################################### # 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 25297 _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 DQF-COSY' . . . 25297 1 2 '2D 1H-1H NOESY' . . . 25297 1 3 '2D 1H-1H TOCSY' . . . 25297 1 4 '2D 1H-13C HSQC' . . . 25297 1 5 '2D 1H-13C HMBC' . . . 25297 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 SER HA H 1 4.138 0.001 . 1 . . . A 1 SER HA . 25297 1 2 . 1 1 1 1 SER HB2 H 1 3.839 0.002 . 2 . . . A 1 SER HB2 . 25297 1 3 . 1 1 1 1 SER HB3 H 1 4.262 0.002 . 2 . . . A 1 SER HB3 . 25297 1 4 . 1 1 1 1 SER CA C 13 56.2 . . 1 . . . A 1 SER CA . 25297 1 5 . 1 1 2 2 LEU H H 1 8.056 0.001 . 1 . . . A 2 LEU H . 25297 1 6 . 1 1 2 2 LEU HA H 1 3.737 0.002 . 1 . . . A 2 LEU HA . 25297 1 7 . 1 1 2 2 LEU HB2 H 1 1.75 . . 2 . . . A 2 LEU HB2 . 25297 1 8 . 1 1 2 2 LEU HB3 H 1 2.25 0.001 . 2 . . . A 2 LEU HB3 . 25297 1 9 . 1 1 2 2 LEU HG H 1 1.733 0.002 . 1 . . . A 2 LEU HG . 25297 1 10 . 1 1 2 2 LEU HD11 H 1 1.056 0.031 . 2 . . . A 2 LEU HD11 . 25297 1 11 . 1 1 2 2 LEU HD12 H 1 1.056 0.031 . 2 . . . A 2 LEU HD12 . 25297 1 12 . 1 1 2 2 LEU HD13 H 1 1.056 0.031 . 2 . . . A 2 LEU HD13 . 25297 1 13 . 1 1 2 2 LEU HD21 H 1 0.877 0.002 . 2 . . . A 2 LEU HD21 . 25297 1 14 . 1 1 2 2 LEU HD22 H 1 0.877 0.002 . 2 . . . A 2 LEU HD22 . 25297 1 15 . 1 1 2 2 LEU HD23 H 1 0.877 0.002 . 2 . . . A 2 LEU HD23 . 25297 1 16 . 1 1 2 2 LEU CA C 13 54.6 . . 1 . . . A 2 LEU CA . 25297 1 17 . 1 1 3 3 GLY H H 1 8.323 0.003 . 1 . . . A 3 GLY H . 25297 1 18 . 1 1 3 3 GLY HA2 H 1 3.357 0.006 . 2 . . . A 3 GLY HA2 . 25297 1 19 . 1 1 3 3 GLY HA3 H 1 4.709 0.007 . 2 . . . A 3 GLY HA3 . 25297 1 20 . 1 1 3 3 GLY CA C 13 41.6 . . 1 . . . A 3 GLY CA . 25297 1 21 . 1 1 4 4 SER H H 1 7.675 0.005 . 1 . . . A 4 SER H . 25297 1 22 . 1 1 4 4 SER HA H 1 4.558 0.002 . 1 . . . A 4 SER HA . 25297 1 23 . 1 1 4 4 SER HB2 H 1 3.694 0.006 . 2 . . . A 4 SER HB2 . 25297 1 24 . 1 1 4 4 SER HB3 H 1 3.974 0.001 . 2 . . . A 4 SER HB3 . 25297 1 25 . 1 1 4 4 SER CA C 13 54.5 . . 1 . . . A 4 SER CA . 25297 1 26 . 1 1 5 5 SER H H 1 8.171 0.004 . 