################################### # 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 17538 _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 NOESY' . . . 17538 1 2 '2D 1H-1H TOCSY' . . . 17538 1 5 '2D 1H-15N HSQC' . . . 17538 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 5 5 GLY HA3 H 1 3.926 0.000 . 2 . . . A 230 GLY HA3 . 17538 1 2 . 1 1 5 5 GLY H H 1 8.005 0.002 . 1 . . . A 230 GLY HN . 17538 1 3 . 1 1 5 5 GLY CA C 13 41.884 0.160 . 1 . . . A 230 GLY CA . 17538 1 4 . 1 1 5 5 GLY N N 15 110.167 0.017 . 1 . . . A 230 GLY N . 17538 1 5 . 1 1 6 6 PRO HA H 1 4.260 0.000 . 1 . . . A 231 PRO HA . 17538 1 6 . 1 1 6 6 PRO HB2 H 1 1.822 0.000 . 2 . . . A 231 PRO HB2 . 17538 1 7 . 1 1 6 6 PRO HG2 H 1 2.079 0.000 . 2 . . . A 231 PRO HG2 . 17538 1 8 . 1 1 6 6 PRO HD2 H 1 3.370 0.002 . 2 . . . A 231 PRO HD2 . 17538 1 9 . 1 1 6 6 PRO HD3 H 1 2.746 0.000 . 2 . . . A 231 PRO HD3 . 17538 1 10 . 1 1 6 6 PRO CA C 13 60.170 0.000 . 1 . . . A 231 PRO CA . 17538 1 11 . 1 1 6 6 PRO CB C 13 29.650 0.000 . 1 . . . A 231 PRO CB . 17538 1 12 . 1 1 7 7 LEU HA H 1 3.962 0.004 . 1 . . . A 232 LEU HA . 17538 1 13 . 1 1 7 7 LEU HB2 H 1 1.585 0.000 . 2 . . . A 232 LEU HB2 . 17538 1 14 . 1 1 7 7 LEU HG H 1 1.165 0.000 . 1 . . . A 232 LEU HG . 17538 1 15 . 1 1 7 7 LEU HD11 H 1 0.860 0.000 . 1 . . . A 232 LEU HD12 . 17538 1 16 . 1 1 7 7 LEU HD12 H 1 0.860 0.000 . 1 . . . A 232 LEU HD12 . 17538 1 17 . 1 1 7 7 LEU HD13 H 1 0.860 0.000 . 1 . . . A 232 LEU HD12 . 17538 1 18 . 1 1 7 7 LEU HD21 H 1 0.561 0.000 . 1 . . . A 232 LEU HD22 . 17538 1 19 . 1 1 7 7 LEU HD22 H 1 0.561 0.000 . 1 . . . A 232 LEU HD22 . 17538 1 20 . 1 1 7 7 LEU HD23 H 1 0.561 0.000 . 1 . . . A 232 LEU HD22 . 17538 1 21 . 1 1 7 7 LEU H H 1 8.585 0.000 . 1 . . . A 232 LEU HN . 17538 1 22 . 1 1 7 7 LEU CA C 13 51.060 0.004 . 1 . . . A 232 LEU CA . 17538 1 23 . 1 1 7 7 LEU CB C 13 38.370 0.000 . 1 . . . A 232 LEU CB . 17538 1 24 . 1 1 7 7 LEU N N 15 122.542 0.000 . 1 . . . A 232 LEU N . 17538 1 25 . 1 1 8 8 PRO HA H 1 4.288 0.000 . 1 . . . A 233 PRO HA . 17538 1 26 . 1 1 8 8 PRO HB2 H 1 2.231 0.000 . 1 . . . A 233 PRO HB2 . 17538 1 27 . 1 1 8 8 PRO HB3 H 1 1.796 0.000 . 