################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5652 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY 1 $sample_1 . 5652 1 2 TOCSY 1 $sample_1 . 5652 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.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 ASP HA H 1 4.337 0.010 . 1 . . . . . . . . . 5652 1 2 . 1 1 1 1 ASP HB2 H 1 2.965 0.010 . 1 . . . . . . . . . 5652 1 3 . 1 1 2 2 ARG H H 1 8.859 0.010 . 1 . . . . . . . . . 5652 1 4 . 1 1 2 2 ARG HA H 1 4.338 0.002 . 1 . . . . . . . . . 5652 1 5 . 1 1 2 2 ARG HB2 H 1 1.798 0.010 . 1 . . . . . . . . . 5652 1 6 . 1 1 2 2 ARG HB3 H 1 1.901 0.010 . 1 . . . . . . . . . 5652 1 7 . 1 1 2 2 ARG HG2 H 1 1.632 0.010 . 1 . . . . . . . . . 5652 1 8 . 1 1 2 2 ARG HG3 H 1 1.681 0.010 . 1 . . . . . . . . . 5652 1 9 . 1 1 2 2 ARG HD2 H 1 3.223 0.010 . 1 . . . . . . . . . 5652 1 10 . 1 1 2 2 ARG HD3 H 1 3.260 0.010 . 1 . . . . . . . . . 5652 1 11 . 1 1 2 2 ARG HE H 1 7.222 0.010 . 1 . . . . . . . . . 5652 1 12 . 1 1 3 3 ASP H H 1 8.486 0.010 . 1 . . . . . . . . . 5652 1 13 . 1 1 3 3 ASP HA H 1 4.834 0.010 . 1 . . . . . . . . . 5652 1 14 . 1 1 3 3 ASP HB2 H 1 2.817 0.001 . 1 . . . . . . . . . 5652 1 15 . 1 1 3 3 ASP HB3 H 1 2.947 0.010 . 1 . . . . . . . . . 5652 1 16 . 1 1 4 4 SER H H 1 8.301 0.010 . 1 . . . . . . . . . 5652 1 17 . 1 1 4 4 SER HA H 1 4.525 0.010 . 1 . . . . . . . . . 5652 1 18 . 1 1 4 4 SER HB2 H 1 3.975 0.010 . 1 . . . . . . . . . 5652 1 19 . 1 1 5 5 CYS H H 1 9.042 0.010 . 1 . . . . . . . . . 5652 1 20 . 1 1 5 5 CYS HA H 1 4.442 0.002 . 1 . . . . . . . . . 5652 1 21 . 1 1 5 5 CYS HB2 H 1 3.000 0.004 . 1 . . . . . . . . . 5652 1 22 . 1 1 6 6 VAL H H 1 7.956 0.001 . 1 . . . . . . . . . 5652 1 23 . 1 1 6 6 VAL HA H 1 4.064 0.010 . 1 . . . . . . . . . 5652 1 24 . 1 1 6 6 VAL HB H 1 2.114 0.010 . 1 . . . . . . . . . 5652 1 25 . 1 1 6 6 VAL HG11 H 1 0.947 0.010 . 1 . . . . . . . . . 5652 1 26 . 1 1 6 6 VAL HG12 H 1 0.947 0.010 . 1 . . . . . . . . . 5652 1 27 . 1 1 6 6 VAL HG13 H 1 0.947 0.010 . 1 . . . . . . . . . 5652 1 28 . 1 1 6 6 VAL HG21 H 1 1.065 0.002 . 1 . . . . . . . . . 5652 1 29 . 1 1 6 6 VAL HG22 H 1 1.065 0.002 . 1 . . . . . . . . . 5652 1 30 . 1 1 6 6 VAL HG23 H 1 1.065 0.002 . 1 . . . . . . . . . 5652 1 31 . 1 1 7 7 ASP H H 1 7.849 0.010 . 1 . . . . . . . . . 