1 . . . A 5 SER H . 25297 1 27 . 1 1 5 5 SER HA H 1 4.558 0.002 . 1 . . . A 5 SER HA . 25297 1 28 . 1 1 5 5 SER HB2 H 1 3.967 0.004 . 2 . . . A 5 SER HB2 . 25297 1 29 . 1 1 5 5 SER HB3 H 1 4.04 0.005 . 2 . . . A 5 SER HB3 . 25297 1 30 . 1 1 5 5 SER CA C 13 55.2 . . 1 . . . A 5 SER CA . 25297 1 31 . 1 1 6 6 PRO HA H 1 4.369 0.001 . 1 . . . A 6 PRO HA . 25297 1 32 . 1 1 6 6 PRO HB2 H 1 1.757 0.007 . 2 . . . A 6 PRO HB2 . 25297 1 33 . 1 1 6 6 PRO HB3 H 1 1.987 0 . 2 . . . A 6 PRO HB3 . 25297 1 34 . 1 1 6 6 PRO HG2 H 1 1.65 0.009 . 2 . . . A 6 PRO HG2 . 25297 1 35 . 1 1 6 6 PRO HG3 H 1 1.858 0.004 . 2 . . . A 6 PRO HG3 . 25297 1 36 . 1 1 6 6 PRO HD2 H 1 3.669 0.003 . 2 . . . A 6 PRO HD2 . 25297 1 37 . 1 1 6 6 PRO HD3 H 1 3.737 0.005 . 2 . . . A 6 PRO HD3 . 25297 1 38 . 1 1 6 6 PRO CA C 13 60.6 . . 1 . . . A 6 PRO CA . 25297 1 39 . 1 1 7 7 TYR H H 1 7.656 0.002 . 1 . . . A 7 TYR H . 25297 1 40 . 1 1 7 7 TYR HA H 1 4.533 0.004 . 1 . . . A 7 TYR HA . 25297 1 41 . 1 1 7 7 TYR HB2 H 1 2.666 0.003 . 2 . . . A 7 TYR HB2 . 25297 1 42 . 1 1 7 7 TYR HB3 H 1 2.955 0.003 . 2 . . . A 7 TYR HB3 . 25297 1 43 . 1 1 7 7 TYR HD1 H 1 6.928 0.002 . . . . . A 7 TYR HD1 . 25297 1 44 . 1 1 7 7 TYR HD2 H 1 6.928 0.002 . . . . . A 7 TYR HD2 . 25297 1 45 . 1 1 7 7 TYR HE1 H 1 6.928 0.002 . . . . . A 7 TYR HE1 . 25297 1 46 . 1 1 7 7 TYR HE2 H 1 6.634 0.004 . . . . . A 7 TYR HE2 . 25297 1 47 . 1 1 7 7 TYR CA C 13 53.4 . . 1 . . . A 7 TYR CA . 25297 1 48 . 1 1 8 8 ASN H H 1 8.524 0.006 . 1 . . . A 8 ASN H . 25297 1 49 . 1 1 8 8 ASN HA H 1 5.049 0.002 . 1 . . . A 8 ASN HA . 25297 1 50 . 1 1 8 8 ASN HB2 H 1 2.502 0.001 . 2 . . . A 8 ASN HB2 . 25297 1 51 . 1 1 8 8 ASN HB3 H 1 2.728 0.004 . 2 . . . A 8 ASN HB3 . 25297 1 52 . 1 1 8 8 ASN HD21 H 1 6.309 0.001 . 2 . . . A 8 ASN HD21 . 25297 1 53 . 1 1 8 8 ASN HD22 H 1 7.136 0.001 . 2 . . . A 8 ASN HD22 . 25297 1 54 . 1 1 8 8 ASN CA C 13 50 . . 1 . . . A 8 ASN CA . 25297 1 55 . 1 1 9 9 ASP H H 1 8.888 0.001 . 1 . . . A 9 ASP H . 25297 1 56 . 1 1 9 9 ASP HA H 1 4.844 . . 1 . . . A 9 ASP HA . 25297 1 57 . 1 1 9 9 ASP HB2 H 1 2.992 0.001 . 