################################### # 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 16960 _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 3 NOESY . . . 16960 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 3 3 GLU H H 1 8.812 0.000 . 1 . . . . 3 GLU H . 16960 1 2 . 1 1 3 3 GLU HA H 1 4.730 0.000 . 1 . . . . 3 GLU HA . 16960 1 3 . 1 1 3 3 GLU HB2 H 1 2.319 0.000 . 1 . . . . 3 GLU HB2 . 16960 1 4 . 1 1 3 3 GLU HB3 H 1 2.237 0.000 . 1 . . . . 3 GLU HB3 . 16960 1 5 . 1 1 3 3 GLU HG2 H 1 2.703 0.000 . 2 . . . . 3 GLU HG2 . 16960 1 6 . 1 1 4 4 CYS H H 1 8.269 0.001 . 1 . . . . 4 CYS H . 16960 1 7 . 1 1 4 4 CYS HA H 1 5.053 0.000 . 1 . . . . 4 CYS HA . 16960 1 8 . 1 1 4 4 CYS HB2 H 1 3.310 0.001 . 1 . . . . 4 CYS HB2 . 16960 1 9 . 1 1 4 4 CYS HB3 H 1 3.183 0.000 . 1 . . . . 4 CYS HB3 . 16960 1 10 . 1 1 5 5 GLY H H 1 9.250 0.000 . 1 . . . . 5 GLY H . 16960 1 11 . 1 1 5 5 GLY HA2 H 1 4.176 0.001 . 1 . . . . 5 GLY HA2 . 16960 1 12 . 1 1 5 5 GLY HA3 H 1 3.715 0.004 . 1 . . . . 5 GLY HA3 . 16960 1 13 . 1 1 6 6 GLY H H 1 8.551 0.000 . 1 . . . . 6 GLY H . 16960 1 14 . 1 1 6 6 GLY HA2 H 1 4.042 0.000 . 1 . . . . 6 GLY HA2 . 16960 1 15 . 1 1 6 6 GLY HA3 H 1 3.069 0.000 . 1 . . . . 6 GLY HA3 . 16960 1 16 . 1 1 7 7 PHE H H 1 7.961 0.001 . 1 . . . . 7 PHE H . 16960 1 17 . 1 1 7 7 PHE HA H 1 3.182 0.000 . 1 . . . . 7 PHE HA . 16960 1 18 . 1 1 7 7 PHE HB2 H 1 2.977 0.000 . 1 . . . . 7 PHE HB2 . 16960 1 19 . 1 1 7 7 PHE HB3 H 1 2.920 0.000 . 1 . . . . 7 PHE HB3 . 16960 1 20 . 1 1 7 7 PHE HD1 H 1 6.989 0.002 . 3 . . . . 7 PHE HD1 . 16960 1 21 . 1 1 7 7 PHE HE1 H 1 7.240 0.001 . 3 . . . . 7 PHE HE1 . 16960 1 22 . 1 1 7 7 PHE HZ H 1 7.162 0.003 . 1 . . . . 7 PHE HZ . 16960 1 23 . 1 1 8 8 TRP H H 1 9.150 0.004 . 1 . . . . 8 TRP H . 16960 1 24 . 1 1 8 8 TRP HA H 1 3.864 0.000 . 1 . . . . 8 TRP HA . 16960 1 25 . 1 1 8 8 TRP HB2 H 1 3.683 0.000 . 1 . . . . 8 TRP HB2 . 16960 1 26 . 1 1 8 8 TRP HB3 H 1 2.849 0.000 . 1 . . . . 8 TRP HB3 . 16960 1 27 . 1 1 8 8 TRP HD1 H 1 6.806 0.000 . 1 . . . . 8 TRP HD1 . 16960 1 28 . 1 1 8 8 TRP HE1 H 1 9.533 0.004 . 1 . . . . 8 TRP HE1 . 16960 1 29 . 