5652 1 32 . 1 1 7 7 ASP HA H 1 4.852 0.010 . 1 . . . . . . . . . 5652 1 33 . 1 1 7 7 ASP HB2 H 1 2.813 0.010 . 1 . . . . . . . . . 5652 1 34 . 1 1 7 7 ASP HB3 H 1 2.920 0.010 . 1 . . . . . . . . . 5652 1 35 . 1 1 8 8 LYS H H 1 7.750 0.001 . 1 . . . . . . . . . 5652 1 36 . 1 1 8 8 LYS HA H 1 4.389 0.010 . 1 . . . . . . . . . 5652 1 37 . 1 1 8 8 LYS HB2 H 1 1.762 0.010 . 1 . . . . . . . . . 5652 1 38 . 1 1 8 8 LYS HB3 H 1 1.914 0.010 . 1 . . . . . . . . . 5652 1 39 . 1 1 8 8 LYS HG2 H 1 1.433 0.010 . 1 . . . . . . . . . 5652 1 40 . 1 1 8 8 LYS HG3 H 1 1.505 0.010 . 1 . . . . . . . . . 5652 1 41 . 1 1 8 8 LYS HD2 H 1 1.670 0.010 . 1 . . . . . . . . . 5652 1 42 . 1 1 8 8 LYS HE2 H 1 2.987 0.001 . 1 . . . . . . . . . 5652 1 43 . 1 1 8 8 LYS HZ1 H 1 7.547 0.010 . 1 . . . . . . . . . 5652 1 44 . 1 1 8 8 LYS HZ2 H 1 7.547 0.010 . 1 . . . . . . . . . 5652 1 45 . 1 1 8 8 LYS HZ3 H 1 7.547 0.010 . 1 . . . . . . . . . 5652 1 46 . 1 1 9 9 SER H H 1 7.764 0.010 . 1 . . . . . . . . . 5652 1 47 . 1 1 9 9 SER HA H 1 4.543 0.010 . 1 . . . . . . . . . 5652 1 48 . 1 1 9 9 SER HB2 H 1 3.675 0.001 . 1 . . . . . . . . . 5652 1 49 . 1 1 9 9 SER HB3 H 1 3.785 0.010 . 1 . . . . . . . . . 5652 1 50 . 1 1 10 10 ARG H H 1 8.035 0.010 . 1 . . . . . . . . . 5652 1 51 . 1 1 10 10 ARG HA H 1 4.493 0.001 . 1 . . . . . . . . . 5652 1 52 . 1 1 10 10 ARG HB2 H 1 1.880 0.003 . 1 . . . . . . . . . 5652 1 53 . 1 1 10 10 ARG HB3 H 1 1.904 0.010 . 1 . . . . . . . . . 5652 1 54 . 1 1 10 10 ARG HG2 H 1 1.731 0.010 . 1 . . . . . . . . . 5652 1 55 . 1 1 10 10 ARG HG3 H 1 1.831 0.010 . 1 . . . . . . . . . 5652 1 56 . 1 1 10 10 ARG HD2 H 1 3.259 0.010 . 1 . . . . . . . . . 5652 1 57 . 1 1 10 10 ARG HE H 1 7.223 0.010 . 1 . . . . . . . . . 5652 1 58 . 1 1 11 11 CYS H H 1 7.928 0.001 . 1 . . . . . . . . . 5652 1 59 . 1 1 11 11 CYS HA H 1 4.008 0.010 . 1 . . . . . . . . . 5652 1 60 . 1 1 11 11 CYS HB2 H 1 2.043 0.003 . 1 . . . . . . . . . 5652 1 61 . 1 1 11 11 CYS HB3 H 1 3.167 0.002 . 1 . . . . . . . . . 5652 1 62 . 1 1 12 12 ALA H H 1 6.394 0.010 . 1 . . . . . . . . . 5652 1 63 . 1 1 12 12 ALA HA H 1 4.265 0.001 . 1 . . . . . . . . . 5652 1 64 . 1 1 12 12 ALA HB1 H 1 1.233 0.010 . 1 . . . . . . . . . 5652 1 65 . 1 1 12 12 ALA HB2 H 1 1.233 0.010 . 1 . . . . . . . . . 5652 1 66 . 1 1 12 12 ALA HB3 H 1 1.233 0.010 . 