2 . . . A 233 PRO HB3 . 17538 1 28 . 1 1 8 8 PRO HG2 H 1 1.580 0.000 . 2 . . . A 233 PRO HG2 . 17538 1 29 . 1 1 8 8 PRO HG3 H 1 1.381 0.000 . 2 . . . A 233 PRO HG3 . 17538 1 30 . 1 1 8 8 PRO HD2 H 1 3.192 0.000 . 2 . . . A 233 PRO HD2 . 17538 1 31 . 1 1 8 8 PRO HD3 H 1 2.756 0.000 . 2 . . . A 233 PRO HD3 . 17538 1 32 . 1 1 8 8 PRO CA C 13 59.649 0.000 . 1 . . . A 233 PRO CA . 17538 1 33 . 1 1 8 8 PRO CB C 13 28.869 0.000 . 1 . . . A 233 PRO CB . 17538 1 34 . 1 1 9 9 ASP HA H 1 4.198 0.001 . 1 . . . A 234 ASP HA . 17538 1 35 . 1 1 9 9 ASP HB2 H 1 2.509 0.000 . 1 . . . A 234 ASP HB2 . 17538 1 36 . 1 1 9 9 ASP HB3 H 1 2.391 0.000 . 1 . . . A 234 ASP HB3 . 17538 1 37 . 1 1 9 9 ASP H H 1 8.296 0.000 . 1 . . . A 234 ASP HN . 17538 1 38 . 1 1 9 9 ASP CA C 13 53.826 0.000 . 1 . . . A 234 ASP CA . 17538 1 39 . 1 1 9 9 ASP CB C 13 38.794 0.000 . 1 . . . A 234 ASP CB . 17538 1 40 . 1 1 9 9 ASP N N 15 119.934 0.000 . 1 . . . A 234 ASP N . 17538 1 41 . 1 1 10 10 GLY HA2 H 1 3.502 0.000 . 2 . . . A 235 GLY HA2 . 17538 1 42 . 1 1 10 10 GLY HA3 H 1 3.957 0.003 . 2 . . . A 235 GLY HA3 . 17538 1 43 . 1 1 10 10 GLY H H 1 8.645 0.006 . 1 . . . A 235 GLY HN . 17538 1 44 . 1 1 10 10 GLY CA C 13 42.827 0.000 . 1 . . . A 235 GLY CA . 17538 1 45 . 1 1 10 10 GLY N N 15 112.914 0.000 . 1 . . . A 235 GLY N . 17538 1 46 . 1 1 11 11 TRP HA H 1 5.602 0.003 . 1 . . . A 236 TRP HA . 17538 1 47 . 1 1 11 11 TRP HB2 H 1 3.087 0.000 . 2 . . . A 236 TRP HB2 . 17538 1 48 . 1 1 11 11 TRP HB3 H 1 2.784 0.005 . 2 . . . A 236 TRP HB3 . 17538 1 49 . 1 1 11 11 TRP HD1 H 1 6.820 0.001 . 1 . . . A 236 TRP HD1 . 17538 1 50 . 1 1 11 11 TRP HE1 H 1 10.256 0.000 . 1 . . . A 236 TRP HE1 . 17538 1 51 . 1 1 11 11 TRP HE3 H 1 7.187 0.001 . 1 . . . A 236 TRP HE3 . 17538 1 52 . 1 1 11 11 TRP HZ2 H 1 7.285 0.000 . 1 . . . A 236 TRP HZ2 . 17538 1 53 . 1 1 11 11 TRP HZ3 H 1 6.594 0.000 . 1 . . . A 236 TRP HZ3 . 17538 1 54 . 1 1 11 11 TRP HH2 H 1 6.920 0.000 . 1 . . . A 236 TRP HH2 . 17538 1 55 . 1 1 11 11 TRP H H 1 7.717 0.000 . 1 . . . A 236 TRP HN . 17538 1 56 . 1 1 11 11 TRP CA C 13 53.630 0.051 . 1 . . . A 236 TRP CA . 17538 1 57 . 1 1 11 11 TRP CB C 13 29.455 0.142 . 