1 1 8 8 TRP HH2 H 1 7.068 0.000 . 1 . . . . 8 TRP HH2 . 16960 1 30 . 1 1 8 8 TRP HZ2 H 1 7.253 0.001 . 1 . . . . 8 TRP HZ2 . 16960 1 31 . 1 1 9 9 TRP H H 1 8.341 0.002 . 1 . . . . 9 TRP H . 16960 1 32 . 1 1 9 9 TRP HA H 1 4.721 0.000 . 1 . . . . 9 TRP HA . 16960 1 33 . 1 1 9 9 TRP HB2 H 1 3.225 0.000 . 1 . . . . 9 TRP HB2 . 16960 1 34 . 1 1 9 9 TRP HB3 H 1 3.443 0.000 . 1 . . . . 9 TRP HB3 . 16960 1 35 . 1 1 9 9 TRP HD1 H 1 7.405 0.000 . 1 . . . . 9 TRP HD1 . 16960 1 36 . 1 1 9 9 TRP HE1 H 1 10.399 0.000 . 1 . . . . 9 TRP HE1 . 16960 1 37 . 1 1 9 9 TRP HH2 H 1 7.494 0.000 . 1 . . . . 9 TRP HH2 . 16960 1 38 . 1 1 9 9 TRP HZ2 H 1 7.783 0.001 . 1 . . . . 9 TRP HZ2 . 16960 1 39 . 1 1 10 10 LYS H H 1 8.271 0.001 . 1 . . . . 10 LYS H . 16960 1 40 . 1 1 10 10 LYS HA H 1 4.901 0.001 . 1 . . . . 10 LYS HA . 16960 1 41 . 1 1 10 10 LYS HB2 H 1 1.834 0.000 . 1 . . . . 10 LYS HB2 . 16960 1 42 . 1 1 10 10 LYS HB3 H 1 1.946 0.000 . 1 . . . . 10 LYS HB3 . 16960 1 43 . 1 1 10 10 LYS HD2 H 1 1.716 0.000 . 2 . . . . 10 LYS HD2 . 16960 1 44 . 1 1 10 10 LYS HE2 H 1 3.150 0.003 . 2 . . . . 10 LYS HE2 . 16960 1 45 . 1 1 10 10 LYS HG2 H 1 1.608 0.004 . 2 . . . . 10 LYS HG2 . 16960 1 46 . 1 1 10 10 LYS HZ1 H 1 7.681 0.000 . 1 . . . . 10 LYS HZ . 16960 1 47 . 1 1 10 10 LYS HZ2 H 1 7.681 0.000 . 1 . . . . 10 LYS HZ . 16960 1 48 . 1 1 10 10 LYS HZ3 H 1 7.681 0.000 . 1 . . . . 10 LYS HZ . 16960 1 49 . 1 1 11 11 CYS H H 1 8.586 0.000 . 1 . . . . 11 CYS H . 16960 1 50 . 1 1 11 11 CYS HA H 1 4.935 0.001 . 1 . . . . 11 CYS HA . 16960 1 51 . 1 1 11 11 CYS HB2 H 1 3.422 0.048 . 1 . . . . 11 CYS HB2 . 16960 1 52 . 1 1 11 11 CYS HB3 H 1 3.488 0.000 . 1 . . . . 11 CYS HB3 . 16960 1 53 . 1 1 12 12 GLY H H 1 9.058 0.000 . 1 . . . . 12 GLY H . 16960 1 54 . 1 1 12 12 GLY HA2 H 1 4.731 0.000 . 1 . . . . 12 GLY HA2 . 16960 1 55 . 1 1 12 12 GLY HA3 H 1 3.921 0.000 . 1 . . . . 12 GLY HA3 . 16960 1 56 . 1 1 13 13 SER H H 1 8.667 0.000 . 1 . . . . 13 SER H . 16960 1 57 . 1 1 13 13 SER HA H 1 4.192 0.000 . 1 . . . . 13 SER HA . 16960 1 58 . 1 1 13 13 SER HB2 H 1 1.445 0.000 . 2 . . . . 13 SER HB2 . 16960 1 59 . 1 1 14 14 GLY H H 1 9.363 0.000 . 