################################### # 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 25653 _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 1H-1H TOCSY' . . . 25653 1 2 '2D DQF-COSY' . . . 25653 1 3 '2D 1H-1H NOESY' . . . 25653 1 4 '2D 1H-13C HSQC' . . . 25653 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 PCA CA C 13 57.679 0.001 . . . . . A 1 PCA CA . 25653 1 2 . 1 1 1 1 PCA CB C 13 27.721 0.003 . . . . . A 1 PCA CB . 25653 1 3 . 1 1 1 1 PCA CG C 13 32.176 0.001 . . . . . A 1 PCA CG . 25653 1 4 . 1 1 1 1 PCA HA H 1 3.934 0.001 . . . . . A 1 PCA HA . 25653 1 5 . 1 1 1 1 PCA HB2 H 1 2.181 0.000 . . . . . A 1 PCA HB2 . 25653 1 6 . 1 1 1 1 PCA HB3 H 1 1.727 0.000 . . . . . A 1 PCA HB3 . 25653 1 7 . 1 1 1 1 PCA HG2 H 1 2.008 0.001 . . . . . A 1 PCA HG2 . 25653 1 8 . 1 1 1 1 PCA HG3 H 1 2.010 0.000 . . . . . A 1 PCA HG3 . 25653 1 9 . 1 1 2 2 TRP H H 1 8.076 0.001 . 1 . . . A 2 TRP H . 25653 1 10 . 1 1 2 2 TRP HA H 1 4.604 0.000 . 1 . . . A 2 TRP HA . 25653 1 11 . 1 1 2 2 TRP HB2 H 1 2.901 0.001 . 2 . . . A 2 TRP HB2 . 25653 1 12 . 1 1 2 2 TRP HB3 H 1 3.001 0.001 . 2 . . . A 2 TRP HB3 . 25653 1 13 . 1 1 2 2 TRP HD1 H 1 7.075 0.001 . 1 . . . A 2 TRP HD1 . 25653 1 14 . 1 1 2 2 TRP HE1 H 1 10.698 0.001 . 1 . . . A 2 TRP HE1 . 25653 1 15 . 1 1 2 2 TRP HE3 H 1 7.605 0.001 . 1 . . . A 2 TRP HE3 . 25653 1 16 . 1 1 2 2 TRP HZ2 H 1 7.323 0.002 . 1 . . . A 2 TRP HZ2 . 25653 1 17 . 1 1 2 2 TRP HZ3 H 1 6.984 0.000 . 1 . . . A 2 TRP HZ3 . 25653 1 18 . 1 1 2 2 TRP HH2 H 1 7.060 0.003 . 1 . . . A 2 TRP HH2 . 25653 1 19 . 1 1 2 2 TRP CA C 13 53.837 0.000 . 1 . . . A 2 TRP CA . 25653 1 20 . 1 1 2 2 TRP CB C 13 29.261 0.000 . 1 . . . A 2 TRP CB . 25653 1 21 . 1 1 2 2 TRP CD1 C 13 125.946 0.000 . 1 . . . A 2 TRP CD1 . 25653 1 22 . 1 1 2 2 TRP CE3 C 13 120.836 0.000 . 1 . . . A 2 TRP CE3 . 25653 1 23 . 1 1 2 2 TRP CZ2 C 13 113.476 0.000 . 1 . . . A 2 TRP CZ2 . 25653 1 24 . 1 1 2 2 TRP CZ3 C 13 120.538 0.000 . 1 . . . A 2 TRP CZ3 . 25653 1 25 . 1 1 2 2 TRP CH2 C 13 123.091 0.000 . 1 . . . A 2 TRP CH2 . 25653 1 26 . 1 1 3 3 CYS H H 1 7.762 0.001 . 1 . . . A 3 CYS H . 25653 1 27 . 1 1 3 3 CYS HA H 1 4.989 0.001 . 1 . . . A 3 CYS HA . 25653 1 28 . 1 1 3 3 CYS HB2 H 1 3.099 0.001 . 2 . . . A 3 CYS HB2 . 25653 1 29 . 1 1 3 3 CYS HB3 H 1 2.830 0.001 . 2 . . . A 3 CYS HB3 . 25653 1 30 . 1 1 3 3 CYS CA C 13 52.524 0.000 . 1 . . . A 3 CYS CA . 25653 1 31 . 1 1 3 3 CYS CB C 13 43.609 0.000 . 1 . . . A 3 CYS CB . 25653 1 32 . 1 1 4 4 ALA H H 1 9.027 0.001 . 1 . . . A 4 ALA H . 25653 1 33 . 1 1 4 4 ALA HA H 1 4.326 0.000 . 1 . . . A 4 ALA HA . 25653 1 34 . 1 1 4 4 ALA HB1 H 1 1.215 0.000 . 1 . . . A 4 ALA HB1 . 25653 1 35 . 1 1 4 4 ALA HB2 H 1 1.215 0.000 . 1 . . . A 4 ALA HB2 . 25653 1 36 . 1 1 4 4 ALA HB3 H 1 1.215 0.000 . 1 . . . A 4 ALA HB3 . 25653 1 37 . 