2 . . . A 9 ASP HB2 . 25297 1 58 . 1 1 9 9 ASP HB3 H 1 3.667 0.004 . 2 . . . A 9 ASP HB3 . 25297 1 59 . 1 1 9 9 ASP CA C 13 48.5 . . 1 . . . A 9 ASP CA . 25297 1 60 . 1 1 10 10 ILE H H 1 8.23 0.004 . 1 . . . A 10 ILE H . 25297 1 61 . 1 1 10 10 ILE HA H 1 4.051 0.002 . 1 . . . A 10 ILE HA . 25297 1 62 . 1 1 10 10 ILE HB H 1 1.994 0.002 . 1 . . . A 10 ILE HB . 25297 1 63 . 1 1 10 10 ILE HG12 H 1 1.436 0.002 . 2 . . . A 10 ILE HG12 . 25297 1 64 . 1 1 10 10 ILE HG13 H 1 1.587 0.002 . 2 . . . A 10 ILE HG13 . 25297 1 65 . 1 1 10 10 ILE HG21 H 1 1.05 0 . 1 . . . A 10 ILE HG21 . 25297 1 66 . 1 1 10 10 ILE HG22 H 1 1.05 0 . 1 . . . A 10 ILE HG22 . 25297 1 67 . 1 1 10 10 ILE HG23 H 1 1.05 0 . 1 . . . A 10 ILE HG23 . 25297 1 68 . 1 1 10 10 ILE HD11 H 1 0.98 0 . 1 . . . A 10 ILE HD11 . 25297 1 69 . 1 1 10 10 ILE HD12 H 1 0.98 0 . 1 . . . A 10 ILE HD12 . 25297 1 70 . 1 1 10 10 ILE HD13 H 1 0.98 0 . 1 . . . A 10 ILE HD13 . 25297 1 71 . 1 1 10 10 ILE CA C 13 60.3 . . 1 . . . A 10 ILE CA . 25297 1 72 . 1 1 11 11 LEU H H 1 7.283 0.002 . 1 . . . A 11 LEU H . 25297 1 73 . 1 1 11 11 LEU HA H 1 4.522 0.001 . 1 . . . A 11 LEU HA . 25297 1 74 . 1 1 11 11 LEU HB2 H 1 1.801 0.002 . 2 . . . A 11 LEU HB2 . 25297 1 75 . 1 1 11 11 LEU HB3 H 1 1.935 0.003 . 2 . . . A 11 LEU HB3 . 25297 1 76 . 1 1 11 11 LEU HG H 1 1.735 0.004 . 1 . . . A 11 LEU HG . 25297 1 77 . 1 1 11 11 LEU HD11 H 1 1.041 0.004 . 2 . . . A 11 LEU HD11 . 25297 1 78 . 1 1 11 11 LEU HD12 H 1 1.041 0.004 . 2 . . . A 11 LEU HD12 . 25297 1 79 . 1 1 11 11 LEU HD13 H 1 1.041 0.004 . 2 . . . A 11 LEU HD13 . 25297 1 80 . 1 1 11 11 LEU HD21 H 1 0.94 0.002 . 2 . . . A 11 LEU HD21 . 25297 1 81 . 1 1 11 11 LEU HD22 H 1 0.94 0.002 . 2 . . . A 11 LEU HD22 . 25297 1 82 . 1 1 11 11 LEU HD23 H 1 0.94 0.002 . 2 . . . A 11 LEU HD23 . 25297 1 83 . 1 1 11 11 LEU CA C 13 51.8 . . 1 . . . A 11 LEU CA . 25297 1 84 . 1 1 12 12 GLY H H 1 8.394 0.003 . 1 . . . A 12 GLY H . 25297 1 85 . 1 1 12 12 GLY HA2 H 1 3.473 0.006 . 2 . . . A 12 GLY HA2 . 25297 1 86 . 1 1 12 12 GLY HA3 H 1 4.075 0.001 . 2 . . . A 12 GLY HA3 . 