1 . . . . 14 GLY H . 16960 1 60 . 1 1 14 14 GLY HA2 H 1 4.352 0.000 . 1 . . . . 14 GLY HA2 . 16960 1 61 . 1 1 14 14 GLY HA3 H 1 3.962 0.000 . 1 . . . . 14 GLY HA3 . 16960 1 62 . 1 1 15 15 LYS H H 1 8.138 0.000 . 1 . . . . 15 LYS H . 16960 1 63 . 1 1 15 15 LYS HA H 1 5.070 0.001 . 1 . . . . 15 LYS HA . 16960 1 64 . 1 1 15 15 LYS HB2 H 1 2.062 0.001 . 1 . . . . 15 LYS HB2 . 16960 1 65 . 1 1 15 15 LYS HB3 H 1 1.872 0.002 . 1 . . . . 15 LYS HB3 . 16960 1 66 . 1 1 15 15 LYS HD2 H 1 1.660 0.000 . 1 . . . . 15 LYS HD2 . 16960 1 67 . 1 1 15 15 LYS HD3 H 1 1.471 0.000 . 1 . . . . 15 LYS HD3 . 16960 1 68 . 1 1 15 15 LYS HE2 H 1 3.061 0.001 . 2 . . . . 15 LYS HE2 . 16960 1 69 . 1 1 15 15 LYS HG2 H 1 1.420 0.000 . 1 . . . . 15 LYS HG2 . 16960 1 70 . 1 1 15 15 LYS HG3 H 1 1.316 0.001 . 1 . . . . 15 LYS HG3 . 16960 1 71 . 1 1 15 15 LYS HZ1 H 1 7.781 0.000 . 1 . . . . 15 LYS HZ . 16960 1 72 . 1 1 15 15 LYS HZ2 H 1 7.781 0.000 . 1 . . . . 15 LYS HZ . 16960 1 73 . 1 1 15 15 LYS HZ3 H 1 7.781 0.000 . 1 . . . . 15 LYS HZ . 16960 1 74 . 1 1 16 16 PRO HA H 1 4.621 0.000 . 1 . . . . 16 PRO HA . 16960 1 75 . 1 1 16 16 PRO HB2 H 1 2.519 0.000 . 1 . . . . 16 PRO HB2 . 16960 1 76 . 1 1 16 16 PRO HB3 H 1 1.983 0.000 . 1 . . . . 16 PRO HB3 . 16960 1 77 . 1 1 16 16 PRO HD2 H 1 4.089 0.000 . 1 . . . . 16 PRO HD2 . 16960 1 78 . 1 1 16 16 PRO HD3 H 1 3.850 0.003 . 1 . . . . 16 PRO HD3 . 16960 1 79 . 1 1 16 16 PRO HG2 H 1 2.364 0.000 . 1 . . . . 16 PRO HG2 . 16960 1 80 . 1 1 16 16 PRO HG3 H 1 2.180 0.000 . 1 . . . . 16 PRO HG3 . 16960 1 81 . 1 1 17 17 ALA H H 1 8.874 0.001 . 1 . . . . 17 ALA H . 16960 1 82 . 1 1 17 17 ALA HA H 1 4.490 0.000 . 1 . . . . 17 ALA HA . 16960 1 83 . 1 1 17 17 ALA HB1 H 1 1.667 0.000 . 1 . . . . 17 ALA HB . 16960 1 84 . 1 1 17 17 ALA HB2 H 1 1.667 0.000 . 1 . . . . 17 ALA HB . 16960 1 85 . 1 1 17 17 ALA HB3 H 1 1.667 0.000 . 1 . . . . 17 ALA HB . 16960 1 86 . 1 1 18 18 CYS H H 1 9.175 0.001 . 1 . . . . 18 CYS H . 16960 1 87 . 1 1 18 18 CYS HA H 1 4.860 0.002 . 1 . . . . 18 CYS HA . 16960 1 88 . 1 1 18 18 CYS HB2 H 1 2.770 0.003 . 1 . . . . 18 CYS HB2 . 16960 1 89 . 1 1 18 18 CYS HB3 H 1 3.304 0.002 . 