.758 . . 1 . . . . A 15 SER H . 34732 1 88 . 1 . 1 15 15 SER HA H 1 4.536 . . 1 . . . . A 15 SER HA . 34732 1 89 . 1 . 1 15 15 SER HB2 H 1 4.024 . . 2 . . . . A 15 SER HB2 . 34732 1 90 . 1 . 1 15 15 SER HB3 H 1 3.944 . . 2 . . . . A 15 SER HB3 . 34732 1 91 . 1 . 1 16 16 ASP H H 1 8.496 . . 1 . . . . A 16 ASP H . 34732 1 92 . 1 . 1 16 16 ASP HA H 1 4.434 . . 1 . . . . A 16 ASP HA . 34732 1 93 . 1 . 1 16 16 ASP HB2 H 1 2.781 . . 2 . . . . A 16 ASP HB2 . 34732 1 94 . 1 . 1 16 16 ASP HB3 H 1 2.781 . . 2 . . . . A 16 ASP HB3 . 34732 1 95 . 1 . 1 17 17 ASP H H 1 8.104 . . 1 . . . . A 17 ASP H . 34732 1 96 . 1 . 1 17 17 ASP HA H 1 4.426 . . 1 . . . . A 17 ASP HA . 34732 1 97 . 1 . 1 17 17 ASP HB2 H 1 2.781 . . 2 . . . . A 17 ASP HB2 . 34732 1 98 . 1 . 1 17 17 ASP HB3 H 1 2.696 . . 2 . . . . A 17 ASP HB3 . 34732 1 99 . 1 . 1 18 18 CYS H H 1 8.122 . . 1 . . . . A 18 CYS H . 34732 1 100 . 1 . 1 18 18 CYS HA H 1 4.673 . . 1 . . . . A 18 CYS HA . 34732 1 101 . 1 . 1 18 18 CYS HB2 H 1 2.925 . . 2 . . . . A 18 CYS HB2 . 34732 1 102 . 1 . 1 18 18 CYS HB3 H 1 2.754 . . 2 . . . . A 18 CYS HB3 . 34732 1 103 . 1 . 1 19 19 ILE H H 1 8.691 . . 1 . . . . A 19 ILE H . 34732 1 104 . 1 . 1 19 19 ILE HA H 1 3.796 . . 1 . . . . A 19 ILE HA . 34732 1 105 . 1 . 1 19 19 ILE HB H 1 2.031 . . 1 . . . . A 19 ILE HB . 34732 1 106 . 1 . 1 19 19 ILE HG12 H 1 1.151 . . 2 . . . . A 19 ILE HG12 . 34732 1 107 . 1 . 1 19 19 ILE HG13 H 1 1.844 . . 2 . . . . A 19 ILE HG13 . 34732 1 108 . 1 . 1 19 19 ILE HG21 H 1 0.876 . . 1 . . . . A 19 ILE HG21 . 34732 1 109 . 1 . 1 19 19 ILE HG22 H 1 0.876 . . 1 . . . . A 19 ILE HG22 . 34732 1 110 . 1 . 1 19 19 ILE HG23 H 1 0.876 . . 1 . . . . A 19 ILE HG23 . 34732 1 111 . 1 . 1 19 19 ILE HD11 H 1 0.757 . . 1 . . . . A 19 ILE HD11 . 34732 1 112 . 1 . 1 19 19 ILE HD12 H 1 0.757 . . 1 . . . . A 19 ILE HD12 . 34732 1 113 . 1 . 1 19 19 ILE HD13 H 1 0.757 . . 1 . . . . A 19 ILE HD13 . 34732 1 114 . 1 . 1 20 20 GLU H H 1 7.671 . . 1 . . . . A 20 GLU H . 34732 1 115 . 1 . 1 20 20 GLU HA H 1 4.058 . . 1 . . . . A 20 GLU HA . 34732 1 116 . 1 . 1 20 20 GLU HB2 H 1 2.152 . . 2 . . . . A 20 GLU HB2 . 34732 1 117 . 1 . 1 20 20 GLU HB3 H 1 2.152 . . 2 . . . . A 20 GLU HB3 . 