25297 1 87 . 1 1 12 12 GLY CA C 13 42.3 . . 1 . . . A 12 GLY CA . 25297 1 88 . 1 1 13 13 TYR H H 1 6.984 0.008 . 1 . . . A 13 TYR H . 25297 1 89 . 1 1 13 13 TYR HA H 1 4.833 . . 1 . . . A 13 TYR HA . 25297 1 90 . 1 1 13 13 TYR HB2 H 1 2.449 0.001 . 2 . . . A 13 TYR HB2 . 25297 1 91 . 1 1 13 13 TYR HB3 H 1 3.222 0.001 . 2 . . . A 13 TYR HB3 . 25297 1 92 . 1 1 13 13 TYR HD1 H 1 6.999 0.002 . . . . . A 13 TYR HD1 . 25297 1 93 . 1 1 13 13 TYR HD2 H 1 6.999 0.002 . . . . . A 13 TYR HD2 . 25297 1 94 . 1 1 13 13 TYR HE1 H 1 6.703 0.001 . . . . . A 13 TYR HE1 . 25297 1 95 . 1 1 13 13 TYR HE2 H 1 6.703 0.001 . . . . . A 13 TYR HE2 . 25297 1 96 . 1 1 13 13 TYR CA C 13 52.9 . . 1 . . . A 13 TYR CA . 25297 1 97 . 1 1 14 14 PRO HA H 1 4.312 0.001 . 1 . . . A 14 PRO HA . 25297 1 98 . 1 1 14 14 PRO HB2 H 1 1.868 0.003 . 2 . . . A 14 PRO HB2 . 25297 1 99 . 1 1 14 14 PRO HB3 H 1 2.646 0.001 . 2 . . . A 14 PRO HB3 . 25297 1 100 . 1 1 14 14 PRO HG2 H 1 1.969 0 . 2 . . . A 14 PRO HG2 . 25297 1 101 . 1 1 14 14 PRO HG3 H 1 1.969 0 . 2 . . . A 14 PRO HG3 . 25297 1 102 . 1 1 14 14 PRO HD2 H 1 3.577 0.001 . 2 . . . A 14 PRO HD2 . 25297 1 103 . 1 1 14 14 PRO HD3 H 1 3.779 0.001 . 2 . . . A 14 PRO HD3 . 25297 1 104 . 1 1 14 14 PRO CA C 13 62 . . 1 . . . A 14 PRO CA . 25297 1 105 . 1 1 15 15 ALA H H 1 8.566 0.001 . 1 . . . A 15 ALA H . 25297 1 106 . 1 1 15 15 ALA HA H 1 4.197 0.004 . 1 . . . A 15 ALA HA . 25297 1 107 . 1 1 15 15 ALA HB1 H 1 1.357 0.005 . 1 . . . A 15 ALA HB1 . 25297 1 108 . 1 1 15 15 ALA HB2 H 1 1.357 0.005 . 1 . . . A 15 ALA HB2 . 25297 1 109 . 1 1 15 15 ALA HB3 H 1 1.357 0.005 . 1 . . . A 15 ALA HB3 . 25297 1 110 . 1 1 15 15 ALA CA C 13 49.8 . . 1 . . . A 15 ALA CA . 25297 1 111 . 1 1 16 16 LEU H H 1 8.202 0.007 . 1 . . . A 16 LEU H . 25297 1 112 . 1 1 16 16 LEU HA H 1 4.559 0.005 . 1 . . . A 16 LEU HA . 25297 1 113 . 1 1 16 16 LEU HB2 H 1 1.596 0.008 . 2 . . . A 16 LEU HB2 . 25297 1 114 . 1 1 16 16 LEU HB3 H 1 1.826 0.008 . 2 . . . A 16 LEU HB3 . 25297 1 115 . 1 1 16 16 LEU HG H 1 1.726 0.003 . 1 . . . A 16 LEU HG . 25297 1 116 . 