1 . . . . 18 CYS HB3 . 16960 1 90 . 1 1 19 19 CYS H H 1 10.639 0.000 . 1 . . . . 19 CYS H . 16960 1 91 . 1 1 19 19 CYS HA H 1 4.974 0.001 . 1 . . . . 19 CYS HA . 16960 1 92 . 1 1 19 19 CYS HB2 H 1 3.681 0.003 . 1 . . . . 19 CYS HB2 . 16960 1 93 . 1 1 19 19 CYS HB3 H 1 2.615 0.004 . 1 . . . . 19 CYS HB3 . 16960 1 94 . 1 1 20 20 PRO HA H 1 4.538 0.001 . 1 . . . . 20 PRO HA . 16960 1 95 . 1 1 20 20 PRO HB2 H 1 2.570 0.000 . 1 . . . . 20 PRO HB2 . 16960 1 96 . 1 1 20 20 PRO HB3 H 1 2.062 0.000 . 1 . . . . 20 PRO HB3 . 16960 1 97 . 1 1 20 20 PRO HD2 H 1 4.088 0.001 . 1 . . . . 20 PRO HD2 . 16960 1 98 . 1 1 20 20 PRO HD3 H 1 3.854 0.002 . 1 . . . . 20 PRO HD3 . 16960 1 99 . 1 1 20 20 PRO HG2 H 1 2.237 0.001 . 2 . . . . 20 PRO HG2 . 16960 1 100 . 1 1 21 21 LYS H H 1 7.652 0.001 . 1 . . . . 21 LYS H . 16960 1 101 . 1 1 21 21 LYS HA H 1 4.116 0.000 . 1 . . . . 21 LYS HA . 16960 1 102 . 1 1 21 21 LYS HB2 H 1 1.430 0.003 . 2 . . . . 21 LYS HB2 . 16960 1 103 . 1 1 21 21 LYS HD2 H 1 1.226 0.001 . 1 . . . . 21 LYS HD2 . 16960 1 104 . 1 1 21 21 LYS HE2 H 1 3.070 0.004 . 1 . . . . 21 LYS HE2 . 16960 1 105 . 1 1 21 21 LYS HG2 H 1 1.114 0.002 . 1 . . . . 21 LYS HG2 . 16960 1 106 . 1 1 21 21 LYS HZ1 H 1 3.070 0.000 . 1 . . . . 21 LYS HZ . 16960 1 107 . 1 1 21 21 LYS HZ2 H 1 3.070 0.000 . 1 . . . . 21 LYS HZ . 16960 1 108 . 1 1 21 21 LYS HZ3 H 1 3.070 0.000 . 1 . . . . 21 LYS HZ . 16960 1 109 . 1 1 22 22 TYR H H 1 8.432 0.000 . 1 . . . . 22 TYR H . 16960 1 110 . 1 1 22 22 TYR HA H 1 5.335 0.003 . 1 . . . . 22 TYR HA . 16960 1 111 . 1 1 22 22 TYR HB2 H 1 2.858 0.000 . 1 . . . . 22 TYR HB2 . 16960 1 112 . 1 1 22 22 TYR HB3 H 1 3.366 0.001 . 1 . . . . 22 TYR HB3 . 16960 1 113 . 1 1 22 22 TYR HD1 H 1 6.808 0.000 . 3 . . . . 22 TYR HD1 . 16960 1 114 . 1 1 22 22 TYR HE1 H 1 6.513 0.000 . 3 . . . . 22 TYR HE1 . 16960 1 115 . 1 1 23 23 VAL H H 1 9.560 0.001 . 1 . . . . 23 VAL H . 16960 1 116 . 1 1 23 23 VAL HA H 1 4.769 0.001 . 1 . . . . 23 VAL HA . 16960 1 117 . 1 1 23 23 VAL HB H 1 2.277 0.002 . 1 . . . . 23 VAL HB . 16960 1 118 . 1 1 23 23 VAL HG11 H 1 1.142 0.000 . 1 . . . . 23 VAL HG1 . 16960 1 119 . 