################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 12022 _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-15N HSQC' 1 $sample_1 isotropic 12022 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 12022 1 3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 12022 1 4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 12022 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 12022 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 2 2 LEU HA H 1 4.424 0.004 . 1 . . 265 . . 2 LEU HA . 12022 1 2 . 1 1 2 2 LEU HB2 H 1 1.657 0.006 . 2 . . 240 . . 2 LEU HB2 . 12022 1 3 . 1 1 2 2 LEU HB3 H 1 1.526 0.003 . 2 . . 242 . . 2 LEU HB3 . 12022 1 4 . 1 1 2 2 LEU HD11 H 1 0.732 0.001 . 2 . . 237 . . 2 LEU HD11 . 12022 1 5 . 1 1 2 2 LEU HD12 H 1 0.732 0.001 . 2 . . 237 . . 2 LEU HD12 . 12022 1 6 . 1 1 2 2 LEU HD13 H 1 0.732 0.001 . 2 . . 237 . . 2 LEU HD13 . 12022 1 7 . 1 1 2 2 LEU HD21 H 1 0.732 0.002 . 2 . . 238 . . 2 LEU HD21 . 12022 1 8 . 1 1 2 2 LEU HD22 H 1 0.732 0.002 . 2 . . 238 . . 2 LEU HD22 . 12022 1 9 . 1 1 2 2 LEU HD23 H 1 0.732 0.002 . 2 . . 238 . . 2 LEU HD23 . 12022 1 10 . 1 1 2 2 LEU HG H 1 1.517 . . 1 . . 351 . . 2 LEU HG . 12022 1 11 . 1 1 2 2 LEU CA C 13 54.785 . . 1 . . 266 . . 2 LEU CA . 12022 1 12 . 1 1 2 2 LEU CB C 13 43.900 0.005 . 1 . . 241 . . 2 LEU CB . 12022 1 13 . 1 1 2 2 LEU CD1 C 13 25.265 . . 2 . . 236 . . 2 LEU CD1 . 12022 1 14 . 1 1 2 2 LEU CD2 C 13 23.197 . . 2 . . 239 . . 2 LEU CD2 . 12022 1 15 . 1 1 2 2 LEU CG C 13 27.348 . . 1 . . 350 . . 2 LEU CG . 12022 1 16 . 1 1 3 3 GLY H H 1 8.368 0.002 . 1 . . 18 . . 3 GLY H . 12022 1 17 . 1 1 3 3 GLY HA2 H 1 4.214 0.003 . 2 . . 98 . . 3 GLY HA2 . 12022 1 18 . 1 1 3 3 GLY HA3 H 1 4.057 0.006 . 2 . . 99 . . 3 GLY HA3 . 12022 1 19 . 1 1 3 3 GLY CA C 13 44.352 0.041 . 1 . . 146 . . 3 GLY CA . 12022 1 20 . 1 1 3 3 GLY N N 15 108.395 0.001 . 1 . . 17 . . 3 GLY N . 12022 1 21 . 1 1 4 4 LYS H H 1 8.517 0.002 . 1 . . 16 . . 4 LYS H . 12022 1 22 . 1 1 4 4 LYS HA H 1 4.012 0.002 . 1 . . 92 . . 4 LYS HA . 12022 1 23 . 1 1 4 4 LYS HB2 H 1 1.878 0.001 . 2 . . 283 . . 4 LYS HB2 . 12022 1 24 . 1 1 4 4 LYS HB3 H 1 1.908 0.002 . 2 . . 285 . . 4 LYS HB3 . 12022 1 25 . 1 1 4 4 LYS HD2 H 1 1.738 0.002 . 1 . . 288 . . 4 LYS HD2 . 12022 1 26 . 1 1 4 4 LYS HE2 H 1 3.024 . . 1 . . 286 . . 4 LYS HE2 . 12022 1 27 . 1 1 4 4 LYS HG2 H 1 1.606 0.002 . 2 . . 290 . . 4 LYS HG2 . 12022 1 28 . 1 1 4 4 LYS HG3 H 1 1.493 0.006 . 2 . . 291 . . 4 LYS HG3 . 12022 1 29 . 1 1 4 4 LYS CA C 13 59.833 . . 1 . . 282 . . 4 LYS CA . 12022 1 30 . 1 1 4 4 LYS CB C 13 32.545 . . 1 . . 284 . . 4 LYS CB . 12022 1 31 . 1 1 4 4 LYS CD C 13 29.061 0.012 . 1 . . 289 . . 4 LYS CD . 12022 1 32 . 1 1 4 4 LYS CE C 13 41.846 . . 1 . . 287 . . 4 LYS CE . 12022 1 33 . 1 1 4 4 LYS CG C 13 24.912 0.022 . 1 . . 292 . . 4 LYS CG . 12022 1 34 . 1 1 4 4 LYS N N 15 120.206 0.009 . 1 . . 15 . . 4 LYS N . 12022 1 35 . 1 1 5 5 ALA HA H 1 4.284 0.002 . 1 . . 136 . . 5 ALA HA . 12022 1 36 . 1 1 5 5 ALA HB1 H 1 1.480 0.005 . 1 . . 137 . . 5 ALA HB1 . 12022 1 37 . 1 1 5 5 ALA HB2 H 1 1.480 0.005 . 1 . . 137 . . 5 ALA HB2 . 12022 1 38 . 1 1 5 5 ALA HB3 H 1 1.480 0.005 . 1 . . 137 . . 5 ALA HB3 . 12022 1 39 . 1 1 5 5 ALA CA C 13 55.078 . . 1 . . 135 . . 5 ALA CA . 12022 1 40 . 1 1 5 5 ALA CB C 13 17.784 . . 1 . . 138 . . 5 ALA CB . 12022 1 41 . 1 1 6 6 GLN H H 1 8.192 0.008 . 1 . . 