1 1 4 4 ALA CA C 13 50.194 0.000 . 1 . . . A 4 ALA CA . 25653 1 38 . 1 1 4 4 ALA CB C 13 20.591 0.000 . 1 . . . A 4 ALA CB . 25653 1 39 . 1 1 5 5 GLU H H 1 7.583 0.001 . 1 . . . A 5 GLU H . 25653 1 40 . 1 1 5 5 GLU HA H 1 4.026 0.001 . 1 . . . A 5 GLU HA . 25653 1 41 . 1 1 5 5 GLU HB2 H 1 1.604 0.001 . 2 . . . A 5 GLU HB2 . 25653 1 42 . 1 1 5 5 GLU HB3 H 1 2.195 0.001 . 2 . . . A 5 GLU HB3 . 25653 1 43 . 1 1 5 5 GLU HG2 H 1 2.115 0.001 . 2 . . . A 5 GLU HG2 . 25653 1 44 . 1 1 5 5 GLU HG3 H 1 2.390 0.001 . 2 . . . A 5 GLU HG3 . 25653 1 45 . 1 1 5 5 GLU CA C 13 53.176 0.000 . 1 . . . A 5 GLU CA . 25653 1 46 . 1 1 5 5 GLU CB C 13 29.310 0.001 . 1 . . . A 5 GLU CB . 25653 1 47 . 1 1 5 5 GLU CG C 13 33.185 0.000 . 1 . . . A 5 GLU CG . 25653 1 48 . 1 1 6 6 GLU H H 1 8.031 0.001 . 1 . . . A 6 GLU H . 25653 1 49 . 1 1 6 6 GLU HA H 1 3.540 0.001 . 1 . . . A 6 GLU HA . 25653 1 50 . 1 1 6 6 GLU HB2 H 1 1.860 0.001 . 2 . . . A 6 GLU HB2 . 25653 1 51 . 1 1 6 6 GLU HB3 H 1 1.859 0.000 . 2 . . . A 6 GLU HB3 . 25653 1 52 . 1 1 6 6 GLU HG2 H 1 2.244 0.001 . 2 . . . A 6 GLU HG2 . 25653 1 53 . 1 1 6 6 GLU HG3 H 1 2.329 0.001 . 2 . . . A 6 GLU HG3 . 25653 1 54 . 1 1 6 6 GLU CA C 13 56.986 0.000 . 1 . . . A 6 GLU CA . 25653 1 55 . 1 1 6 6 GLU CB C 13 28.177 0.000 . 1 . . . A 6 GLU CB . 25653 1 56 . 1 1 6 6 GLU CG C 13 32.469 0.003 . 1 . . . A 6 GLU CG . 25653 1 57 . 1 1 7 7 GLY H H 1 8.854 0.000 . 1 . . . A 7 GLY H . 25653 1 58 . 1 1 7 7 GLY HA2 H 1 3.246 0.001 . 2 . . . A 7 GLY HA2 . 25653 1 59 . 1 1 7 7 GLY HA3 H 1 4.085 0.000 . 2 . . . A 7 GLY HA3 . 25653 1 60 . 1 1 7 7 GLY CA C 13 44.986 0.000 . 1 . . . A 7 GLY CA . 25653 1 61 . 1 1 8 8 GLU H H 1 7.819 0.001 . 1 . . . A 8 GLU H . 25653 1 62 . 1 1 8 8 GLU HA H 1 4.465 0.001 . 1 . . . A 8 GLU HA . 25653 1 63 . 1 1 8 8 GLU HB2 H 1 2.053 0.000 . 2 . . . A 8 GLU HB2 . 25653 1 64 . 1 1 8 8 GLU HB3 H 1 2.118 0.000 . 2 . . . A 8 GLU HB3 . 25653 1 65 . 1 1 8 8 GLU HG2 H 1 2.290 0.000 . 2 . . . A 8 GLU HG2 . 25653 1 66 . 1 1 8 8 GLU HG3 H 1 2.290 0.001 . 2 . . . A 8 GLU HG3 . 25653 1 67 . 1 1 8 8 GLU CA C 13 52.956 0.000 . 1 . . . A 8 GLU CA . 25653 1 68 . 1 1 8 8 GLU CB C 13 29.773 0.001 . 1 . . . A 8 GLU CB . 25653 1 69 . 1 1 8 8 GLU CG C 13 33.347 0.000 . 1 . . . A 8 GLU CG . 25653 1 70 . 1 1 9 9 SER H H 1 8.284 0.000 . 1 . . . A 9 SER H . 25653 1 71 . 1 1 9 9 SER HA H 1 5.080 0.000 . 1 . . . A 9 SER HA . 25653 1 72 . 1 1 9 9 SER HB2 H 1 3.701 0.001 . 2 . . . A 9 SER HB2 . 25653 1 73 . 1 1 9 9 SER HB3 H 1 3.807 0.000 . 2 . . . A 9 SER HB3 . 25653 1 74 . 1 1 9 9 SER CA C 13 56.778 0.000 . 1 . . . A 9 SER CA . 25653 1 75 . 1 1 9 9 SER CB C 13 64.205 0.000 . 1 . . . A 9 SER CB . 25653 1 76 . 1 1 10 10 CYS H H 1 7.377 0.000 . 1 . . . A 10 CYS H . 25653 1 77 . 1 1 10 10 CYS HA H 1 5.468 0.001 . 1 . . . A 10 CYS HA . 25653 1 78 . 