1 1 16 16 LEU HD11 H 1 1.015 0.008 . 2 . . . A 16 LEU HD11 . 25297 1 117 . 1 1 16 16 LEU HD12 H 1 1.015 0.008 . 2 . . . A 16 LEU HD12 . 25297 1 118 . 1 1 16 16 LEU HD13 H 1 1.015 0.008 . 2 . . . A 16 LEU HD13 . 25297 1 119 . 1 1 16 16 LEU HD21 H 1 0.926 0.007 . 2 . . . A 16 LEU HD21 . 25297 1 120 . 1 1 16 16 LEU HD22 H 1 0.926 0.007 . 2 . . . A 16 LEU HD22 . 25297 1 121 . 1 1 16 16 LEU HD23 H 1 0.926 0.007 . 2 . . . A 16 LEU HD23 . 25297 1 122 . 1 1 16 16 LEU CA C 13 52.4 . . 1 . . . A 16 LEU CA . 25297 1 123 . 1 1 17 17 ILE H H 1 7.656 0.005 . 1 . . . A 17 ILE H . 25297 1 124 . 1 1 17 17 ILE HA H 1 4.236 0.013 . 1 . . . A 17 ILE HA . 25297 1 125 . 1 1 17 17 ILE HB H 1 1.898 0 . 1 . . . A 17 ILE HB . 25297 1 126 . 1 1 17 17 ILE HG12 H 1 1.171 0.005 . 2 . . . A 17 ILE HG12 . 25297 1 127 . 1 1 17 17 ILE HG13 H 1 1.592 0.005 . 2 . . . A 17 ILE HG13 . 25297 1 128 . 1 1 17 17 ILE HG21 H 1 0.915 0.006 . 1 . . . A 17 ILE HG21 . 25297 1 129 . 1 1 17 17 ILE HG22 H 1 0.915 0.006 . 1 . . . A 17 ILE HG22 . 25297 1 130 . 1 1 17 17 ILE HG23 H 1 0.915 0.006 . 1 . . . A 17 ILE HG23 . 25297 1 131 . 1 1 17 17 ILE HD11 H 1 0.91 . . 1 . . . A 17 ILE HD11 . 25297 1 132 . 1 1 17 17 ILE HD12 H 1 0.91 . . 1 . . . A 17 ILE HD12 . 25297 1 133 . 1 1 17 17 ILE HD13 H 1 0.91 . . 1 . . . A 17 ILE HD13 . 25297 1 134 . 1 1 17 17 ILE CA C 13 57.9 . . 1 . . . A 17 ILE CA . 25297 1 135 . 1 1 18 18 VAL H H 1 8.329 0.006 . 1 . . . A 18 VAL H . 25297 1 136 . 1 1 18 18 VAL HA H 1 4.191 0.001 . 1 . . . A 18 VAL HA . 25297 1 137 . 1 1 18 18 VAL HB H 1 2.012 0.002 . 1 . . . A 18 VAL HB . 25297 1 138 . 1 1 18 18 VAL HG11 H 1 0.912 0.001 . 2 . . . A 18 VAL HG11 . 25297 1 139 . 1 1 18 18 VAL HG12 H 1 0.912 0.001 . 2 . . . A 18 VAL HG12 . 25297 1 140 . 1 1 18 18 VAL HG13 H 1 0.912 0.001 . 2 . . . A 18 VAL HG13 . 25297 1 141 . 1 1 18 18 VAL HG21 H 1 0.809 0.002 . 2 . . . A 18 VAL HG21 . 25297 1 142 . 1 1 18 18 VAL HG22 H 1 0.809 0.002 . 2 . . . A 18 VAL HG22 . 25297 1 143 . 1 1 18 18 VAL HG23 H 1 0.809 0.002 . 2 . . . A 18 VAL HG23 . 25297 1 144 . 1 1 18 18 VAL CA C 13 58.7 . . 