44 . . 6 GLN H . 12022 1 42 . 1 1 6 6 GLN HA H 1 4.231 0.002 . 1 . . 150 . . 6 GLN HA . 12022 1 43 . 1 1 6 6 GLN HB2 H 1 2.310 0.005 . 2 . . 151 . . 6 GLN HB2 . 12022 1 44 . 1 1 6 6 GLN HB3 H 1 2.035 0.005 . 2 . . 153 . . 6 GLN HB3 . 12022 1 45 . 1 1 6 6 GLN HE21 H 1 7.623 0.001 . 1 . . 299 . . 6 GLN HE21 . 12022 1 46 . 1 1 6 6 GLN HE22 H 1 6.969 0.002 . 1 . . 300 . . 6 GLN HE22 . 12022 1 47 . 1 1 6 6 GLN HG2 H 1 2.565 0.008 . 2 . . 154 . . 6 GLN HG2 . 12022 1 48 . 1 1 6 6 GLN HG3 H 1 2.488 0.005 . 2 . . 155 . . 6 GLN HG3 . 12022 1 49 . 1 1 6 6 GLN CA C 13 59.134 . . 1 . . 149 . . 6 GLN CA . 12022 1 50 . 1 1 6 6 GLN CB C 13 28.492 . . 1 . . 152 . . 6 GLN CB . 12022 1 51 . 1 1 6 6 GLN CG C 13 34.766 0.006 . 1 . . 156 . . 6 GLN CG . 12022 1 52 . 1 1 6 6 GLN N N 15 119.777 0.01 . 1 . . 43 . . 6 GLN N . 12022 1 53 . 1 1 6 6 GLN NE2 N 15 112.630 0.007 . 1 . . 301 . . 6 GLN NE2 . 12022 1 54 . 1 1 7 7 CYS H H 1 8.665 0.001 . 1 . . 24 . . 7 CYS H . 12022 1 55 . 1 1 7 7 CYS HA H 1 4.649 0.002 . 1 . . 86 . . 7 CYS HA . 12022 1 56 . 1 1 7 7 CYS HB2 H 1 3.208 0.004 . 2 . . 87 . . 7 CYS HB2 . 12022 1 57 . 1 1 7 7 CYS HB3 H 1 3.152 0.006 . 2 . . 88 . . 7 CYS HB3 . 12022 1 58 . 1 1 7 7 CYS CA C 13 60.806 . . 1 . . 90 . . 7 CYS CA . 12022 1 59 . 1 1 7 7 CYS CB C 13 40.693 . . 1 . . 89 . . 7 CYS CB . 12022 1 60 . 1 1 7 7 CYS N N 15 119.247 0.009 . 1 . . 23 . . 7 CYS N . 12022 1 61 . 1 1 8 8 ALA H H 1 8.516 0.002 . 1 . . 40 . . 8 ALA H . 12022 1 62 . 1 1 8 8 ALA HA H 1 4.419 0.003 . 1 . . 91 . . 8 ALA HA . 12022 1 63 . 1 1 8 8 ALA HB1 H 1 1.608 0.003 . 1 . . 93 . . 8 ALA HB1 . 12022 1 64 . 1 1 8 8 ALA HB2 H 1 1.608 0.003 . 1 . . 93 . . 8 ALA HB2 . 12022 1 65 . 1 1 8 8 ALA HB3 H 1 1.608 0.003 . 1 . . 93 . . 8 ALA HB3 . 12022 1 66 . 1 1 8 8 ALA CA C 13 55.352 . . 1 . . 95 . . 8 ALA CA . 12022 1 67 . 1 1 8 8 ALA CB C 13 17.815 . . 1 . . 94 . . 8 ALA CB . 12022 1 68 . 1 1 8 8 ALA N N 15 124.108 0.005 . 1 . . 39 . . 8 ALA N . 12022 1 69 . 1 1 9 9 ALA H H 1 7.753 0.002 . 1 . . 20 . . 9 ALA H . 12022 1 70 . 1 1 9 9 ALA HA H 1 4.295 0.002 . 1 . . 129 . . 9 ALA HA . 12022 1 71 . 1 1 9 9 ALA HB1 H 1 1.606 0.003 . 1 . . 125 . . 9 ALA HB1 . 12022 1 72 . 1 1 9 9 ALA HB2 H 1 1.606 0.003 . 1 . . 125 . . 9 ALA HB2 . 12022 1 73 . 1 1 9 9 ALA HB3 H 1 1.606 0.003 . 1 . . 125 . . 9 ALA HB3 . 12022 1 74 . 1 1 9 9 ALA CA C 13 55.012 . . 1 . . 141 . . 9 ALA CA . 12022 1 75 . 1 1 9 9 ALA CB C 13 17.830 . . 1 . . 126 . . 9 ALA CB . 12022 1 76 . 1 1 9 9 ALA N N 15 121.019 0.008 . 1 . . 19 . . 9 ALA N . 12022 1 77 . 1 1 10 10 LEU H H 1 8.207 0.001 . 1 . . 38 . . 10 LEU H . 12022 1 78 . 1 1 10 10 LEU HA H 1 4.265 0.003 . 1 . . 130 . . 10 LEU HA . 12022 1 79 . 1 1 10 10 LEU HB2 H 1 2.417 0.003 . 2 . . 223 . . 10 LEU HB2 . 12022 1 80 . 1 1 10 10 LEU HB3 H 1 1.877 0.005 . 2 . . 224 . . 10 LEU HB3 . 12022 1 81 . 1 1 10 10 LEU HD11 H 1 1.138 0.002 . 2 . . 226 . . 10 LEU HD11 . 12022 1 82 . 1 1 10 10 LEU HD12 H 1 1.138 0.002 . 2 . . 226 . . 10 LEU HD12 . 12022 1 83 . 1 1 10 10 LEU HD13 H 1 1.138 0.002 . 2 . . 226 . . 10 LEU HD13 . 12022 1 84 . 1 1 10 10 LEU HD21 H 1 1.062 0.003 . 2 . . 227 . . 10 LEU HD21 . 12022 1 85 . 1 1 10 10 LEU HD22 H 1 1.062 0.003 . 2 . . 227 . . 10 LEU HD22 . 12022 1 86 . 1 1 10 10 LEU HD23 H 1 1.062 0.003 . 2 . . 227 . . 10 LEU HD23 . 12022 1 87 . 1 1 10 10 LEU HG H 1 2.029 0.004 . 1 . . 225 . . 10 LEU HG . 12022 1 88 . 