34732 1 118 . 1 . 1 20 20 GLU HG2 H 1 2.521 . . 2 . . . . A 20 GLU HG2 . 34732 1 119 . 1 . 1 20 20 GLU HG3 H 1 2.521 . . 2 . . . . A 20 GLU HG3 . 34732 1 120 . 1 . 1 21 21 ALA H H 1 8.176 . . 1 . . . . A 21 ALA H . 34732 1 121 . 1 . 1 21 21 ALA HA H 1 4.162 . . 1 . . . . A 21 ALA HA . 34732 1 122 . 1 . 1 21 21 ALA HB1 H 1 1.516 . . 1 . . . . A 21 ALA HB1 . 34732 1 123 . 1 . 1 21 21 ALA HB2 H 1 1.516 . . 1 . . . . A 21 ALA HB2 . 34732 1 124 . 1 . 1 21 21 ALA HB3 H 1 1.516 . . 1 . . . . A 21 ALA HB3 . 34732 1 125 . 1 . 1 22 22 CYS H H 1 7.582 . . 1 . . . . A 22 CYS H . 34732 1 126 . 1 . 1 22 22 CYS HA H 1 4.711 . . 1 . . . . A 22 CYS HA . 34732 1 127 . 1 . 1 22 22 CYS HB2 H 1 3.360 . . 2 . . . . A 22 CYS HB2 . 34732 1 128 . 1 . 1 22 22 CYS HB3 H 1 3.012 . . 2 . . . . A 22 CYS HB3 . 34732 1 129 . 1 . 1 23 23 LYS H H 1 7.486 . . 1 . . . . A 23 LYS H . 34732 1 130 . 1 . 1 23 23 LYS HA H 1 4.220 . . 1 . . . . A 23 LYS HA . 34732 1 131 . 1 . 1 23 23 LYS HB2 H 1 1.876 . . 2 . . . . A 23 LYS HB2 . 34732 1 132 . 1 . 1 23 23 LYS HB3 H 1 1.846 . . 2 . . . . A 23 LYS HB3 . 34732 1 133 . 1 . 1 23 23 LYS HG2 H 1 1.536 . . 2 . . . . A 23 LYS HG2 . 34732 1 134 . 1 . 1 23 23 LYS HG3 H 1 1.466 . . 2 . . . . A 23 LYS HG3 . 34732 1 135 . 1 . 1 23 23 LYS HD2 H 1 1.666 . . 2 . . . . A 23 LYS HD2 . 34732 1 136 . 1 . 1 23 23 LYS HD3 H 1 1.666 . . 2 . . . . A 23 LYS HD3 . 34732 1 137 . 1 . 1 23 23 LYS HE2 H 1 2.941 . . 2 . . . . A 23 LYS HE2 . 34732 1 138 . 1 . 1 23 23 LYS HE3 H 1 2.941 . . 2 . . . . A 23 LYS HE3 . 34732 1 139 . 1 . 1 23 23 LYS HZ1 H 1 7.556 . . 1 . . . . A 23 LYS HZ1 . 34732 1 140 . 1 . 1 23 23 LYS HZ2 H 1 7.556 . . 1 . . . . A 23 LYS HZ2 . 34732 1 141 . 1 . 1 23 23 LYS HZ3 H 1 7.556 . . 1 . . . . A 23 LYS HZ3 . 34732 1 142 . 1 . 1 24 24 ASN H H 1 8.164 . . 1 . . . . A 24 ASN H . 34732 1 143 . 1 . 1 24 24 ASN HA H 1 5.006 . . 1 . . . . A 24 ASN HA . 34732 1 144 . 1 . 1 24 24 ASN HB2 H 1 2.790 . . 2 . . . . A 24 ASN HB2 . 34732 1 145 . 1 . 1 24 24 ASN HB3 H 1 2.671 . . 2 . . . . A 24 ASN HB3 . 34732 1 146 . 1 . 1 24 24 ASN HD21 H 1 7.612 . . 2 . . . . A 24 ASN HD21 . 34732 1 147 . 1 . 1 24 24 ASN HD22 H 1 6.886 . . 2 . . . . A 24 ASN HD22 . 34732 1 148 . 1 . 