1 1 23 23 VAL HG12 H 1 1.142 0.000 . 1 . . . . 23 VAL HG1 . 16960 1 120 . 1 1 23 23 VAL HG13 H 1 1.142 0.000 . 1 . . . . 23 VAL HG1 . 16960 1 121 . 1 1 23 23 VAL HG21 H 1 1.050 0.000 . 1 . . . . 23 VAL HG2 . 16960 1 122 . 1 1 23 23 VAL HG22 H 1 1.050 0.000 . 1 . . . . 23 VAL HG2 . 16960 1 123 . 1 1 23 23 VAL HG23 H 1 1.050 0.000 . 1 . . . . 23 VAL HG2 . 16960 1 124 . 1 1 24 24 CYS H H 1 9.182 0.001 . 1 . . . . 24 CYS H . 16960 1 125 . 1 1 24 24 CYS HA H 1 5.067 0.001 . 1 . . . . 24 CYS HA . 16960 1 126 . 1 1 24 24 CYS HB2 H 1 3.120 0.001 . 1 . . . . 24 CYS HB2 . 16960 1 127 . 1 1 24 24 CYS HB3 H 1 3.372 0.002 . 1 . . . . 24 CYS HB3 . 16960 1 128 . 1 1 25 25 SER H H 1 8.745 0.000 . 1 . . . . 25 SER H . 16960 1 129 . 1 1 25 25 SER HA H 1 4.796 0.000 . 1 . . . . 25 SER HA . 16960 1 130 . 1 1 25 25 SER HB2 H 1 4.563 0.000 . 1 . . . . 25 SER HB2 . 16960 1 131 . 1 1 25 25 SER HB3 H 1 1.661 0.000 . 1 . . . . 25 SER HB3 . 16960 1 132 . 1 1 26 26 PRO HA H 1 4.486 0.001 . 1 . . . . 26 PRO HA . 16960 1 133 . 1 1 26 26 PRO HB2 H 1 2.533 0.000 . 1 . . . . 26 PRO HB2 . 16960 1 134 . 1 1 26 26 PRO HB3 H 1 2.132 0.000 . 1 . . . . 26 PRO HB3 . 16960 1 135 . 1 1 26 26 PRO HD2 H 1 4.337 0.000 . 1 . . . . 26 PRO HD2 . 16960 1 136 . 1 1 26 26 PRO HD3 H 1 4.077 0.000 . 1 . . . . 26 PRO HD3 . 16960 1 137 . 1 1 26 26 PRO HG2 H 1 2.287 0.000 . 1 . . . . 26 PRO HG2 . 16960 1 138 . 1 1 26 26 PRO HG3 H 1 2.231 0.000 . 1 . . . . 26 PRO HG3 . 16960 1 139 . 1 1 27 27 LYS H H 1 8.539 0.000 . 1 . . . . 27 LYS H . 16960 1 140 . 1 1 27 27 LYS HA H 1 3.951 0.001 . 1 . . . . 27 LYS HA . 16960 1 141 . 1 1 27 27 LYS HB2 H 1 1.785 0.001 . 1 . . . . 27 LYS HB2 . 16960 1 142 . 1 1 27 27 LYS HB3 H 1 1.453 0.000 . 1 . . . . 27 LYS HB3 . 16960 1 143 . 1 1 27 27 LYS HD2 H 1 1.532 0.000 . 2 . . . . 27 LYS HD2 . 16960 1 144 . 1 1 27 27 LYS HE2 H 1 2.875 0.001 . 1 . . . . 27 LYS HE2 . 16960 1 145 . 1 1 27 27 LYS HE3 H 1 2.778 0.000 . 1 . . . . 27 LYS HE3 . 16960 1 146 . 1 1 27 27 LYS HG2 H 1 1.026 0.000 . 1 . . . . 27 LYS HG2 . 16960 1 147 . 1 1 27 27 LYS HG3 H 1 0.791 0.001 . 1 . . . . 27 LYS HG3 . 16960 1 148 . 1 1 27 27 LYS HZ1 H 1 7.606 0.000 . 