1 1 10 10 LEU CA C 13 57.664 . . 1 . . 263 . . 10 LEU CA . 12022 1 89 . 1 1 10 10 LEU CB C 13 43.385 0.03 . 1 . . 222 . . 10 LEU CB . 12022 1 90 . 1 1 10 10 LEU CD1 C 13 23.651 . . 2 . . 247 . . 10 LEU CD1 . 12022 1 91 . 1 1 10 10 LEU CD2 C 13 25.816 . . 2 . . 248 . . 10 LEU CD2 . 12022 1 92 . 1 1 10 10 LEU CG C 13 27.330 . . 1 . . 228 . . 10 LEU CG . 12022 1 93 . 1 1 10 10 LEU N N 15 120.080 0.01 . 1 . . 37 . . 10 LEU N . 12022 1 94 . 1 1 11 11 TRP H H 1 8.819 0.0 . 1 . . 50 . . 11 TRP H . 12022 1 95 . 1 1 11 11 TRP HA H 1 3.720 0.005 . 1 . . 77 . . 11 TRP HA . 12022 1 96 . 1 1 11 11 TRP HB2 H 1 3.305 0.002 . 1 . . 78 . . 11 TRP HB2 . 12022 1 97 . 1 1 11 11 TRP HD1 H 1 6.919 0.005 . 1 . . 171 . . 11 TRP HD1 . 12022 1 98 . 1 1 11 11 TRP HE1 H 1 9.995 0.002 . 1 . . 70 . . 11 TRP HE1 . 12022 1 99 . 1 1 11 11 TRP HE3 H 1 6.285 0.004 . 1 . . 165 . . 11 TRP HE3 . 12022 1 100 . 1 1 11 11 TRP HH2 H 1 7.098 0.005 . 1 . . 169 . . 11 TRP HH2 . 12022 1 101 . 1 1 11 11 TRP HZ2 H 1 7.360 0.003 . 1 . . 173 . . 11 TRP HZ2 . 12022 1 102 . 1 1 11 11 TRP HZ3 H 1 6.865 0.003 . 1 . . 167 . . 11 TRP HZ3 . 12022 1 103 . 1 1 11 11 TRP CA C 13 60.288 . . 1 . . 79 . . 11 TRP CA . 12022 1 104 . 1 1 11 11 TRP CB C 13 28.699 . . 1 . . 80 . . 11 TRP CB . 12022 1 105 . 1 1 11 11 TRP CD1 C 13 126.456 . . 1 . . 172 . . 11 TRP CD1 . 12022 1 106 . 1 1 11 11 TRP CE3 C 13 120.465 . . 1 . . 166 . . 11 TRP CE3 . 12022 1 107 . 1 1 11 11 TRP CH2 C 13 124.242 . . 1 . . 170 . . 11 TRP CH2 . 12022 1 108 . 1 1 11 11 TRP CZ2 C 13 114.415 . . 1 . . 174 . . 11 TRP CZ2 . 12022 1 109 . 1 1 11 11 TRP CZ3 C 13 121.696 . . 1 . . 168 . . 11 TRP CZ3 . 12022 1 110 . 1 1 11 11 TRP N N 15 120.256 0.003 . 1 . . 49 . . 11 TRP N . 12022 1 111 . 1 1 11 11 TRP NE1 N 15 128.633 0.007 . 1 . . 69 . . 11 TRP NE1 . 12022 1 112 . 1 1 12 12 LEU H H 1 7.757 0.001 . 1 . . 54 . . 12 LEU H . 12022 1 113 . 1 1 12 12 LEU HA H 1 3.808 0.007 . 1 . . 127 . . 12 LEU HA . 12022 1 114 . 1 1 12 12 LEU HB2 H 1 1.886 0.003 . 2 . . 249 . . 12 LEU HB2 . 12022 1 115 . 1 1 12 12 LEU HB3 H 1 1.701 0.004 . 2 . . 251 . . 12 LEU HB3 . 12022 1 116 . 1 1 12 12 LEU HD11 H 1 0.977 0.004 . 2 . . 245 . . 12 LEU HD11 . 12022 1 117 . 1 1 12 12 LEU HD12 H 1 0.977 0.004 . 2 . . 245 . . 12 LEU HD12 . 12022 1 118 . 1 1 12 12 LEU HD13 H 1 0.977 0.004 . 2 . . 245 . . 12 LEU HD13 . 12022 1 119 . 1 1 12 12 LEU HD21 H 1 0.973 0.005 . 2 . . 274 . . 12 LEU HD21 . 12022 1 120 . 1 1 12 12 LEU HD22 H 1 0.973 0.005 . 2 . . 274 . . 12 LEU HD22 . 12022 1 121 . 1 1 12 12 LEU HD23 H 1 0.973 0.005 . 2 . . 274 . . 12 LEU HD23 . 12022 1 122 . 1 1 12 12 LEU HG H 1 1.841 0.005 . 1 . . 243 . . 12 LEU HG . 12022 1 123 . 1 1 12 12 LEU CA C 13 57.913 . . 1 . . 264 . . 12 LEU CA . 12022 1 124 . 1 1 12 12 LEU CB C 13 41.784 0.002 . 1 . . 250 . . 12 LEU CB . 12022 1 125 . 1 1 12 12 LEU CD1 C 13 24.726 . . 2 . . 246 . . 12 LEU CD1 . 12022 1 126 . 1 1 12 12 LEU CD2 C 13 23.789 . . 2 . . 275 . . 12 LEU CD2 . 12022 1 127 . 1 1 12 12 LEU CG C 13 27.034 . . 1 . . 244 . . 12 LEU CG . 12022 1 128 . 1 1 12 12 LEU N N 15 117.631 0.006 . 1 . . 53 . . 12 LEU N . 12022 1 129 . 1 1 13 13 GLN H H 1 7.755 0.001 . 1 . . 32 . . 13 GLN H . 12022 1 130 . 1 1 13 13 GLN HA H 1 3.964 0.001 . 1 . . 128 . . 13 GLN HA . 12022 1 131 . 1 1 13 13 GLN HB2 H 1 2.179 0.005 . 2 . . 202 . . 13 GLN HB2 . 12022 1 132 . 1 1 13 13 GLN HB3 H 1 2.006 0.007 . 2 . . 205 . . 