1 . . . A 236 TRP CB . 17538 1 58 . 1 1 11 11 TRP N N 15 117.959 0.000 . 1 . . . A 236 TRP N . 17538 1 59 . 1 1 12 12 GLU HA H 1 4.557 0.000 . 1 . . . A 237 GLU HA . 17538 1 60 . 1 1 12 12 GLU HB2 H 1 1.708 0.000 . 2 . . . A 237 GLU HB2 . 17538 1 61 . 1 1 12 12 GLU HB3 H 1 0.858 0.000 . 2 . . . A 237 GLU HB3 . 17538 1 62 . 1 1 12 12 GLU HG2 H 1 2.068 0.000 . 2 . . . A 237 GLU HG2 . 17538 1 63 . 1 1 12 12 GLU HG3 H 1 1.830 0.000 . 2 . . . A 237 GLU HG3 . 17538 1 64 . 1 1 12 12 GLU H H 1 9.347 0.000 . 1 . . . A 237 GLU HN . 17538 1 65 . 1 1 12 12 GLU CA C 13 52.556 0.000 . 1 . . . A 237 GLU CA . 17538 1 66 . 1 1 12 12 GLU CB C 13 32.156 0.000 . 1 . . . A 237 GLU CB . 17538 1 67 . 1 1 12 12 GLU N N 15 121.108 0.000 . 1 . . . A 237 GLU N . 17538 1 68 . 1 1 13 13 GLN HA H 1 4.320 0.006 . 1 . . . A 238 GLN HA . 17538 1 69 . 1 1 13 13 GLN HB2 H 1 1.792 0.000 . 2 . . . A 238 GLN HB2 . 17538 1 70 . 1 1 13 13 GLN HB3 H 1 1.724 0.000 . 2 . . . A 238 GLN HB3 . 17538 1 71 . 1 1 13 13 GLN HG2 H 1 1.943 0.000 . 2 . . . A 238 GLN HG2 . 17538 1 72 . 1 1 13 13 GLN HG3 H 1 1.908 0.000 . 2 . . . A 238 GLN HG3 . 17538 1 73 . 1 1 13 13 GLN HE21 H 1 7.130 0.000 . 1 . . . A 238 GLN HE21 . 17538 1 74 . 1 1 13 13 GLN HE22 H 1 6.887 0.000 . 1 . . . A 238 GLN HE22 . 17538 1 75 . 1 1 13 13 GLN H H 1 8.818 0.000 . 1 . . . A 238 GLN HN . 17538 1 76 . 1 1 13 13 GLN CA C 13 53.077 0.000 . 1 . . . A 238 GLN CA . 17538 1 77 . 1 1 13 13 GLN CB C 13 28.414 0.003 . 1 . . . A 238 GLN CB . 17538 1 78 . 1 1 13 13 GLN N N 15 125.179 0.000 . 1 . . . A 238 GLN N . 17538 1 79 . 1 1 14 14 ALA HA H 1 4.191 0.002 . 1 . . . A 239 ALA HA . 17538 1 80 . 1 1 14 14 ALA HB1 H 1 0.276 0.000 . 1 . . . A 239 ALA HB2 . 17538 1 81 . 1 1 14 14 ALA HB2 H 1 0.276 0.000 . 1 . . . A 239 ALA HB2 . 17538 1 82 . 1 1 14 14 ALA HB3 H 1 0.276 0.000 . 1 . . . A 239 ALA HB2 . 17538 1 83 . 1 1 14 14 ALA H H 1 8.546 0.000 . 1 . . . A 239 ALA HN . 17538 1 84 . 1 1 14 14 ALA CA C 13 48.196 0.001 . 1 . . . A 239 ALA CA . 17538 1 85 . 1 1 14 14 ALA CB C 13 19.629 0.000 . 1 . . . A 239 ALA CB . 17538 1 86 . 1 1 14 14 ALA N N 15 131.427 0.000 . 1 . . . A 239 ALA N . 17538 1 87 . 