1 . . . . . . . . . 5652 1 67 . 1 1 13 13 LYS H H 1 8.184 0.010 . 1 . . . . . . . . . 5652 1 68 . 1 1 13 13 LYS HA H 1 1.849 0.001 . 1 . . . . . . . . . 5652 1 69 . 1 1 13 13 LYS HB2 H 1 1.179 0.010 . 1 . . . . . . . . . 5652 1 70 . 1 1 13 13 LYS HB3 H 1 1.413 0.003 . 1 . . . . . . . . . 5652 1 71 . 1 1 13 13 LYS HG2 H 1 0.307 0.001 . 1 . . . . . . . . . 5652 1 72 . 1 1 13 13 LYS HG3 H 1 0.626 0.010 . 1 . . . . . . . . . 5652 1 73 . 1 1 13 13 LYS HD2 H 1 1.592 0.010 . 1 . . . . . . . . . 5652 1 74 . 1 1 13 13 LYS HD3 H 1 1.619 0.010 . 1 . . . . . . . . . 5652 1 75 . 1 1 13 13 LYS HE2 H 1 2.917 0.002 . 1 . . . . . . . . . 5652 1 76 . 1 1 13 13 LYS HZ1 H 1 7.700 0.010 . 1 . . . . . . . . . 5652 1 77 . 1 1 13 13 LYS HZ2 H 1 7.700 0.010 . 1 . . . . . . . . . 5652 1 78 . 1 1 13 13 LYS HZ3 H 1 7.700 0.010 . 1 . . . . . . . . . 5652 1 79 . 1 1 14 14 TYR H H 1 7.267 0.003 . 1 . . . . . . . . . 5652 1 80 . 1 1 14 14 TYR HA H 1 4.673 0.002 . 1 . . . . . . . . . 5652 1 81 . 1 1 14 14 TYR HB2 H 1 2.667 0.010 . 1 . . . . . . . . . 5652 1 82 . 1 1 14 14 TYR HB3 H 1 3.006 0.010 . 1 . . . . . . . . . 5652 1 83 . 1 1 14 14 TYR HD1 H 1 7.135 0.010 . 1 . . . . . . . . . 5652 1 84 . 1 1 14 14 TYR HE1 H 1 6.791 0.001 . 1 . . . . . . . . . 5652 1 85 . 1 1 15 15 GLY H H 1 8.125 0.001 . 1 . . . . . . . . . 5652 1 86 . 1 1 15 15 GLY HA2 H 1 3.697 0.004 . 1 . . . . . . . . . 5652 1 87 . 1 1 15 15 GLY HA3 H 1 4.201 0.003 . 1 . . . . . . . . . 5652 1 88 . 1 1 16 16 TYR H H 1 8.454 0.010 . 1 . . . . . . . . . 5652 1 89 . 1 1 16 16 TYR HA H 1 4.399 0.010 . 1 . . . . . . . . . 5652 1 90 . 1 1 16 16 TYR HB2 H 1 2.868 0.010 . 1 . . . . . . . . . 5652 1 91 . 1 1 16 16 TYR HB3 H 1 3.069 0.010 . 1 . . . . . . . . . 5652 1 92 . 1 1 16 16 TYR HD1 H 1 7.096 0.010 . 1 . . . . . . . . . 5652 1 93 . 1 1 16 16 TYR HE1 H 1 6.706 0.010 . 1 . . . . . . . . . 5652 1 94 . 1 1 17 17 TYR H H 1 8.215 0.001 . 1 . . . . . . . . . 5652 1 95 . 1 1 17 17 TYR HA H 1 4.488 0.010 . 1 . . . . . . . . . 5652 1 96 . 1 1 17 17 TYR HB2 H 1 2.752 0.010 . 1 . . . . . . . . . 5652 1 97 . 1 1 17 17 TYR HB3 H 1 3.067 0.002 . 1 . . . . . . . . . 5652 1 98 . 1 1 17 17 TYR HD1 H 1 7.106 0.010 . 1 . . . . . . . . . 5652 1 99 . 1 1 17 17 TYR HE1 H 1 6.787 0.002 . 1 . . . . . . . . . 5652 1 100 . 1 1 18 18 GLN H H 1 9.067 0.010 . 