1 . . . . 27 LYS HZ . 16960 1 149 . 1 1 27 27 LYS HZ2 H 1 7.606 0.000 . 1 . . . . 27 LYS HZ . 16960 1 150 . 1 1 27 27 LYS HZ3 H 1 7.606 0.000 . 1 . . . . 27 LYS HZ . 16960 1 151 . 1 1 28 28 TRP H H 1 7.660 0.002 . 1 . . . . 28 TRP H . 16960 1 152 . 1 1 28 28 TRP HA H 1 4.960 0.000 . 1 . . . . 28 TRP HA . 16960 1 153 . 1 1 28 28 TRP HB2 H 1 2.957 0.001 . 1 . . . . 28 TRP HB2 . 16960 1 154 . 1 1 28 28 TRP HB3 H 1 3.377 0.001 . 1 . . . . 28 TRP HB3 . 16960 1 155 . 1 1 28 28 TRP HD1 H 1 7.343 0.000 . 1 . . . . 28 TRP HD1 . 16960 1 156 . 1 1 28 28 TRP HE1 H 1 10.393 0.000 . 1 . . . . 28 TRP HE1 . 16960 1 157 . 1 1 28 28 TRP HH2 H 1 7.484 0.000 . 1 . . . . 28 TRP HH2 . 16960 1 158 . 1 1 28 28 TRP HZ2 H 1 7.705 0.000 . 1 . . . . 28 TRP HZ2 . 16960 1 159 . 1 1 29 29 GLY H H 1 8.544 0.000 . 1 . . . . 29 GLY H . 16960 1 160 . 1 1 29 29 GLY HA2 H 1 3.948 0.000 . 1 . . . . 29 GLY HA2 . 16960 1 161 . 1 1 29 29 GLY HA3 H 1 4.038 0.000 . 1 . . . . 29 GLY HA3 . 16960 1 162 . 1 1 30 30 LEU H H 1 6.843 0.001 . 1 . . . . 30 LEU H . 16960 1 163 . 1 1 30 30 LEU HA H 1 5.326 0.000 . 1 . . . . 30 LEU HA . 16960 1 164 . 1 1 30 30 LEU HB2 H 1 0.877 0.000 . 1 . . . . 30 LEU HB2 . 16960 1 165 . 1 1 30 30 LEU HB3 H 1 1.067 0.000 . 1 . . . . 30 LEU HB3 . 16960 1 166 . 1 1 30 30 LEU HD11 H 1 0.008 0.000 . 1 . . . . 30 LEU HD1 . 16960 1 167 . 1 1 30 30 LEU HD12 H 1 0.008 0.000 . 1 . . . . 30 LEU HD1 . 16960 1 168 . 1 1 30 30 LEU HD13 H 1 0.008 0.000 . 1 . . . . 30 LEU HD1 . 16960 1 169 . 1 1 30 30 LEU HD21 H 1 0.496 0.000 . 1 . . . . 30 LEU HD2 . 16960 1 170 . 1 1 30 30 LEU HD22 H 1 0.496 0.000 . 1 . . . . 30 LEU HD2 . 16960 1 171 . 1 1 30 30 LEU HD23 H 1 0.496 0.000 . 1 . . . . 30 LEU HD2 . 16960 1 172 . 1 1 30 30 LEU HG H 1 1.378 0.000 . 1 . . . . 30 LEU HG . 16960 1 173 . 1 1 31 31 CYS H H 1 9.081 0.000 . 1 . . . . 31 CYS H . 16960 1 174 . 1 1 31 31 CYS HA H 1 5.301 0.000 . 1 . . . . 31 CYS HA . 16960 1 175 . 1 1 31 31 CYS HB2 H 1 3.456 0.001 . 1 . . . . 31 CYS HB2 . 16960 1 176 . 1 1 31 31 CYS HB3 H 1 2.591 0.003 . 1 . . . . 31 CYS HB3 . 16960 1 177 . 1 1 32 32 ASN H H 1 9.704 0.000 . 1 . . . . 32 ASN H . 