1 1 10 10 CYS HB2 H 1 3.482 0.000 . 2 . . . A 10 CYS HB2 . 25653 1 79 . 1 1 10 10 CYS HB3 H 1 3.302 0.000 . 2 . . . A 10 CYS HB3 . 25653 1 80 . 1 1 10 10 CYS CA C 13 53.695 0.000 . 1 . . . A 10 CYS CA . 25653 1 81 . 1 1 10 10 CYS CB C 13 45.676 0.000 . 1 . . . A 10 CYS CB . 25653 1 82 . 1 1 11 11 GLU H H 1 7.544 0.001 . 1 . . . A 11 GLU H . 25653 1 83 . 1 1 11 11 GLU HA H 1 3.903 0.000 . 1 . . . A 11 GLU HA . 25653 1 84 . 1 1 11 11 GLU HB2 H 1 1.779 0.001 . 2 . . . A 11 GLU HB2 . 25653 1 85 . 1 1 11 11 GLU HB3 H 1 1.928 0.001 . 2 . . . A 11 GLU HB3 . 25653 1 86 . 1 1 11 11 GLU HG2 H 1 2.294 0.001 . 2 . . . A 11 GLU HG2 . 25653 1 87 . 1 1 11 11 GLU HG3 H 1 2.293 0.000 . 2 . . . A 11 GLU HG3 . 25653 1 88 . 1 1 11 11 GLU CA C 13 57.575 0.000 . 1 . . . A 11 GLU CA . 25653 1 89 . 1 1 11 11 GLU CB C 13 28.668 0.000 . 1 . . . A 11 GLU CB . 25653 1 90 . 1 1 11 11 GLU CG C 13 32.274 0.000 . 1 . . . A 11 GLU CG . 25653 1 91 . 1 1 12 12 VAL H H 1 7.536 0.001 . 1 . . . A 12 VAL H . 25653 1 92 . 1 1 12 12 VAL HA H 1 3.893 0.001 . 1 . . . A 12 VAL HA . 25653 1 93 . 1 1 12 12 VAL HB H 1 1.867 0.001 . 1 . . . A 12 VAL HB . 25653 1 94 . 1 1 12 12 VAL HG11 H 1 0.690 0.001 . 2 . . . A 12 VAL HG11 . 25653 1 95 . 1 1 12 12 VAL HG12 H 1 0.690 0.001 . 2 . . . A 12 VAL HG12 . 25653 1 96 . 1 1 12 12 VAL HG13 H 1 0.690 0.001 . 2 . . . A 12 VAL HG13 . 25653 1 97 . 1 1 12 12 VAL HG21 H 1 0.569 0.000 . 2 . . . A 12 VAL HG21 . 25653 1 98 . 1 1 12 12 VAL HG22 H 1 0.569 0.000 . 2 . . . A 12 VAL HG22 . 25653 1 99 . 1 1 12 12 VAL HG23 H 1 0.569 0.000 . 2 . . . A 12 VAL HG23 . 25653 1 100 . 1 1 12 12 VAL CA C 13 61.433 0.000 . 1 . . . A 12 VAL CA . 25653 1 101 . 1 1 12 12 VAL CB C 13 32.771 0.000 . 1 . . . A 12 VAL CB . 25653 1 102 . 1 1 12 12 VAL CG1 C 13 20.839 0.000 . 2 . . . A 12 VAL CG1 . 25653 1 103 . 1 1 12 12 VAL CG2 C 13 21.577 0.000 . 2 . . . A 12 VAL CG2 . 25653 1 104 . 1 1 13 13 TYR H H 1 7.213 0.001 . 1 . . . A 13 TYR H . 25653 1 105 . 1 1 13 13 TYR HA H 1 4.603 0.001 . 1 . . . A 13 TYR HA . 25653 1 106 . 1 1 13 13 TYR HB2 H 1 2.515 0.001 . 2 . . . A 13 TYR HB2 . 25653 1 107 . 1 1 13 13 TYR HB3 H 1 2.850 0.000 . 2 . . . A 13 TYR HB3 . 25653 1 108 . 1 1 13 13 TYR HD1 H 1 7.021 0.001 . 3 . . . A 13 TYR HD1 . 25653 1 109 . 1 1 13 13 TYR HD2 H 1 7.022 0.000 . 3 . . . A 13 TYR HD2 . 25653 1 110 . 1 1 13 13 TYR HE1 H 1 6.594 0.000 . 3 . . . A 13 TYR HE1 . 25653 1 111 . 1 1 13 13 TYR HE2 H 1 6.594 0.000 . 3 . . . A 13 TYR HE2 . 25653 1 112 . 1 1 13 13 TYR CA C 13 55.557 0.000 . 1 . . . A 13 TYR CA . 25653 1 113 . 1 1 13 13 TYR CB C 13 38.917 0.002 . 1 . . . A 13 TYR CB . 25653 1 114 . 1 1 13 13 TYR CD1 C 13 132.139 0.000 . 3 . . . A 13 TYR CD1 . 25653 1 115 . 1 1 13 13 TYR CD2 C 13 132.139 0.000 . 3 . . . A 13 TYR CD2 . 25653 1 116 . 1 1 13 13 TYR CE1 C 13 117.181 0.000 . 