1 . . . . . . . . . 5652 1 101 . 1 1 18 18 GLN HA H 1 3.470 0.010 . 1 . . . . . . . . . 5652 1 102 . 1 1 18 18 GLN HB2 H 1 1.849 0.010 . 1 . . . . . . . . . 5652 1 103 . 1 1 18 18 GLN HB3 H 1 2.162 0.010 . 1 . . . . . . . . . 5652 1 104 . 1 1 18 18 GLN HG2 H 1 2.264 0.010 . 1 . . . . . . . . . 5652 1 105 . 1 1 18 18 GLN HG3 H 1 2.323 0.010 . 1 . . . . . . . . . 5652 1 106 . 1 1 18 18 GLN HE21 H 1 7.137 0.001 . 1 . . . . . . . . . 5652 1 107 . 1 1 18 18 GLN HE22 H 1 7.751 0.001 . 1 . . . . . . . . . 5652 1 108 . 1 1 19 19 GLU H H 1 7.705 0.002 . 1 . . . . . . . . . 5652 1 109 . 1 1 19 19 GLU HA H 1 3.977 0.010 . 1 . . . . . . . . . 5652 1 110 . 1 1 19 19 GLU HB2 H 1 1.997 0.010 . 1 . . . . . . . . . 5652 1 111 . 1 1 19 19 GLU HG2 H 1 2.560 0.010 . 1 . . . . . . . . . 5652 1 112 . 1 1 19 19 GLU HG3 H 1 2.625 0.010 . 1 . . . . . . . . . 5652 1 113 . 1 1 20 20 CYS HA H 1 4.764 0.010 . 1 . . . . . . . . . 5652 1 114 . 1 1 20 20 CYS H H 1 7.215 0.010 . 1 . . . . . . . . . 5652 1 115 . 1 1 20 20 CYS HB3 H 1 3.452 0.010 . 1 . . . . . . . . . 5652 1 116 . 1 1 20 20 CYS HB2 H 1 2.911 0.002 . 1 . . . . . . . . . 5652 1 117 . 1 1 21 21 GLN HB2 H 1 1.952 0.002 . 1 . . . . . . . . . 5652 1 118 . 1 1 21 21 GLN HB3 H 1 1.969 0.001 . 1 . . . . . . . . . 5652 1 119 . 1 1 21 21 GLN HE21 H 1 7.025 0.001 . 1 . . . . . . . . . 5652 1 120 . 1 1 21 21 GLN HE22 H 1 7.637 0.010 . 1 . . . . . . . . . 5652 1 121 . 1 1 21 21 GLN HA H 1 3.825 0.010 . 1 . . . . . . . . . 5652 1 122 . 1 1 21 21 GLN HG3 H 1 2.812 0.010 . 1 . . . . . . . . . 5652 1 123 . 1 1 21 21 GLN H H 1 7.570 0.010 . 1 . . . . . . . . . 5652 1 124 . 1 1 21 21 GLN HG2 H 1 2.274 0.010 . 1 . . . . . . . . . 5652 1 125 . 1 1 22 22 ASP H H 1 8.606 0.010 . 1 . . . . . . . . . 5652 1 126 . 1 1 22 22 ASP HA H 1 4.381 0.001 . 1 . . . . . . . . . 5652 1 127 . 1 1 22 22 ASP HB2 H 1 2.804 0.010 . 1 . . . . . . . . . 5652 1 128 . 1 1 23 23 CYS H H 1 8.248 0.010 . 1 . . . . . . . . . 5652 1 129 . 1 1 23 23 CYS HA H 1 4.227 0.001 . 1 . . . . . . . . . 5652 1 130 . 1 1 23 23 CYS HB2 H 1 3.363 0.005 . 1 . . . . . . . . . 5652 1 131 . 1 1 23 23 CYS HB3 H 1 3.427 0.003 . 1 . . . . . . . . . 5652 1 132 . 1 1 24 24 CYS H H 1 8.640 0.010 . 1 . . . . . . . . . 5652 1 133 . 1 1 24 24 CYS HA H 1 4.354 0.010 . 1 . . . . . . . . . 