1 1 15 15 MET HA H 1 5.348 0.000 . 1 . . . A 240 MET HA . 17538 1 88 . 1 1 15 15 MET HB2 H 1 1.706 0.000 . 1 . . . A 240 MET HB2 . 17538 1 89 . 1 1 15 15 MET HB3 H 1 1.587 0.000 . 1 . . . A 240 MET HB3 . 17538 1 90 . 1 1 15 15 MET HG2 H 1 2.415 0.000 . 2 . . . A 240 MET HG2 . 17538 1 91 . 1 1 15 15 MET HG3 H 1 2.076 0.000 . 2 . . . A 240 MET HG3 . 17538 1 92 . 1 1 15 15 MET HE1 H 1 2.403 0.000 . 1 . . . A 240 MET HE2 . 17538 1 93 . 1 1 15 15 MET HE2 H 1 2.403 0.000 . 1 . . . A 240 MET HE2 . 17538 1 94 . 1 1 15 15 MET HE3 H 1 2.403 0.000 . 1 . . . A 240 MET HE2 . 17538 1 95 . 1 1 15 15 MET H H 1 7.887 0.058 . 1 . . . A 240 MET HN . 17538 1 96 . 1 1 15 15 MET CA C 13 51.450 0.000 . 1 . . . A 240 MET CA . 17538 1 97 . 1 1 15 15 MET CB C 13 34.270 0.000 . 1 . . . A 240 MET CB . 17538 1 98 . 1 1 15 15 MET N N 15 116.730 0.000 . 1 . . . A 240 MET N . 17538 1 99 . 1 1 16 16 THR HA H 1 4.488 0.001 . 1 . . . A 241 THR HA . 17538 1 100 . 1 1 16 16 THR HB H 1 4.694 0.000 . 1 . . . A 241 THR HB . 17538 1 101 . 1 1 16 16 THR HG1 H 1 6.775 0.000 . 1 . . . A 241 THR HG1 . 17538 1 102 . 1 1 16 16 THR HG21 H 1 1.291 0.000 . 1 . . . A 241 THR HG22 . 17538 1 103 . 1 1 16 16 THR HG22 H 1 1.291 0.000 . 1 . . . A 241 THR HG22 . 17538 1 104 . 1 1 16 16 THR HG23 H 1 1.291 0.000 . 1 . . . A 241 THR HG22 . 17538 1 105 . 1 1 16 16 THR H H 1 9.457 0.000 . 1 . . . A 241 THR HN . 17538 1 106 . 1 1 16 16 THR CA C 13 58.608 0.004 . 1 . . . A 241 THR CA . 17538 1 107 . 1 1 16 16 THR CB C 13 69.346 0.000 . 1 . . . A 241 THR CB . 17538 1 108 . 1 1 16 16 THR N N 15 116.448 0.000 . 1 . . . A 241 THR N . 17538 1 109 . 1 1 17 17 GLN HA H 1 3.964 0.000 . 1 . . . A 242 GLN HA . 17538 1 110 . 1 1 17 17 GLN HB2 H 1 2.044 0.000 . 2 . . . A 242 GLN HB2 . 17538 1 111 . 1 1 17 17 GLN HB3 H 1 1.950 0.000 . 2 . . . A 242 GLN HB3 . 17538 1 112 . 1 1 17 17 GLN HG2 H 1 2.380 0.001 . 2 . . . A 242 GLN HG2 . 17538 1 113 . 1 1 17 17 GLN HG3 H 1 2.234 0.000 . 2 . . . A 242 GLN HG3 . 17538 1 114 . 1 1 17 17 GLN HE21 H 1 7.506 0.000 . 1 . . . A 242 GLN HE21 . 17538 1 115 . 1 1 17 17 GLN HE22 H 1 6.732 0.000 . 1 . . . A 242 GLN HE22 . 17538 1 116 . 1 1 17 17 GLN H H 1 9.451 0.000 . 