3 . . . A 13 TYR CE1 . 25653 1 117 . 1 1 13 13 TYR CE2 C 13 117.176 0.000 . 3 . . . A 13 TYR CE2 . 25653 1 118 . 1 1 14 14 PRO HA H 1 4.541 0.001 . 1 . . . A 14 PRO HA . 25653 1 119 . 1 1 14 14 PRO HB2 H 1 2.146 0.001 . 2 . . . A 14 PRO HB2 . 25653 1 120 . 1 1 14 14 PRO HB3 H 1 2.143 0.003 . 2 . . . A 14 PRO HB3 . 25653 1 121 . 1 1 14 14 PRO HG2 H 1 1.992 0.000 . 2 . . . A 14 PRO HG2 . 25653 1 122 . 1 1 14 14 PRO HG3 H 1 1.992 0.000 . 2 . . . A 14 PRO HG3 . 25653 1 123 . 1 1 14 14 PRO HD2 H 1 3.624 0.001 . 2 . . . A 14 PRO HD2 . 25653 1 124 . 1 1 14 14 PRO HD3 H 1 3.892 0.000 . 2 . . . A 14 PRO HD3 . 25653 1 125 . 1 1 14 14 PRO CA C 13 60.415 0.000 . 1 . . . A 14 PRO CA . 25653 1 126 . 1 1 14 14 PRO CB C 13 31.595 0.000 . 1 . . . A 14 PRO CB . 25653 1 127 . 1 1 14 14 PRO CG C 13 26.312 0.000 . 1 . . . A 14 PRO CG . 25653 1 128 . 1 1 14 14 PRO CD C 13 48.807 0.001 . 1 . . . A 14 PRO CD . 25653 1 129 . 1 1 15 15 CYS H H 1 8.986 0.000 . 1 . . . A 15 CYS H . 25653 1 130 . 1 1 15 15 CYS HA H 1 4.925 0.001 . 1 . . . A 15 CYS HA . 25653 1 131 . 1 1 15 15 CYS HB2 H 1 2.938 0.001 . 2 . . . A 15 CYS HB2 . 25653 1 132 . 1 1 15 15 CYS HB3 H 1 2.377 0.001 . 2 . . . A 15 CYS HB3 . 25653 1 133 . 1 1 15 15 CYS CA C 13 54.229 0.000 . 1 . . . A 15 CYS CA . 25653 1 134 . 1 1 15 15 CYS CB C 13 39.173 0.000 . 1 . . . A 15 CYS CB . 25653 1 135 . 1 1 16 16 CYS H H 1 9.018 0.000 . 1 . . . A 16 CYS H . 25653 1 136 . 1 1 16 16 CYS HA H 1 4.423 0.000 . 1 . . . A 16 CYS HA . 25653 1 137 . 1 1 16 16 CYS HB2 H 1 3.096 0.001 . 2 . . . A 16 CYS HB2 . 25653 1 138 . 1 1 16 16 CYS HB3 H 1 2.254 0.001 . 2 . . . A 16 CYS HB3 . 25653 1 139 . 1 1 16 16 CYS CA C 13 52.994 0.000 . 1 . . . A 16 CYS CA . 25653 1 140 . 1 1 16 16 CYS CB C 13 40.662 0.001 . 1 . . . A 16 CYS CB . 25653 1 141 . 1 1 17 17 ASP H H 1 9.414 0.001 . 1 . . . A 17 ASP H . 25653 1 142 . 1 1 17 17 ASP HA H 1 4.218 0.001 . 1 . . . A 17 ASP HA . 25653 1 143 . 1 1 17 17 ASP HB2 H 1 2.362 0.001 . 2 . . . A 17 ASP HB2 . 25653 1 144 . 1 1 17 17 ASP HB3 H 1 3.039 0.000 . 2 . . . A 17 ASP HB3 . 25653 1 145 . 1 1 17 17 ASP CA C 13 51.378 0.000 . 1 . . . A 17 ASP CA . 25653 1 146 . 1 1 17 17 ASP CB C 13 37.397 0.000 . 1 . . . A 17 ASP CB . 25653 1 147 . 1 1 18 18 GLY HA2 H 1 3.791 0.000 . 2 . . . A 18 GLY HA2 . 25653 1 148 . 1 1 18 18 GLY HA3 H 1 4.089 0.000 . 2 . . . A 18 GLY HA3 . 25653 1 149 . 1 1 18 18 GLY CA C 13 43.836 0.000 . 1 . . . A 18 GLY CA . 25653 1 150 . 1 1 19 19 LEU H H 1 6.878 0.001 . 1 . . . A 19 LEU H . 25653 1 151 . 1 1 19 19 LEU HA H 1 4.130 0.001 . 1 . . . A 19 LEU HA . 25653 1 152 . 1 1 19 19 LEU HB2 H 1 1.387 0.001 . 2 . . . A 19 LEU HB2 . 25653 1 153 . 1 1 19 19 LEU HB3 H 1 1.856 0.001 . 2 . . . A 19 LEU HB3 . 25653 1 154 . 1 1 19 19 LEU HG H 1 1.525 0.000 . 1 . . . A 19 LEU HG . 25653 1 155 . 