5652 1 134 . 1 1 24 24 CYS HB2 H 1 2.544 0.010 . 1 . . . . . . . . . 5652 1 135 . 1 1 24 24 CYS HB3 H 1 2.646 0.010 . 1 . . . . . . . . . 5652 1 136 . 1 1 25 25 LYS H H 1 8.632 0.010 . 1 . . . . . . . . . 5652 1 137 . 1 1 25 25 LYS HA H 1 4.706 0.010 . 1 . . . . . . . . . 5652 1 138 . 1 1 25 25 LYS HD3 H 1 1.819 0.002 . 1 . . . . . . . . . 5652 1 139 . 1 1 25 25 LYS HB2 H 1 1.950 0.010 . 1 . . . . . . . . . 5652 1 140 . 1 1 25 25 LYS HG2 H 1 1.480 0.010 . 1 . . . . . . . . . 5652 1 141 . 1 1 25 25 LYS HG3 H 1 1.631 0.002 . 1 . . . . . . . . . 5652 1 142 . 1 1 25 25 LYS HD2 H 1 1.746 0.010 . 1 . . . . . . . . . 5652 1 143 . 1 1 25 25 LYS HE2 H 1 3.035 0.010 . 1 . . . . . . . . . 5652 1 144 . 1 1 25 25 LYS HZ1 H 1 7.588 0.003 . 1 . . . . . . . . . 5652 1 145 . 1 1 25 25 LYS HZ2 H 1 7.588 0.003 . 1 . . . . . . . . . 5652 1 146 . 1 1 25 25 LYS HZ3 H 1 7.588 0.003 . 1 . . . . . . . . . 5652 1 147 . 1 1 26 26 ASN H H 1 8.450 0.010 . 1 . . . . . . . . . 5652 1 148 . 1 1 26 26 ASN HA H 1 4.550 0.010 . 1 . . . . . . . . . 5652 1 149 . 1 1 26 26 ASN HB2 H 1 2.918 0.010 . 1 . . . . . . . . . 5652 1 150 . 1 1 26 26 ASN HB3 H 1 2.976 0.010 . 1 . . . . . . . . . 5652 1 151 . 1 1 26 26 ASN HD21 H 1 6.951 0.002 . 1 . . . . . . . . . 5652 1 152 . 1 1 26 26 ASN HD22 H 1 7.580 0.010 . 1 . . . . . . . . . 5652 1 153 . 1 1 27 27 ALA H H 1 7.644 0.010 . 1 . . . . . . . . . 5652 1 154 . 1 1 27 27 ALA HA H 1 4.550 0.010 . 1 . . . . . . . . . 5652 1 155 . 1 1 27 27 ALA HB1 H 1 1.679 0.010 . 1 . . . . . . . . . 5652 1 156 . 1 1 27 27 ALA HB2 H 1 1.679 0.010 . 1 . . . . . . . . . 5652 1 157 . 1 1 27 27 ALA HB3 H 1 1.679 0.010 . 1 . . . . . . . . . 5652 1 158 . 1 1 28 28 GLY H H 1 7.846 0.010 . 1 . . . . . . . . . 5652 1 159 . 1 1 28 28 GLY HA2 H 1 3.800 0.003 . 1 . . . . . . . . . 5652 1 160 . 1 1 28 28 GLY HA3 H 1 4.069 0.010 . 1 . . . . . . . . . 5652 1 161 . 1 1 29 29 HIS H H 1 8.206 0.010 . 1 . . . . . . . . . 5652 1 162 . 1 1 29 29 HIS HA H 1 5.023 0.003 . 1 . . . . . . . . . 5652 1 163 . 1 1 29 29 HIS HB2 H 1 2.828 0.010 . 1 . . . . . . . . . 5652 1 164 . 1 1 29 29 HIS HB3 H 1 3.675 0.010 . 1 . . . . . . . . . 5652 1 165 . 1 1 29 29 HIS HD2 H 1 7.219 0.010 . 1 . . . . . . . . . 5652 1 166 . 1 1 29 29 HIS HE1 H 1 8.695 0.003 . 1 . . . . . . . . . 5652 1 167 . 