1 . . . A 242 GLN HN . 17538 1 117 . 1 1 17 17 GLN CA C 13 55.940 0.000 . 1 . . . A 242 GLN CA . 17538 1 118 . 1 1 17 17 GLN CB C 13 25.550 0.000 . 1 . . . A 242 GLN CB . 17538 1 119 . 1 1 18 18 ASP HA H 1 4.610 0.000 . 1 . . . A 243 ASP HA . 17538 1 120 . 1 1 18 18 ASP HB2 H 1 2.651 0.000 . 2 . . . A 243 ASP HB2 . 17538 1 121 . 1 1 18 18 ASP HB3 H 1 2.329 0.000 . 2 . . . A 243 ASP HB3 . 17538 1 122 . 1 1 18 18 ASP H H 1 7.491 0.000 . 1 . . . A 243 ASP HN . 17538 1 123 . 1 1 18 18 ASP CA C 13 51.385 0.000 . 1 . . . A 243 ASP CA . 17538 1 124 . 1 1 18 18 ASP CB C 13 38.467 0.000 . 1 . . . A 243 ASP CB . 17538 1 125 . 1 1 18 18 ASP N N 15 115.321 0.000 . 1 . . . A 243 ASP N . 17538 1 126 . 1 1 19 19 GLY HA2 H 1 3.593 0.000 . 1 . . . A 244 GLY HA2 . 17538 1 127 . 1 1 19 19 GLY HA3 H 1 3.965 0.000 . 1 . . . A 244 GLY HA3 . 17538 1 128 . 1 1 19 19 GLY H H 1 7.822 0.000 . 1 . . . A 244 GLY HN . 17538 1 129 . 1 1 19 19 GLY CA C 13 43.446 0.000 . 1 . . . A 244 GLY CA . 17538 1 130 . 1 1 19 19 GLY N N 15 108.485 0.002 . 1 . . . A 244 GLY N . 17538 1 131 . 1 1 20 20 GLU HA H 1 4.299 0.000 . 1 . . . A 245 GLU HA . 17538 1 132 . 1 1 20 20 GLU HB2 H 1 2.031 0.000 . 2 . . . A 245 GLU HB2 . 17538 1 133 . 1 1 20 20 GLU HB3 H 1 1.731 0.000 . 1 . . . A 245 GLU HB3 . 17538 1 134 . 1 1 20 20 GLU HG2 H 1 2.397 0.001 . 1 . . . A 245 GLU HG2 . 17538 1 135 . 1 1 20 20 GLU H H 1 7.542 0.000 . 1 . . . A 245 GLU HN . 17538 1 136 . 1 1 20 20 GLU CA C 13 52.979 0.000 . 1 . . . A 245 GLU CA . 17538 1 137 . 1 1 20 20 GLU CB C 13 27.763 0.000 . 1 . . . A 245 GLU CB . 17538 1 138 . 1 1 20 20 GLU N N 15 119.367 0.000 . 1 . . . A 245 GLU N . 17538 1 139 . 1 1 21 21 ILE HA H 1 4.436 0.000 . 1 . . . A 246 ILE HA . 17538 1 140 . 1 1 21 21 ILE HB H 1 1.564 0.000 . 1 . . . A 246 ILE HB . 17538 1 141 . 1 1 21 21 ILE HG12 H 1 0.874 0.000 . 2 . . . A 246 ILE HG12 . 17538 1 142 . 1 1 21 21 ILE HG13 H 1 0.915 0.000 . 2 . . . A 246 ILE HG13 . 17538 1 143 . 1 1 21 21 ILE HG21 H 1 0.472 0.000 . 1 . . . A 246 ILE HG22 . 17538 1 144 . 1 1 21 21 ILE HG22 H 1 0.472 0.000 . 1 . . . A 246 ILE HG22 . 17538 1 145 . 1 1 21 21 ILE HG23 H 1 0.472 0.000 . 