1 1 19 19 LEU HD11 H 1 0.838 0.001 . 2 . . . A 19 LEU HD11 . 25653 1 156 . 1 1 19 19 LEU HD12 H 1 0.838 0.001 . 2 . . . A 19 LEU HD12 . 25653 1 157 . 1 1 19 19 LEU HD13 H 1 0.838 0.001 . 2 . . . A 19 LEU HD13 . 25653 1 158 . 1 1 19 19 LEU HD21 H 1 0.653 0.001 . 2 . . . A 19 LEU HD21 . 25653 1 159 . 1 1 19 19 LEU HD22 H 1 0.653 0.001 . 2 . . . A 19 LEU HD22 . 25653 1 160 . 1 1 19 19 LEU HD23 H 1 0.653 0.001 . 2 . . . A 19 LEU HD23 . 25653 1 161 . 1 1 19 19 LEU CA C 13 53.875 0.000 . 1 . . . A 19 LEU CA . 25653 1 162 . 1 1 19 19 LEU CB C 13 41.530 0.000 . 1 . . . A 19 LEU CB . 25653 1 163 . 1 1 19 19 LEU CG C 13 26.584 0.000 . 1 . . . A 19 LEU CG . 25653 1 164 . 1 1 19 19 LEU CD1 C 13 25.648 0.000 . 2 . . . A 19 LEU CD1 . 25653 1 165 . 1 1 19 19 LEU CD2 C 13 22.505 0.000 . 2 . . . A 19 LEU CD2 . 25653 1 166 . 1 1 20 20 ILE H H 1 8.102 0.001 . 1 . . . A 20 ILE H . 25653 1 167 . 1 1 20 20 ILE HA H 1 4.015 0.001 . 1 . . . A 20 ILE HA . 25653 1 168 . 1 1 20 20 ILE HB H 1 1.415 0.001 . 1 . . . A 20 ILE HB . 25653 1 169 . 1 1 20 20 ILE HG12 H 1 0.908 0.001 . 2 . . . A 20 ILE HG12 . 25653 1 170 . 1 1 20 20 ILE HG13 H 1 0.906 0.000 . 2 . . . A 20 ILE HG13 . 25653 1 171 . 1 1 20 20 ILE HG21 H 1 0.239 0.001 . 1 . . . A 20 ILE HG21 . 25653 1 172 . 1 1 20 20 ILE HG22 H 1 0.239 0.001 . 1 . . . A 20 ILE HG22 . 25653 1 173 . 1 1 20 20 ILE HG23 H 1 0.239 0.001 . 1 . . . A 20 ILE HG23 . 25653 1 174 . 1 1 20 20 ILE HD11 H 1 0.741 0.001 . 1 . . . A 20 ILE HD11 . 25653 1 175 . 1 1 20 20 ILE HD12 H 1 0.741 0.001 . 1 . . . A 20 ILE HD12 . 25653 1 176 . 1 1 20 20 ILE HD13 H 1 0.741 0.001 . 1 . . . A 20 ILE HD13 . 25653 1 177 . 1 1 20 20 ILE CA C 13 57.950 0.000 . 1 . . . A 20 ILE CA . 25653 1 178 . 1 1 20 20 ILE CB C 13 40.182 0.000 . 1 . . . A 20 ILE CB . 25653 1 179 . 1 1 20 20 ILE CG1 C 13 27.125 0.000 . 1 . . . A 20 ILE CG1 . 25653 1 180 . 1 1 20 20 ILE CG2 C 13 16.666 0.000 . 1 . . . A 20 ILE CG2 . 25653 1 181 . 1 1 20 20 ILE CD1 C 13 17.439 0.000 . 1 . . . A 20 ILE CD1 . 25653 1 182 . 1 1 21 21 CYS H H 1 8.516 0.001 . 1 . . . A 21 CYS H . 25653 1 183 . 1 1 21 21 CYS HA H 1 4.735 0.000 . 1 . . . A 21 CYS HA . 25653 1 184 . 1 1 21 21 CYS HB2 H 1 3.242 0.000 . 2 . . . A 21 CYS HB2 . 25653 1 185 . 1 1 21 21 CYS HB3 H 1 2.763 0.000 . 2 . . . A 21 CYS HB3 . 25653 1 186 . 1 1 21 21 CYS CA C 13 53.258 0.000 . 1 . . . A 21 CYS CA . 25653 1 187 . 1 1 21 21 CYS CB C 13 38.612 0.001 . 1 . . . A 21 CYS CB . 25653 1 188 . 1 1 22 22 TYR H H 1 8.859 0.001 . 1 . . . A 22 TYR H . 25653 1 189 . 1 1 22 22 TYR HA H 1 4.404 0.002 . 1 . . . A 22 TYR HA . 25653 1 190 . 1 1 22 22 TYR HB2 H 1 2.750 0.001 . 2 . . . A 22 TYR HB2 . 25653 1 191 . 1 1 22 22 TYR HB3 H 1 3.008 0.001 . 2 . . . A 22 TYR HB3 . 25653 1 192 . 1 1 22 22 TYR HD1 H 1 7.072 0.001 . 3 . . . A 22 TYR HD1 . 25653 1 193 . 1 1 22 22 TYR HD2 H 1 7.071 0.001 . 