1 . . . A 18 VAL CA . 25297 1 145 . 1 1 19 19 ILE H H 1 8.058 . . 1 . . . A 19 ILE H . 25297 1 146 . 1 1 19 19 ILE HA H 1 4.25 . . 1 . . . A 19 ILE HA . 25297 1 147 . 1 1 19 19 ILE HB H 1 1.447 . . 1 . . . A 19 ILE HB . 25297 1 148 . 1 1 19 19 ILE HG12 H 1 1.109 . . 2 . . . A 19 ILE HG12 . 25297 1 149 . 1 1 19 19 ILE HG13 H 1 1.445 0.002 . 2 . . . A 19 ILE HG13 . 25297 1 150 . 1 1 19 19 ILE HG21 H 1 0.91 . . 1 . . . A 19 ILE HG21 . 25297 1 151 . 1 1 19 19 ILE HG22 H 1 0.91 . . 1 . . . A 19 ILE HG22 . 25297 1 152 . 1 1 19 19 ILE HG23 H 1 0.91 . . 1 . . . A 19 ILE HG23 . 25297 1 153 . 1 1 19 19 ILE HD11 H 1 0.829 . . 1 . . . A 19 ILE HD11 . 25297 1 154 . 1 1 19 19 ILE HD12 H 1 0.829 . . 1 . . . A 19 ILE HD12 . 25297 1 155 . 1 1 19 19 ILE HD13 H 1 0.829 . . 1 . . . A 19 ILE HD13 . 25297 1 156 . 1 1 19 19 ILE CA C 13 57.8 . . 1 . . . A 19 ILE CA . 25297 1 157 . 1 1 20 20 TYR H H 1 8.154 0.023 . 1 . . . A 20 TYR H . 25297 1 158 . 1 1 20 20 TYR HA H 1 4.77 . . 1 . . . A 20 TYR HA . 25297 1 159 . 1 1 20 20 TYR HB2 H 1 2.82 0.003 . 2 . . . A 20 TYR HB2 . 25297 1 160 . 1 1 20 20 TYR HB3 H 1 3.053 0 . 2 . . . A 20 TYR HB3 . 25297 1 161 . 1 1 20 20 TYR HD1 H 1 7.086 0.002 . . . . . A 20 TYR HD1 . 25297 1 162 . 1 1 20 20 TYR HD2 H 1 7.086 0.002 . . . . . A 20 TYR HD2 . 25297 1 163 . 1 1 20 20 TYR HE1 H 1 6.672 0.002 . . . . . A 20 TYR HE1 . 25297 1 164 . 1 1 20 20 TYR HE2 H 1 6.672 0.002 . . . . . A 20 TYR HE2 . 25297 1 165 . 1 1 20 20 TYR CA C 13 52.8 . . 1 . . . A 20 TYR CA . 25297 1 166 . 1 1 21 21 PRO HA H 1 4.385 0.001 . 1 . . . A 21 PRO HA . 25297 1 167 . 1 1 21 21 PRO HB2 H 1 2.002 0.008 . 2 . . . A 21 PRO HB2 . 25297 1 168 . 1 1 21 21 PRO HB3 H 1 2.19 0.003 . 2 . . . A 21 PRO HB3 . 25297 1 169 . 1 1 21 21 PRO HG2 H 1 1.96 . . 2 . . . A 21 PRO HG2 . 25297 1 170 . 1 1 21 21 PRO HG3 H 1 1.96 . . 2 . . . A 21 PRO HG3 . 25297 1 171 . 1 1 21 21 PRO HD2 H 1 3.418 . . 2 . . . A 21 PRO HD2 . 25297 1 172 . 1 1 21 21 PRO HD3 H 1 3.745 . . 2 . . . A 21 PRO HD3 . 25297 1 173 . 1 1 21 21 PRO CA C 13 59.1 . . 1 . . . A 21 PRO CA . 25297 1 stop_ save_