13 GLN HB3 . 12022 1 133 . 1 1 13 13 GLN HE21 H 1 7.333 0.011 . 1 . . 293 . . 13 GLN HE21 . 12022 1 134 . 1 1 13 13 GLN HE22 H 1 6.793 0.0 . 1 . . 294 . . 13 GLN HE22 . 12022 1 135 . 1 1 13 13 GLN HG2 H 1 2.324 0.005 . 2 . . 199 . . 13 GLN HG2 . 12022 1 136 . 1 1 13 13 GLN HG3 H 1 2.525 0.002 . 2 . . 200 . . 13 GLN HG3 . 12022 1 137 . 1 1 13 13 GLN CA C 13 58.390 . . 1 . . 204 . . 13 GLN CA . 12022 1 138 . 1 1 13 13 GLN CB C 13 28.936 . . 1 . . 203 . . 13 GLN CB . 12022 1 139 . 1 1 13 13 GLN CG C 13 34.083 0.022 . 1 . . 201 . . 13 GLN CG . 12022 1 140 . 1 1 13 13 GLN N N 15 118.652 0.001 . 1 . . 31 . . 13 GLN N . 12022 1 141 . 1 1 13 13 GLN NE2 N 15 110.788 0.0 . 1 . . 295 . . 13 GLN NE2 . 12022 1 142 . 1 1 14 14 CYS H H 1 8.238 0.001 . 1 . . 42 . . 14 CYS H . 12022 1 143 . 1 1 14 14 CYS HA H 1 4.355 0.003 . 1 . . 213 . . 14 CYS HA . 12022 1 144 . 1 1 14 14 CYS HB2 H 1 2.566 0.008 . 2 . . 215 . . 14 CYS HB2 . 12022 1 145 . 1 1 14 14 CYS HB3 H 1 2.582 0.007 . 2 . . 346 . . 14 CYS HB3 . 12022 1 146 . 1 1 14 14 CYS CA C 13 57.592 . . 1 . . 214 . . 14 CYS CA . 12022 1 147 . 1 1 14 14 CYS CB C 13 38.638 . . 1 . . 216 . . 14 CYS CB . 12022 1 148 . 1 1 14 14 CYS N N 15 118.423 0.006 . 1 . . 41 . . 14 CYS N . 12022 1 149 . 1 1 15 15 ALA H H 1 8.204 0.014 . 1 . . 66 . . 15 ALA H . 12022 1 150 . 1 1 15 15 ALA HA H 1 3.771 0.004 . 1 . . 131 . . 15 ALA HA . 12022 1 151 . 1 1 15 15 ALA HB1 H 1 0.731 0.002 . 1 . . 132 . . 15 ALA HB1 . 12022 1 152 . 1 1 15 15 ALA HB2 H 1 0.731 0.002 . 1 . . 132 . . 15 ALA HB2 . 12022 1 153 . 1 1 15 15 ALA HB3 H 1 0.731 0.002 . 1 . . 132 . . 15 ALA HB3 . 12022 1 154 . 1 1 15 15 ALA CA C 13 53.662 . . 1 . . 134 . . 15 ALA CA . 12022 1 155 . 1 1 15 15 ALA CB C 13 17.654 . . 1 . . 133 . . 15 ALA CB . 12022 1 156 . 1 1 15 15 ALA N N 15 121.768 0.011 . 1 . . 65 . . 15 ALA N . 12022 1 157 . 1 1 16 16 SER H H 1 7.627 0.001 . 1 . . 62 . . 16 SER H . 12022 1 158 . 1 1 16 16 SER HA H 1 4.350 0.002 . 1 . . 105 . . 16 SER HA . 12022 1 159 . 1 1 16 16 SER HB2 H 1 3.936 0.006 . 2 . . 106 . . 16 SER HB2 . 12022 1 160 . 1 1 16 16 SER HB3 H 1 3.717 . . 2 . . 347 . . 16 SER HB3 . 12022 1 161 . 1 1 16 16 SER CA C 13 59.264 . . 1 . . 108 . . 16 SER CA . 12022 1 162 . 1 1 16 16 SER CB C 13 63.661 . . 1 . . 107 . . 16 SER CB . 12022 1 163 . 1 1 16 16 SER N N 15 111.880 0.018 . 1 . . 61 . . 16 SER N . 12022 1 164 . 1 1 17 17 GLY H H 1 7.861 0.001 . 1 . . 10 . . 17 GLY H . 12022 1 165 . 1 1 17 17 GLY HA2 H 1 4.005 0.005 . 1 . . 307 . . 17 GLY HA2 . 12022 1 166 . 1 1 17 17 GLY N N 15 109.805 0.007 . 1 . . 9 . . 17 GLY N . 12022 1 167 . 1 1 18 18 GLY H H 1 8.179 0.001 . 1 . . 26 . . 18 GLY H . 12022 1 168 . 1 1 18 18 GLY HA2 H 1 4.063 0.01 . 2 . . 148 . . 18 GLY HA2 . 12022 1 169 . 1 1 18 18 GLY HA3 H 1 3.970 0.004 . 2 . . 348 . . 18 GLY HA3 . 12022 1 170 . 1 1 18 18 GLY CA C 13 45.452 . . 1 . . 147 . . 18 GLY CA . 12022 1 171 . 1 1 18 18 GLY N N 15 108.365 0.01 . 1 . . 25 . . 18 GLY N . 12022 1 172 . 1 1 19 19 THR H H 1 8.090 0.001 . 1 . . 58 . . 19 THR H . 12022 1 173 . 1 1 19 19 THR HA H 1 4.370 0.001 . 1 . . 278 . . 19 THR HA . 12022 1 174 . 1 1 19 19 THR HB H 1 4.276 0.004 . 1 . . 276 . . 19 THR HB . 12022 1 175 . 1 1 19 19 THR HG21 H 1 1.223 0.002 . 1 . . 280 . . 19 THR HG21 . 12022 1 176 . 1 1 19 19 THR HG22 H 1 1.223 0.002 . 1 . . 280 . . 19 THR HG22 . 12022 1 177 . 1 1 19 19 THR HG23 H 1 1.223 0.002 . 1 . . 