3 . . . A 22 TYR HD2 . 25653 1 194 . 1 1 22 22 TYR HE1 H 1 6.613 0.000 . 3 . . . A 22 TYR HE1 . 25653 1 195 . 1 1 22 22 TYR HE2 H 1 6.613 0.001 . 3 . . . A 22 TYR HE2 . 25653 1 196 . 1 1 22 22 TYR CA C 13 56.386 0.000 . 1 . . . A 22 TYR CA . 25653 1 197 . 1 1 22 22 TYR CB C 13 39.225 0.001 . 1 . . . A 22 TYR CB . 25653 1 198 . 1 1 22 22 TYR CD1 C 13 132.273 0.000 . 3 . . . A 22 TYR CD1 . 25653 1 199 . 1 1 22 22 TYR CD2 C 13 132.266 0.000 . 3 . . . A 22 TYR CD2 . 25653 1 200 . 1 1 22 22 TYR CE1 C 13 117.231 0.000 . 3 . . . A 22 TYR CE1 . 25653 1 201 . 1 1 22 22 TYR CE2 C 13 117.231 0.000 . 3 . . . A 22 TYR CE2 . 25653 1 202 . 1 1 23 23 PRO HA H 1 4.510 0.001 . 1 . . . A 23 PRO HA . 25653 1 203 . 1 1 23 23 PRO HB2 H 1 2.324 0.001 . 2 . . . A 23 PRO HB2 . 25653 1 204 . 1 1 23 23 PRO HB3 H 1 1.720 0.001 . 2 . . . A 23 PRO HB3 . 25653 1 205 . 1 1 23 23 PRO HG2 H 1 1.863 0.001 . 2 . . . A 23 PRO HG2 . 25653 1 206 . 1 1 23 23 PRO HG3 H 1 1.989 0.001 . 2 . . . A 23 PRO HG3 . 25653 1 207 . 1 1 23 23 PRO HD2 H 1 3.521 0.001 . 2 . . . A 23 PRO HD2 . 25653 1 208 . 1 1 23 23 PRO HD3 H 1 3.713 0.001 . 2 . . . A 23 PRO HD3 . 25653 1 209 . 1 1 23 23 PRO CA C 13 61.466 0.000 . 1 . . . A 23 PRO CA . 25653 1 210 . 1 1 23 23 PRO CB C 13 27.705 0.002 . 1 . . . A 23 PRO CB . 25653 1 211 . 1 1 23 23 PRO CG C 13 26.999 0.001 . 1 . . . A 23 PRO CG . 25653 1 212 . 1 1 23 23 PRO CD C 13 49.513 0.001 . 1 . . . A 23 PRO CD . 25653 1 213 . 1 1 24 24 THR H H 1 7.959 0.001 . 1 . . . A 24 THR H . 25653 1 214 . 1 1 24 24 THR HA H 1 4.994 0.001 . 1 . . . A 24 THR HA . 25653 1 215 . 1 1 24 24 THR HB H 1 4.128 0.001 . 1 . . . A 24 THR HB . 25653 1 216 . 1 1 24 24 THR HG21 H 1 1.073 0.001 . 1 . . . A 24 THR HG21 . 25653 1 217 . 1 1 24 24 THR HG22 H 1 1.073 0.001 . 1 . . . A 24 THR HG22 . 25653 1 218 . 1 1 24 24 THR HG23 H 1 1.073 0.001 . 1 . . . A 24 THR HG23 . 25653 1 219 . 1 1 24 24 THR CA C 13 60.198 0.000 . 1 . . . A 24 THR CA . 25653 1 220 . 1 1 24 24 THR CB C 13 68.850 0.000 . 1 . . . A 24 THR CB . 25653 1 221 . 1 1 24 24 THR CG2 C 13 22.387 0.000 . 1 . . . A 24 THR CG2 . 25653 1 222 . 1 1 25 25 PHE H H 1 8.297 0.001 . 1 . . . A 25 PHE H . 25653 1 223 . 1 1 25 25 PHE HA H 1 4.594 0.001 . 1 . . . A 25 PHE HA . 25653 1 224 . 1 1 25 25 PHE HB2 H 1 2.756 0.000 . 2 . . . A 25 PHE HB2 . 25653 1 225 . 1 1 25 25 PHE HB3 H 1 2.871 0.000 . 2 . . . A 25 PHE HB3 . 25653 1 226 . 1 1 25 25 PHE HD1 H 1 7.199 0.000 . 3 . . . A 25 PHE HD1 . 25653 1 227 . 1 1 25 25 PHE HD2 H 1 7.199 0.000 . 3 . . . A 25 PHE HD2 . 25653 1 228 . 1 1 25 25 PHE HE1 H 1 7.311 0.000 . 3 . . . A 25 PHE HE1 . 25653 1 229 . 1 1 25 25 PHE HE2 H 1 7.311 0.000 . 3 . . . A 25 PHE HE2 . 25653 1 230 . 1 1 25 25 PHE HZ H 1 7.264 0.000 . 1 . . . A 25 PHE HZ . 25653 1 231 . 1 1 25 25 PHE CA C 13 53.270 0.000 . 