1 1 30 30 ASN H H 1 9.114 0.010 . 1 . . . . . . . . . 5652 1 168 . 1 1 30 30 ASN HA H 1 4.690 0.001 . 1 . . . . . . . . . 5652 1 169 . 1 1 30 30 ASN HB2 H 1 2.831 0.003 . 1 . . . . . . . . . 5652 1 170 . 1 1 30 30 ASN HD21 H 1 6.985 0.010 . 1 . . . . . . . . . 5652 1 171 . 1 1 30 30 ASN HD22 H 1 7.775 0.003 . 1 . . . . . . . . . 5652 1 172 . 1 1 31 31 GLY H H 1 7.721 0.010 . 1 . . . . . . . . . 5652 1 173 . 1 1 31 31 GLY HA2 H 1 3.682 0.010 . 1 . . . . . . . . . 5652 1 174 . 1 1 31 31 GLY HA3 H 1 4.326 0.010 . 1 . . . . . . . . . 5652 1 175 . 1 1 32 32 GLY H H 1 8.247 0.010 . 1 . . . . . . . . . 5652 1 176 . 1 1 32 32 GLY HA2 H 1 4.053 0.002 . 1 . . . . . . . . . 5652 1 177 . 1 1 32 32 GLY HA3 H 1 4.777 0.010 . 1 . . . . . . . . . 5652 1 178 . 1 1 33 33 THR H H 1 8.507 0.010 . 1 . . . . . . . . . 5652 1 179 . 1 1 33 33 THR HA H 1 4.413 0.010 . 1 . . . . . . . . . 5652 1 180 . 1 1 33 33 THR HB H 1 3.887 0.010 . 1 . . . . . . . . . 5652 1 181 . 1 1 33 33 THR HG21 H 1 1.103 0.002 . 1 . . . . . . . . . 5652 1 182 . 1 1 33 33 THR HG22 H 1 1.103 0.002 . 1 . . . . . . . . . 5652 1 183 . 1 1 33 33 THR HG23 H 1 1.103 0.002 . 1 . . . . . . . . . 5652 1 184 . 1 1 34 34 CYS H H 1 8.640 0.010 . 1 . . . . . . . . . 5652 1 185 . 1 1 34 34 CYS HA H 1 5.234 0.010 . 1 . . . . . . . . . 5652 1 186 . 1 1 34 34 CYS HB2 H 1 2.480 0.010 . 1 . . . . . . . . . 5652 1 187 . 1 1 34 34 CYS HB3 H 1 2.757 0.010 . 1 . . . . . . . . . 5652 1 188 . 1 1 35 35 MET H H 1 9.434 0.010 . 1 . . . . . . . . . 5652 1 189 . 1 1 35 35 MET HA H 1 4.750 0.010 . 1 . . . . . . . . . 5652 1 190 . 1 1 35 35 MET HB2 H 1 1.942 0.001 . 1 . . . . . . . . . 5652 1 191 . 1 1 35 35 MET HB3 H 1 2.043 0.002 . 1 . . . . . . . . . 5652 1 192 . 1 1 35 35 MET HG2 H 1 2.477 0.001 . 1 . . . . . . . . . 5652 1 193 . 1 1 36 36 PHE H H 1 7.977 0.010 . 1 . . . . . . . . . 5652 1 194 . 1 1 36 36 PHE HA H 1 3.570 0.010 . 1 . . . . . . . . . 5652 1 195 . 1 1 36 36 PHE HB2 H 1 2.917 0.010 . 1 . . . . . . . . . 5652 1 196 . 1 1 36 36 PHE HB3 H 1 3.483 0.010 . 1 . . . . . . . . . 5652 1 197 . 1 1 36 36 PHE HD1 H 1 7.236 0.010 . 1 . . . . . . . . . 5652 1 198 . 1 1 36 36 PHE HE1 H 1 7.447 0.010 . 1 . . . . . . . . . 5652 1 199 . 1 1 37 37 PHE H H 1 7.615 0.010 . 1 . . . . . . . . . 5652 1 200 . 1 1 37 37 PHE HA H 1 3.868 0.001 . 