280 . . 19 THR HG23 . 12022 1 178 . 1 1 19 19 THR CA C 13 62.111 . . 1 . . 279 . . 19 THR CA . 12022 1 179 . 1 1 19 19 THR CB C 13 69.684 . . 1 . . 277 . . 19 THR CB . 12022 1 180 . 1 1 19 19 THR CG2 C 13 21.701 . . 1 . . 281 . . 19 THR CG2 . 12022 1 181 . 1 1 19 19 THR N N 15 113.410 0.017 . 1 . . 57 . . 19 THR N . 12022 1 182 . 1 1 20 20 ILE H H 1 8.091 0.001 . 1 . . 8 . . 20 ILE H . 12022 1 183 . 1 1 20 20 ILE HA H 1 4.158 0.004 . 1 . . 257 . . 20 ILE HA . 12022 1 184 . 1 1 20 20 ILE HB H 1 1.893 0.003 . 1 . . 255 . . 20 ILE HB . 12022 1 185 . 1 1 20 20 ILE HD11 H 1 0.879 0.006 . 1 . . 252 . . 20 ILE HD11 . 12022 1 186 . 1 1 20 20 ILE HD12 H 1 0.879 0.006 . 1 . . 252 . . 20 ILE HD12 . 12022 1 187 . 1 1 20 20 ILE HD13 H 1 0.879 0.006 . 1 . . 252 . . 20 ILE HD13 . 12022 1 188 . 1 1 20 20 ILE HG12 H 1 1.219 0.006 . 2 . . 260 . . 20 ILE HG12 . 12022 1 189 . 1 1 20 20 ILE HG13 H 1 1.514 0.005 . 2 . . 262 . . 20 ILE HG13 . 12022 1 190 . 1 1 20 20 ILE HG21 H 1 0.934 0.005 . 1 . . 254 . . 20 ILE HG21 . 12022 1 191 . 1 1 20 20 ILE HG22 H 1 0.934 0.005 . 1 . . 254 . . 20 ILE HG22 . 12022 1 192 . 1 1 20 20 ILE HG23 H 1 0.934 0.005 . 1 . . 254 . . 20 ILE HG23 . 12022 1 193 . 1 1 20 20 ILE CA C 13 61.711 . . 1 . . 258 . . 20 ILE CA . 12022 1 194 . 1 1 20 20 ILE CB C 13 38.507 . . 1 . . 259 . . 20 ILE CB . 12022 1 195 . 1 1 20 20 ILE CD1 C 13 13.021 . . 1 . . 253 . . 20 ILE CD1 . 12022 1 196 . 1 1 20 20 ILE CG1 C 13 27.585 . . 1 . . 261 . . 20 ILE CG1 . 12022 1 197 . 1 1 20 20 ILE CG2 C 13 17.418 . . 1 . . 256 . . 20 ILE CG2 . 12022 1 198 . 1 1 20 20 ILE N N 15 122.413 0.008 . 1 . . 7 . . 20 ILE N . 12022 1 199 . 1 1 21 21 GLY H H 1 8.447 0.003 . 1 . . 14 . . 21 GLY H . 12022 1 200 . 1 1 21 21 GLY HA2 H 1 4.086 0.002 . 2 . . 96 . . 21 GLY HA2 . 12022 1 201 . 1 1 21 21 GLY HA3 H 1 3.917 0.005 . 2 . . 97 . . 21 GLY HA3 . 12022 1 202 . 1 1 21 21 GLY N N 15 112.588 0.0 . 1 . . 13 . . 21 GLY N . 12022 1 203 . 1 1 22 22 CYS H H 1 8.304 0.004 . 1 . . 64 . . 22 CYS H . 12022 1 204 . 1 1 22 22 CYS HA H 1 4.685 0.001 . 1 . . 267 . . 22 CYS HA . 12022 1 205 . 1 1 22 22 CYS HB2 H 1 3.284 0.004 . 2 . . 269 . . 22 CYS HB2 . 12022 1 206 . 1 1 22 22 CYS HB3 H 1 3.050 0.002 . 2 . . 271 . . 22 CYS HB3 . 12022 1 207 . 1 1 22 22 CYS CA C 13 56.489 . . 1 . . 268 . . 22 CYS CA . 12022 1 208 . 1 1 22 22 CYS CB C 13 33.757 0.025 . 1 . . 270 . . 22 CYS CB . 12022 1 209 . 1 1 22 22 CYS N N 15 119.833 0.015 . 1 . . 63 . . 22 CYS N . 12022 1 210 . 1 1 23 23 GLY H H 1 8.686 0.002 . 1 . . 36 . . 23 GLY H . 12022 1 211 . 1 1 23 23 GLY HA2 H 1 4.085 0.002 . 2 . . 84 . . 23 GLY HA2 . 12022 1 212 . 1 1 23 23 GLY HA3 H 1 3.990 0.001 . 2 . . 85 . . 23 GLY HA3 . 12022 1 213 . 1 1 23 23 GLY N N 15 112.654 0.013 . 1 . . 35 . . 23 GLY N . 12022 1 214 . 1 1 24 24 GLY H H 1 8.403 0.005 . 1 . . 52 . . 24 GLY H . 12022 1 215 . 1 1 24 24 GLY HA2 H 1 3.994 . . 1 . . 306 . . 24 GLY HA2 . 12022 1 216 . 1 1 24 24 GLY N N 15 108.886 0.003 . 1 . . 51 . . 24 GLY N . 12022 1 217 . 1 1 25 25 GLY H H 1 8.421 0.0 . 1 . . 28 . . 25 GLY H . 12022 1 218 . 1 1 25 25 GLY HA2 H 1 3.919 0.0 . 1 . . 305 . . 25 GLY HA2 . 12022 1 219 . 1 1 25 25 GLY N N 15 109.543 0.01 . 1 . . 27 . . 25 GLY N . 12022 1 220 . 1 1 26 26 ALA H H 1 8.098 0.013 . 1 . . 12 . . 26 ALA H . 12022 1 221 . 1 1 26 26 ALA HA H 1 4.171 0.002 . 1 . . 139 . . 26 ALA HA . 12022 1 222 . 1 1 26 26 ALA HB1 H 1 1.493 0.004 . 