1 . . . A 25 PHE CA . 25653 1 232 . 1 1 25 25 PHE CB C 13 41.647 0.001 . 1 . . . A 25 PHE CB . 25653 1 233 . 1 1 25 25 PHE CD1 C 13 131.533 0.000 . 3 . . . A 25 PHE CD1 . 25653 1 234 . 1 1 25 25 PHE CD2 C 13 131.533 0.000 . 3 . . . A 25 PHE CD2 . 25653 1 235 . 1 1 25 25 PHE CE1 C 13 130.728 0.000 . 3 . . . A 25 PHE CE1 . 25653 1 236 . 1 1 25 25 PHE CE2 C 13 130.730 0.000 . 3 . . . A 25 PHE CE2 . 25653 1 237 . 1 1 25 25 PHE CZ C 13 129.103 0.000 . 1 . . . A 25 PHE CZ . 25653 1 238 . 1 1 26 26 PRO HA H 1 3.626 0.001 . 1 . . . A 26 PRO HA . 25653 1 239 . 1 1 26 26 PRO HB2 H 1 1.777 0.000 . 2 . . . A 26 PRO HB2 . 25653 1 240 . 1 1 26 26 PRO HB3 H 1 1.560 0.000 . 2 . . . A 26 PRO HB3 . 25653 1 241 . 1 1 26 26 PRO HG2 H 1 1.638 0.001 . 2 . . . A 26 PRO HG2 . 25653 1 242 . 1 1 26 26 PRO HG3 H 1 1.639 0.000 . 2 . . . A 26 PRO HG3 . 25653 1 243 . 1 1 26 26 PRO HD2 H 1 3.289 0.000 . 2 . . . A 26 PRO HD2 . 25653 1 244 . 1 1 26 26 PRO HD3 H 1 3.289 0.000 . 2 . . . A 26 PRO HD3 . 25653 1 245 . 1 1 26 26 PRO CA C 13 62.856 0.000 . 1 . . . A 26 PRO CA . 25653 1 246 . 1 1 26 26 PRO CB C 13 33.648 0.000 . 1 . . . A 26 PRO CB . 25653 1 247 . 1 1 26 26 PRO CG C 13 24.162 0.000 . 1 . . . A 26 PRO CG . 25653 1 248 . 1 1 26 26 PRO CD C 13 48.809 0.000 . 1 . . . A 26 PRO CD . 25653 1 249 . 1 1 27 27 GLU H H 1 7.227 0.001 . 1 . . . A 27 GLU H . 25653 1 250 . 1 1 27 27 GLU HA H 1 4.744 0.001 . 1 . . . A 27 GLU HA . 25653 1 251 . 1 1 27 27 GLU HB2 H 1 1.733 0.000 . 2 . . . A 27 GLU HB2 . 25653 1 252 . 1 1 27 27 GLU HB3 H 1 1.955 0.001 . 2 . . . A 27 GLU HB3 . 25653 1 253 . 1 1 27 27 GLU HG2 H 1 2.165 0.000 . 2 . . . A 27 GLU HG2 . 25653 1 254 . 1 1 27 27 GLU HG3 H 1 2.165 0.000 . 2 . . . A 27 GLU HG3 . 25653 1 255 . 1 1 27 27 GLU CA C 13 51.119 0.000 . 1 . . . A 27 GLU CA . 25653 1 256 . 1 1 27 27 GLU CB C 13 28.919 0.000 . 1 . . . A 27 GLU CB . 25653 1 257 . 1 1 27 27 GLU CG C 13 31.676 0.000 . 1 . . . A 27 GLU CG . 25653 1 258 . 1 1 28 28 PRO HA H 1 4.897 0.001 . 1 . . . A 28 PRO HA . 25653 1 259 . 1 1 28 28 PRO HB2 H 1 2.120 0.000 . 2 . . . A 28 PRO HB2 . 25653 1 260 . 1 1 28 28 PRO HB3 H 1 1.997 0.002 . 2 . . . A 28 PRO HB3 . 25653 1 261 . 1 1 28 28 PRO HG2 H 1 1.778 0.000 . 2 . . . A 28 PRO HG2 . 25653 1 262 . 1 1 28 28 PRO HG3 H 1 1.897 0.001 . 2 . . . A 28 PRO HG3 . 25653 1 263 . 1 1 28 28 PRO HD2 H 1 3.617 0.000 . 2 . . . A 28 PRO HD2 . 25653 1 264 . 1 1 28 28 PRO HD3 H 1 3.660 0.001 . 2 . . . A 28 PRO HD3 . 25653 1 265 . 1 1 28 28 PRO CA C 13 62.335 0.000 . 1 . . . A 28 PRO CA . 25653 1 266 . 1 1 28 28 PRO CB C 13 32.209 0.001 . 1 . . . A 28 PRO CB . 25653 1 267 . 1 1 28 28 PRO CG C 13 26.117 0.000 . 1 . . . A 28 PRO CG . 25653 1 268 . 1 1 28 28 PRO CD C 13 49.948 0.001 . 1 . . . A 28 PRO CD . 25653 1 269 . 1 1 29 29 ILE H H 1 7.717 0.001 . 1 . . . A 29 ILE H . 25653 1 270 . 