1 . . . . . . . . . 5652 1 201 . 1 1 37 37 PHE HB2 H 1 3.162 0.010 . 1 . . . . . . . . . 5652 1 202 . 1 1 37 37 PHE HB3 H 1 3.306 0.010 . 1 . . . . . . . . . 5652 1 203 . 1 1 37 37 PHE HD1 H 1 6.783 0.010 . 1 . . . . . . . . . 5652 1 204 . 1 1 37 37 PHE HE1 H 1 7.155 0.010 . 1 . . . . . . . . . 5652 1 205 . 1 1 37 37 PHE HZ H 1 7.200 0.001 . 1 . . . . . . . . . 5652 1 206 . 1 1 38 38 LYS H H 1 7.396 0.010 . 1 . . . . . . . . . 5652 1 207 . 1 1 38 38 LYS HA H 1 4.889 0.003 . 1 . . . . . . . . . 5652 1 208 . 1 1 38 38 LYS HD3 H 1 1.760 0.010 . 1 . . . . . . . . . 5652 1 209 . 1 1 38 38 LYS HB2 H 1 1.962 0.002 . 1 . . . . . . . . . 5652 1 210 . 1 1 38 38 LYS HG2 H 1 1.458 0.010 . 1 . . . . . . . . . 5652 1 211 . 1 1 38 38 LYS HG3 H 1 1.582 0.002 . 1 . . . . . . . . . 5652 1 212 . 1 1 38 38 LYS HD2 H 1 1.700 0.010 . 1 . . . . . . . . . 5652 1 213 . 1 1 38 38 LYS HE2 H 1 3.077 0.010 . 1 . . . . . . . . . 5652 1 214 . 1 1 39 39 CYS H H 1 9.340 0.010 . 1 . . . . . . . . . 5652 1 215 . 1 1 39 39 CYS HA H 1 4.639 0.004 . 1 . . . . . . . . . 5652 1 216 . 1 1 39 39 CYS HB2 H 1 2.717 0.010 . 1 . . . . . . . . . 5652 1 217 . 1 1 39 39 CYS HB3 H 1 2.783 0.010 . 1 . . . . . . . . . 5652 1 218 . 1 1 40 40 LYS H H 1 8.919 0.010 . 1 . . . . . . . . . 5652 1 219 . 1 1 40 40 LYS HA H 1 4.553 0.001 . 1 . . . . . . . . . 5652 1 220 . 1 1 40 40 LYS HB2 H 1 1.799 0.010 . 1 . . . . . . . . . 5652 1 221 . 1 1 40 40 LYS HB3 H 1 1.840 0.010 . 1 . . . . . . . . . 5652 1 222 . 1 1 40 40 LYS HG2 H 1 1.383 0.010 . 1 . . . . . . . . . 5652 1 223 . 1 1 40 40 LYS HG3 H 1 1.459 0.010 . 1 . . . . . . . . . 5652 1 224 . 1 1 40 40 LYS HD2 H 1 1.640 0.002 . 1 . . . . . . . . . 5652 1 225 . 1 1 41 41 CYS H H 1 8.740 0.010 . 1 . . . . . . . . . 5652 1 226 . 1 1 41 41 CYS HA H 1 5.264 0.004 . 1 . . . . . . . . . 5652 1 227 . 1 1 41 41 CYS HB2 H 1 2.241 0.010 . 1 . . . . . . . . . 5652 1 228 . 1 1 41 41 CYS HB3 H 1 2.633 0.010 . 1 . . . . . . . . . 5652 1 229 . 1 1 42 42 ALA H H 1 8.620 0.010 . 1 . . . . . . . . . 5652 1 230 . 1 1 42 42 ALA HA H 1 4.235 0.010 . 1 . . . . . . . . . 5652 1 231 . 1 1 42 42 ALA HB1 H 1 1.325 0.010 . 1 . . . . . . . . . 5652 1 232 . 1 1 42 42 ALA HB2 H 1 1.325 0.010 . 1 . . . . . . . . . 5652 1 233 . 1 1 42 42 ALA HB3 H 1 1.325 0.010 . 1 . . . . . . . . . 5652 1 stop_ save_