1 . . 122 . . 26 ALA HB1 . 12022 1 223 . 1 1 26 26 ALA HB2 H 1 1.493 0.004 . 1 . . 122 . . 26 ALA HB2 . 12022 1 224 . 1 1 26 26 ALA HB3 H 1 1.493 0.004 . 1 . . 122 . . 26 ALA HB3 . 12022 1 225 . 1 1 26 26 ALA CA C 13 54.519 . . 1 . . 140 . . 26 ALA CA . 12022 1 226 . 1 1 26 26 ALA CB C 13 18.566 . . 1 . . 123 . . 26 ALA CB . 12022 1 227 . 1 1 26 26 ALA N N 15 123.216 0.006 . 1 . . 11 . . 26 ALA N . 12022 1 228 . 1 1 27 27 VAL H H 1 8.127 0.003 . 1 . . 34 . . 27 VAL H . 12022 1 229 . 1 1 27 27 VAL HA H 1 3.791 0.004 . 1 . . 206 . . 27 VAL HA . 12022 1 230 . 1 1 27 27 VAL HB H 1 2.076 0.003 . 1 . . 219 . . 27 VAL HB . 12022 1 231 . 1 1 27 27 VAL HG11 H 1 0.978 0.003 . 2 . . 217 . . 27 VAL HG11 . 12022 1 232 . 1 1 27 27 VAL HG12 H 1 0.978 0.003 . 2 . . 217 . . 27 VAL HG12 . 12022 1 233 . 1 1 27 27 VAL HG13 H 1 0.978 0.003 . 2 . . 217 . . 27 VAL HG13 . 12022 1 234 . 1 1 27 27 VAL HG21 H 1 1.063 0.003 . 2 . . 218 . . 27 VAL HG21 . 12022 1 235 . 1 1 27 27 VAL HG22 H 1 1.063 0.003 . 2 . . 218 . . 27 VAL HG22 . 12022 1 236 . 1 1 27 27 VAL HG23 H 1 1.063 0.003 . 2 . . 218 . . 27 VAL HG23 . 12022 1 237 . 1 1 27 27 VAL CA C 13 65.787 . . 1 . . 221 . . 27 VAL CA . 12022 1 238 . 1 1 27 27 VAL CB C 13 31.729 . . 1 . . 220 . . 27 VAL CB . 12022 1 239 . 1 1 27 27 VAL CG1 C 13 20.909 . . 2 . . 272 . . 27 VAL CG1 . 12022 1 240 . 1 1 27 27 VAL CG2 C 13 22.367 . . 2 . . 273 . . 27 VAL CG2 . 12022 1 241 . 1 1 27 27 VAL N N 15 120.001 0.015 . 1 . . 33 . . 27 VAL N . 12022 1 242 . 1 1 28 28 ALA H H 1 8.046 0.0 . 1 . . 6 . . 28 ALA H . 12022 1 243 . 1 1 28 28 ALA HA H 1 4.267 0.002 . 1 . . 120 . . 28 ALA HA . 12022 1 244 . 1 1 28 28 ALA HB1 H 1 1.533 0.003 . 1 . . 119 . . 28 ALA HB1 . 12022 1 245 . 1 1 28 28 ALA HB2 H 1 1.533 0.003 . 1 . . 119 . . 28 ALA HB2 . 12022 1 246 . 1 1 28 28 ALA HB3 H 1 1.533 0.003 . 1 . . 119 . . 28 ALA HB3 . 12022 1 247 . 1 1 28 28 ALA CA C 13 55.296 . . 1 . . 124 . . 28 ALA CA . 12022 1 248 . 1 1 28 28 ALA CB C 13 18.388 . . 1 . . 121 . . 28 ALA CB . 12022 1 249 . 1 1 28 28 ALA N N 15 123.013 0.007 . 1 . . 5 . . 28 ALA N . 12022 1 250 . 1 1 29 29 CYS H H 1 8.311 0.0 . 1 . . 30 . . 29 CYS H . 12022 1 251 . 1 1 29 29 CYS HA H 1 4.466 0.004 . 1 . . 100 . . 29 CYS HA . 12022 1 252 . 1 1 29 29 CYS HB2 H 1 3.219 0.007 . 2 . . 102 . . 29 CYS HB2 . 12022 1 253 . 1 1 29 29 CYS HB3 H 1 3.097 0.004 . 2 . . 103 . . 29 CYS HB3 . 12022 1 254 . 1 1 29 29 CYS CA C 13 56.826 . . 1 . . 104 . . 29 CYS CA . 12022 1 255 . 1 1 29 29 CYS CB C 13 38.753 . . 1 . . 101 . . 29 CYS CB . 12022 1 256 . 1 1 29 29 CYS N N 15 114.403 0.006 . 1 . . 29 . . 29 CYS N . 12022 1 257 . 1 1 30 30 GLN H H 1 8.139 0.001 . 1 . . 60 . . 30 GLN H . 12022 1 258 . 1 1 30 30 GLN HA H 1 4.103 0.002 . 1 . . 207 . . 30 GLN HA . 12022 1 259 . 1 1 30 30 GLN HB2 H 1 2.237 0.004 . 1 . . 209 . . 30 GLN HB2 . 12022 1 260 . 1 1 30 30 GLN HE21 H 1 6.878 0.002 . 1 . . 302 . . 30 GLN HE21 . 12022 1 261 . 1 1 30 30 GLN HE22 H 1 7.446 0.0 . 1 . . 303 . . 30 GLN HE22 . 12022 1 262 . 1 1 30 30 GLN HG2 H 1 2.433 0.002 . 1 . . 211 . . 30 GLN HG2 . 12022 1 263 . 1 1 30 30 GLN HG3 H 1 2.433 0.002 . 1 . . 211 . . 30 GLN HG3 . 12022 1 264 . 1 1 30 30 GLN CA C 13 59.035 . . 1 . . 208 . . 30 GLN CA . 12022 1 265 . 1 1 30 30 GLN CB C 13 28.038 . . 1 . . 210 . . 30 GLN CB . 12022 1 266 . 1 1 30 30 GLN CG C 13 33.456 . . 1 . . 212 . . 30 GLN CG . 12022 1 267 . 