1 1 29 29 ILE HA H 1 4.901 0.002 . 1 . . . A 29 ILE HA . 25653 1 271 . 1 1 29 29 ILE HB H 1 1.507 0.001 . 1 . . . A 29 ILE HB . 25653 1 272 . 1 1 29 29 ILE HG12 H 1 1.321 0.000 . 2 . . . A 29 ILE HG12 . 25653 1 273 . 1 1 29 29 ILE HG13 H 1 1.321 0.000 . 2 . . . A 29 ILE HG13 . 25653 1 274 . 1 1 29 29 ILE HG21 H 1 0.736 0.001 . 1 . . . A 29 ILE HG21 . 25653 1 275 . 1 1 29 29 ILE HG22 H 1 0.736 0.001 . 1 . . . A 29 ILE HG22 . 25653 1 276 . 1 1 29 29 ILE HG23 H 1 0.736 0.001 . 1 . . . A 29 ILE HG23 . 25653 1 277 . 1 1 29 29 ILE HD11 H 1 0.674 0.001 . 1 . . . A 29 ILE HD11 . 25653 1 278 . 1 1 29 29 ILE HD12 H 1 0.674 0.001 . 1 . . . A 29 ILE HD12 . 25653 1 279 . 1 1 29 29 ILE HD13 H 1 0.674 0.001 . 1 . . . A 29 ILE HD13 . 25653 1 280 . 1 1 29 29 ILE CA C 13 57.862 0.000 . 1 . . . A 29 ILE CA . 25653 1 281 . 1 1 29 29 ILE CB C 13 42.462 0.000 . 1 . . . A 29 ILE CB . 25653 1 282 . 1 1 29 29 ILE CG1 C 13 25.262 0.000 . 1 . . . A 29 ILE CG1 . 25653 1 283 . 1 1 29 29 ILE CG2 C 13 13.353 0.000 . 1 . . . A 29 ILE CG2 . 25653 1 284 . 1 1 29 29 ILE CD1 C 13 13.117 0.000 . 1 . . . A 29 ILE CD1 . 25653 1 285 . 1 1 30 30 CYS H H 1 8.439 0.001 . 1 . . . A 30 CYS H . 25653 1 286 . 1 1 30 30 CYS HA H 1 5.485 0.000 . 1 . . . A 30 CYS HA . 25653 1 287 . 1 1 30 30 CYS HB2 H 1 3.128 0.000 . 2 . . . A 30 CYS HB2 . 25653 1 288 . 1 1 30 30 CYS HB3 H 1 2.551 0.001 . 2 . . . A 30 CYS HB3 . 25653 1 289 . 1 1 30 30 CYS CA C 13 54.566 0.000 . 1 . . . A 30 CYS CA . 25653 1 290 . 1 1 30 30 CYS CB C 13 40.404 0.001 . 1 . . . A 30 CYS CB . 25653 1 291 . 1 1 31 31 GLY H H 1 9.902 0.001 . 1 . . . A 31 GLY H . 25653 1 292 . 1 1 31 31 GLY HA2 H 1 3.940 0.001 . 2 . . . A 31 GLY HA2 . 25653 1 293 . 1 1 31 31 GLY HA3 H 1 4.496 0.001 . 2 . . . A 31 GLY HA3 . 25653 1 294 . 1 1 31 31 GLY CA C 13 44.788 0.001 . 1 . . . A 31 GLY CA . 25653 1 295 . 1 1 32 32 VAL H H 1 8.216 0.001 . 1 . . . A 32 VAL H . 25653 1 296 . 1 1 32 32 VAL HA H 1 4.355 0.001 . 1 . . . A 32 VAL HA . 25653 1 297 . 1 1 32 32 VAL HB H 1 2.203 0.001 . 1 . . . A 32 VAL HB . 25653 1 298 . 1 1 32 32 VAL HG11 H 1 0.893 0.001 . 2 . . . A 32 VAL HG11 . 25653 1 299 . 1 1 32 32 VAL HG12 H 1 0.893 0.001 . 2 . . . A 32 VAL HG12 . 25653 1 300 . 1 1 32 32 VAL HG13 H 1 0.893 0.001 . 2 . . . A 32 VAL HG13 . 25653 1 301 . 1 1 32 32 VAL HG21 H 1 0.893 0.000 . 2 . . . A 32 VAL HG21 . 25653 1 302 . 1 1 32 32 VAL HG22 H 1 0.893 0.000 . 2 . . . A 32 VAL HG22 . 25653 1 303 . 1 1 32 32 VAL HG23 H 1 0.893 0.000 . 2 . . . A 32 VAL HG23 . 25653 1 304 . 1 1 32 32 VAL CA C 13 60.142 0.000 . 1 . . . A 32 VAL CA . 25653 1 305 . 1 1 32 32 VAL CB C 13 29.421 0.000 . 1 . . . A 32 VAL CB . 25653 1 306 . 1 1 32 32 VAL CG1 C 13 21.547 0.000 . 2 . . . A 32 VAL CG1 . 25653 1 307 . 1 1 32 32 VAL CG2 C 13 19.870 0.000 . 2 . . . A 32 VAL CG2 . 25653 1 stop_ save_