16960 1 178 . 1 1 32 32 ASN HA H 1 5.340 0.000 . 1 . . . . 32 ASN HA . 16960 1 179 . 1 1 32 32 ASN HB2 H 1 3.241 0.001 . 1 . . . . 32 ASN HB2 . 16960 1 180 . 1 1 32 32 ASN HB3 H 1 2.859 0.001 . 1 . . . . 32 ASN HB3 . 16960 1 181 . 1 1 32 32 ASN HD21 H 1 7.179 0.000 . 1 . . . . 32 ASN HD21 . 16960 1 182 . 1 1 32 32 ASN HD22 H 1 7.502 0.000 . 1 . . . . 32 ASN HD22 . 16960 1 183 . 1 1 33 33 PHE H H 1 9.075 0.000 . 1 . . . . 33 PHE H . 16960 1 184 . 1 1 33 33 PHE HA H 1 5.289 0.002 . 1 . . . . 33 PHE HA . 16960 1 185 . 1 1 33 33 PHE HB2 H 1 3.623 0.000 . 1 . . . . 33 PHE HB2 . 16960 1 186 . 1 1 33 33 PHE HB3 H 1 3.062 0.001 . 1 . . . . 33 PHE HB3 . 16960 1 187 . 1 1 33 33 PHE HD1 H 1 7.677 0.000 . 3 . . . . 33 PHE HD1 . 16960 1 188 . 1 1 33 33 PHE HE1 H 1 7.378 0.002 . 3 . . . . 33 PHE HE1 . 16960 1 189 . 1 1 33 33 PHE HZ H 1 7.479 0.000 . 1 . . . . 33 PHE HZ . 16960 1 190 . 1 1 34 34 PRO HA H 1 4.675 0.001 . 1 . . . . 34 PRO HA . 16960 1 191 . 1 1 34 34 PRO HB2 H 1 2.489 0.001 . 1 . . . . 34 PRO HB2 . 16960 1 192 . 1 1 34 34 PRO HB3 H 1 2.182 0.000 . 1 . . . . 34 PRO HB3 . 16960 1 193 . 1 1 34 34 PRO HD2 H 1 4.197 0.002 . 1 . . . . 34 PRO HD2 . 16960 1 194 . 1 1 34 34 PRO HD3 H 1 4.373 0.001 . 1 . . . . 34 PRO HD3 . 16960 1 195 . 1 1 34 34 PRO HG2 H 1 2.323 0.000 . 1 . . . . 34 PRO HG2 . 16960 1 196 . 1 1 34 34 PRO HG3 H 1 2.257 0.000 . 1 . . . . 34 PRO HG3 . 16960 1 197 . 1 1 35 35 MET H H 1 8.589 0.000 . 1 . . . . 35 MET H . 16960 1 198 . 1 1 35 35 MET HA H 1 4.935 0.003 . 1 . . . . 35 MET HA . 16960 1 199 . 1 1 35 35 MET HB2 H 1 2.284 0.000 . 1 . . . . 35 MET HB2 . 16960 1 200 . 1 1 35 35 MET HB3 H 1 2.179 0.000 . 1 . . . . 35 MET HB3 . 16960 1 201 . 1 1 35 35 MET HG2 H 1 2.857 0.000 . 2 . . . . 35 MET HG2 . 16960 1 202 . 1 1 36 36 PRO HA H 1 4.607 0.000 . 1 . . . . 36 PRO HA . 16960 1 203 . 1 1 36 36 PRO HB2 H 1 2.502 0.000 . 1 . . . . 36 PRO HB2 . 16960 1 204 . 1 1 36 36 PRO HD2 H 1 3.828 0.003 . 1 . . . . 36 PRO HD2 . 16960 1 205 . 1 1 36 36 PRO HD3 H 1 3.940 0.002 . 1 . . . . 36 PRO HD3 . 16960 1 206 . 1 1 36 36 PRO HG2 H 1 2.186 0.002 . 1 . . . . 36 PRO HG2 . 16960 1 stop_ save_