1 1 30 30 GLN N N 15 121.596 0.011 . 1 . . 59 . . 30 GLN N . 12022 1 268 . 1 1 30 30 GLN NE2 N 15 111.594 . . 1 . . 304 . . 30 GLN NE2 . 12022 1 269 . 1 1 31 31 ASN H H 1 8.751 0.001 . 1 . . 4 . . 31 ASN H . 12022 1 270 . 1 1 31 31 ASN HA H 1 4.553 0.002 . 1 . . 81 . . 31 ASN HA . 12022 1 271 . 1 1 31 31 ASN HB2 H 1 2.860 0.007 . 2 . . 82 . . 31 ASN HB2 . 12022 1 272 . 1 1 31 31 ASN HB3 H 1 3.038 0.004 . 2 . . 83 . . 31 ASN HB3 . 12022 1 273 . 1 1 31 31 ASN HD21 H 1 7.114 0.001 . 1 . . 230 . . 31 ASN HD21 . 12022 1 274 . 1 1 31 31 ASN HD22 H 1 7.443 0.001 . 1 . . 231 . . 31 ASN HD22 . 12022 1 275 . 1 1 31 31 ASN CA C 13 55.741 . . 1 . . 234 . . 31 ASN CA . 12022 1 276 . 1 1 31 31 ASN CB C 13 38.380 0.0 . 1 . . 235 . . 31 ASN CB . 12022 1 277 . 1 1 31 31 ASN N N 15 119.205 0.005 . 1 . . 3 . . 31 ASN N . 12022 1 278 . 1 1 31 31 ASN ND2 N 15 111.567 0.012 . 1 . . 229 . . 31 ASN ND2 . 12022 1 279 . 1 1 32 32 TYR H H 1 8.888 0.001 . 1 . . 46 . . 32 TYR H . 12022 1 280 . 1 1 32 32 TYR HA H 1 3.916 0.004 . 1 . . 74 . . 32 TYR HA . 12022 1 281 . 1 1 32 32 TYR HB2 H 1 3.389 0.005 . 2 . . 75 . . 32 TYR HB2 . 12022 1 282 . 1 1 32 32 TYR HB3 H 1 3.219 0.006 . 2 . . 76 . . 32 TYR HB3 . 12022 1 283 . 1 1 32 32 TYR HD1 H 1 7.294 0.002 . 1 . . 177 . . 32 TYR HD1 . 12022 1 284 . 1 1 32 32 TYR HD2 H 1 7.294 0.002 . 1 . . 177 . . 32 TYR HD2 . 12022 1 285 . 1 1 32 32 TYR HE1 H 1 6.908 0.004 . 1 . . 179 . . 32 TYR HE1 . 12022 1 286 . 1 1 32 32 TYR HE2 H 1 6.908 0.004 . 1 . . 179 . . 32 TYR HE2 . 12022 1 287 . 1 1 32 32 TYR CA C 13 62.979 . . 1 . . 186 . . 32 TYR CA . 12022 1 288 . 1 1 32 32 TYR CB C 13 38.612 0.058 . 1 . . 185 . . 32 TYR CB . 12022 1 289 . 1 1 32 32 TYR CD1 C 13 133.311 . . 1 . . 178 . . 32 TYR CD1 . 12022 1 290 . 1 1 32 32 TYR CD2 C 13 133.311 . . 1 . . 178 . . 32 TYR CD2 . 12022 1 291 . 1 1 32 32 TYR CE1 C 13 119.098 . . 1 . . 180 . . 32 TYR CE1 . 12022 1 292 . 1 1 32 32 TYR CE2 C 13 119.098 . . 1 . . 180 . . 32 TYR CE2 . 12022 1 293 . 1 1 32 32 TYR N N 15 122.251 0.006 . 1 . . 45 . . 32 TYR N . 12022 1 294 . 1 1 33 33 ARG H H 1 8.078 0.002 . 1 . . 48 . . 33 ARG H . 12022 1 295 . 1 1 33 33 ARG HA H 1 3.924 0.01 . 1 . . 142 . . 33 ARG HA . 12022 1 296 . 1 1 33 33 ARG HB2 H 1 2.027 0.002 . 2 . . 143 . . 33 ARG HB2 . 12022 1 297 . 1 1 33 33 ARG HB3 H 1 1.963 0.004 . 2 . . 144 . . 33 ARG HB3 . 12022 1 298 . 1 1 33 33 ARG HD2 H 1 3.304 0.003 . 2 . . 190 . . 33 ARG HD2 . 12022 1 299 . 1 1 33 33 ARG HD3 H 1 3.244 0.007 . 2 . . 191 . . 33 ARG HD3 . 12022 1 300 . 1 1 33 33 ARG HG2 H 1 1.728 0.004 . 2 . . 188 . . 33 ARG HG2 . 12022 1 301 . 1 1 33 33 ARG HG3 H 1 1.966 0.002 . 2 . . 189 . . 33 ARG HG3 . 12022 1 302 . 1 1 33 33 ARG CA C 13 59.114 . . 1 . . 187 . . 33 ARG CA . 12022 1 303 . 1 1 33 33 ARG CB C 13 30.083 0.033 . 1 . . 145 . . 33 ARG CB . 12022 1 304 . 1 1 33 33 ARG CD C 13 43.485 0.011 . 1 . . 233 . . 33 ARG CD . 12022 1 305 . 1 1 33 33 ARG CG C 13 28.275 0.0 . 1 . . 232 . . 33 ARG CG . 12022 1 306 . 1 1 33 33 ARG N N 15 117.079 0.006 . 1 . . 47 . . 33 ARG N . 12022 1 307 . 1 1 34 34 GLN H H 1 7.723 0.007 . 1 . . 56 . . 34 GLN H . 12022 1 308 . 1 1 34 34 GLN HA H 1 3.970 0.003 . 1 . . 157 . . 34 GLN HA . 12022 1 309 . 1 1 34 34 GLN HB2 H 1 1.311 0.003 . 2 . . 192 . . 34 GLN HB2 . 12022 1 310 . 1 1 34 34 GLN HB3 H 1 1.704 0.003 . 2 . . 194 . . 34 GLN HB3 . 12022 1 311 . 1 1 34 34 GLN HE21 H 1 6.973 0.001 . 