1 25 25 PRO HA H 1 4.466 . . 1 . . . . A 25 PRO HA . 34732 1 149 . 1 . 1 25 25 PRO HB2 H 1 2.256 . . 2 . . . . A 25 PRO HB2 . 34732 1 150 . 1 . 1 25 25 PRO HB3 H 1 1.931 . . 2 . . . . A 25 PRO HB3 . 34732 1 151 . 1 . 1 25 25 PRO HG2 H 1 2.006 . . 2 . . . . A 25 PRO HG2 . 34732 1 152 . 1 . 1 25 25 PRO HG3 H 1 2.006 . . 2 . . . . A 25 PRO HG3 . 34732 1 153 . 1 . 1 25 25 PRO HD2 H 1 3.734 . . 2 . . . . A 25 PRO HD2 . 34732 1 154 . 1 . 1 25 25 PRO HD3 H 1 3.686 . . 2 . . . . A 25 PRO HD3 . 34732 1 155 . 1 . 1 26 26 VAL H H 1 8.176 . . 1 . . . . A 26 VAL H . 34732 1 156 . 1 . 1 26 26 VAL HA H 1 4.386 . . 1 . . . . A 26 VAL HA . 34732 1 157 . 1 . 1 26 26 VAL HB H 1 2.055 . . 1 . . . . A 26 VAL HB . 34732 1 158 . 1 . 1 26 26 VAL HG11 H 1 0.972 . . 2 . . . . A 26 VAL HG11 . 34732 1 159 . 1 . 1 26 26 VAL HG12 H 1 0.972 . . 2 . . . . A 26 VAL HG12 . 34732 1 160 . 1 . 1 26 26 VAL HG13 H 1 0.972 . . 2 . . . . A 26 VAL HG13 . 34732 1 161 . 1 . 1 26 26 VAL HG21 H 1 0.949 . . 2 . . . . A 26 VAL HG21 . 34732 1 162 . 1 . 1 26 26 VAL HG22 H 1 0.949 . . 2 . . . . A 26 VAL HG22 . 34732 1 163 . 1 . 1 26 26 VAL HG23 H 1 0.949 . . 2 . . . . A 26 VAL HG23 . 34732 1 164 . 1 . 1 27 27 PRO HA H 1 4.655 . . 1 . . . . A 27 PRO HA . 34732 1 165 . 1 . 1 27 27 PRO HB2 H 1 2.336 . . 2 . . . . A 27 PRO HB2 . 34732 1 166 . 1 . 1 27 27 PRO HB3 H 1 1.920 . . 2 . . . . A 27 PRO HB3 . 34732 1 167 . 1 . 1 27 27 PRO HG2 H 1 1.981 . . 2 . . . . A 27 PRO HG2 . 34732 1 168 . 1 . 1 27 27 PRO HG3 H 1 2.056 . . 2 . . . . A 27 PRO HG3 . 34732 1 169 . 1 . 1 27 27 PRO HD2 H 1 3.876 . . 2 . . . . A 27 PRO HD2 . 34732 1 170 . 1 . 1 27 27 PRO HD3 H 1 3.653 . . 2 . . . . A 27 PRO HD3 . 34732 1 171 . 1 . 1 28 28 PRO HA H 1 4.306 . . 1 . . . . A 28 PRO HA . 34732 1 172 . 1 . 1 28 28 PRO HB2 H 1 2.226 . . 2 . . . . A 28 PRO HB2 . 34732 1 173 . 1 . 1 28 28 PRO HB3 H 1 1.926 . . 2 . . . . A 28 PRO HB3 . 34732 1 174 . 1 . 1 28 28 PRO HG2 H 1 1.986 . . 2 . . . . A 28 PRO HG2 . 34732 1 175 . 1 . 1 28 28 PRO HG3 H 1 1.986 . . 2 . . . . A 28 PRO HG3 . 34732 1 176 . 1 . 1 28 28 PRO HD2 H 1 3.766 . . 2 . . . . A 28 PRO HD2 . 34732 1 177 . 1 . 1 28 28 PRO HD3 H 1 3.634 . . 2 . . . . A 28 PRO HD3 . 34732 1 stop_ save_