1 . . 296 . . 34 GLN HE21 . 12022 1 312 . 1 1 34 34 GLN HE22 H 1 6.794 0.001 . 1 . . 298 . . 34 GLN HE22 . 12022 1 313 . 1 1 34 34 GLN HG2 H 1 1.937 0.006 . 2 . . 196 . . 34 GLN HG2 . 12022 1 314 . 1 1 34 34 GLN HG3 H 1 1.706 0.004 . 2 . . 197 . . 34 GLN HG3 . 12022 1 315 . 1 1 34 34 GLN CA C 13 58.174 . . 1 . . 195 . . 34 GLN CA . 12022 1 316 . 1 1 34 34 GLN CB C 13 29.020 . . 1 . . 193 . . 34 GLN CB . 12022 1 317 . 1 1 34 34 GLN CG C 13 33.325 . . 1 . . 198 . . 34 GLN CG . 12022 1 318 . 1 1 34 34 GLN N N 15 115.631 0.005 . 1 . . 55 . . 34 GLN N . 12022 1 319 . 1 1 34 34 GLN NE2 N 15 110.970 0.011 . 1 . . 297 . . 34 GLN NE2 . 12022 1 320 . 1 1 35 35 PHE H H 1 8.001 0.001 . 1 . . 2 . . 35 PHE H . 12022 1 321 . 1 1 35 35 PHE HA H 1 5.000 0.005 . 1 . . 71 . . 35 PHE HA . 12022 1 322 . 1 1 35 35 PHE HB2 H 1 3.366 0.005 . 2 . . 72 . . 35 PHE HB2 . 12022 1 323 . 1 1 35 35 PHE HB3 H 1 2.895 0.005 . 2 . . 73 . . 35 PHE HB3 . 12022 1 324 . 1 1 35 35 PHE HD1 H 1 7.354 0.002 . 1 . . 175 . . 35 PHE HD1 . 12022 1 325 . 1 1 35 35 PHE HD2 H 1 7.354 0.002 . 1 . . 175 . . 35 PHE HD2 . 12022 1 326 . 1 1 35 35 PHE HE1 H 1 7.296 0.003 . 1 . . 181 . . 35 PHE HE1 . 12022 1 327 . 1 1 35 35 PHE HE2 H 1 7.296 0.003 . 1 . . 181 . . 35 PHE HE2 . 12022 1 328 . 1 1 35 35 PHE HZ H 1 7.355 . . 1 . . 183 . . 35 PHE HZ . 12022 1 329 . 1 1 35 35 PHE CA C 13 58.241 . . 1 . . 117 . . 35 PHE CA . 12022 1 330 . 1 1 35 35 PHE CB C 13 41.569 0.013 . 1 . . 116 . . 35 PHE CB . 12022 1 331 . 1 1 35 35 PHE CD1 C 13 131.509 . . 1 . . 176 . . 35 PHE CD1 . 12022 1 332 . 1 1 35 35 PHE CD2 C 13 131.509 . . 1 . . 176 . . 35 PHE CD2 . 12022 1 333 . 1 1 35 35 PHE CE1 C 13 130.341 . . 1 . . 182 . . 35 PHE CE1 . 12022 1 334 . 1 1 35 35 PHE CE2 C 13 130.341 . . 1 . . 182 . . 35 PHE CE2 . 12022 1 335 . 1 1 35 35 PHE CZ C 13 131.721 . . 1 . . 184 . . 35 PHE CZ . 12022 1 336 . 1 1 35 35 PHE N N 15 113.327 0.007 . 1 . . 1 . . 35 PHE N . 12022 1 337 . 1 1 36 36 CYS H H 1 8.106 0.008 . 1 . . 68 . . 36 CYS H . 12022 1 338 . 1 1 36 36 CYS HA H 1 4.875 0.001 . 1 . . 112 . . 36 CYS HA . 12022 1 339 . 1 1 36 36 CYS HB2 H 1 2.157 0.004 . 2 . . 113 . . 36 CYS HB2 . 12022 1 340 . 1 1 36 36 CYS HB3 H 1 2.630 0.003 . 2 . . 114 . . 36 CYS HB3 . 12022 1 341 . 1 1 36 36 CYS CA C 13 55.509 . . 1 . . 118 . . 36 CYS CA . 12022 1 342 . 1 1 36 36 CYS CB C 13 42.749 0.016 . 1 . . 115 . . 36 CYS CB . 12022 1 343 . 1 1 36 36 CYS N N 15 117.568 0.005 . 1 . . 67 . . 36 CYS N . 12022 1 344 . 1 1 37 37 ARG H H 1 7.526 0.003 . 1 . . 22 . . 37 ARG H . 12022 1 345 . 1 1 37 37 ARG HA H 1 4.161 0.005 . 1 . . 109 . . 37 ARG HA . 12022 1 346 . 1 1 37 37 ARG HB2 H 1 1.764 0.001 . 2 . . 159 . . 37 ARG HB2 . 12022 1 347 . 1 1 37 37 ARG HB3 H 1 1.888 0.004 . 2 . . 160 . . 37 ARG HB3 . 12022 1 348 . 1 1 37 37 ARG HD2 H 1 3.248 0.005 . 1 . . 110 . . 37 ARG HD2 . 12022 1 349 . 1 1 37 37 ARG HG2 H 1 1.530 0.006 . 2 . . 161 . . 37 ARG HG2 . 12022 1 350 . 1 1 37 37 ARG HG3 H 1 1.602 0.005 . 2 . . 162 . . 37 ARG HG3 . 12022 1 351 . 1 1 37 37 ARG CA C 13 57.184 . . 1 . . 158 . . 37 ARG CA . 12022 1 352 . 1 1 37 37 ARG CB C 13 31.560 0.015 . 1 . . 164 . . 37 ARG CB . 12022 1 353 . 1 1 37 37 ARG CD C 13 43.497 . . 1 . . 111 . . 37 ARG CD . 12022 1 354 . 1 1 37 37 ARG CG C 13 27.081 . . 1 . . 163 . . 37 ARG CG . 12022 1 355 . 1 1 37 37 ARG N N 15 125.986 0.005 . 1 . . 21 . . 37 ARG N . 12022 1 stop_ save_