1 . . . A 246 ILE HG22 . 17538 1 146 . 1 1 21 21 ILE HD11 H 1 0.630 0.000 . 1 . . . A 246 ILE HD12 . 17538 1 147 . 1 1 21 21 ILE HD12 H 1 0.630 0.000 . 1 . . . A 246 ILE HD12 . 17538 1 148 . 1 1 21 21 ILE HD13 H 1 0.630 0.000 . 1 . . . A 246 ILE HD12 . 17538 1 149 . 1 1 21 21 ILE H H 1 8.546 0.000 . 1 . . . A 246 ILE HN . 17538 1 150 . 1 1 21 21 ILE CA C 13 58.934 0.007 . 1 . . . A 246 ILE CA . 17538 1 151 . 1 1 21 21 ILE CB C 13 35.994 0.000 . 1 . . . A 246 ILE CB . 17538 1 152 . 1 1 21 21 ILE N N 15 126.460 0.000 . 1 . . . A 246 ILE N . 17538 1 153 . 1 1 22 22 TYR HA H 1 4.321 0.000 . 1 . . . A 247 TYR HA . 17538 1 154 . 1 1 22 22 TYR HD2 H 1 6.069 0.000 . 1 . . . A 247 TYR HD2 . 17538 1 155 . 1 1 22 22 TYR HE2 H 1 6.514 0.000 . 1 . . . A 247 TYR HE2 . 17538 1 156 . 1 1 22 22 TYR H H 1 8.340 0.003 . 1 . . . A 247 TYR HN . 17538 1 157 . 1 1 22 22 TYR CA C 13 53.467 0.000 . 1 . . . A 247 TYR CA . 17538 1 158 . 1 1 22 22 TYR CB C 13 37.231 0.039 . 1 . . . A 247 TYR CB . 17538 1 159 . 1 1 22 22 TYR N N 15 123.977 0.000 . 1 . . . A 247 TYR N . 17538 1 160 . 1 1 23 23 TYR HA H 1 5.008 0.007 . 1 . . . A 248 TYR HA . 17538 1 161 . 1 1 23 23 TYR HB2 H 1 2.923 0.000 . 2 . . . A 248 TYR HB2 . 17538 1 162 . 1 1 23 23 TYR HB3 H 1 2.627 0.000 . 2 . . . A 248 TYR HB3 . 17538 1 163 . 1 1 23 23 TYR HD2 H 1 6.572 0.000 . 1 . . . A 248 TYR HD2 . 17538 1 164 . 1 1 23 23 TYR HE2 H 1 6.474 0.000 . 1 . . . A 248 TYR HE2 . 17538 1 165 . 1 1 23 23 TYR H H 1 8.737 0.000 . 1 . . . A 248 TYR HN . 17538 1 166 . 1 1 23 23 TYR CA C 13 54.736 0.000 . 1 . . . A 248 TYR CA . 17538 1 167 . 1 1 23 23 TYR CB C 13 39.607 0.000 . 1 . . . A 248 TYR CB . 17538 1 168 . 1 1 23 23 TYR N N 15 115.680 0.002 . 1 . . . A 248 TYR N . 17538 1 169 . 1 1 24 24 ILE HA H 1 4.209 0.002 . 1 . . . A 249 ILE HA . 17538 1 170 . 1 1 24 24 ILE HB H 1 1.837 0.000 . 1 . . . A 249 ILE HB . 17538 1 171 . 1 1 24 24 ILE HG12 H 1 1.181 0.000 . 2 . . . A 249 ILE HG12 . 17538 1 172 . 1 1 24 24 ILE HG13 H 1 1.008 0.000 . 2 . . . A 249 ILE HG13 . 17538 1 173 . 1 1 24 24 ILE HG21 H 1 0.391 0.000 . 1 . . . A 249 ILE HG22 . 17538 1 174 . 1 1 24 24 ILE HG22 H 1 0.391 0.000 . 1 . . . A 249 ILE HG22 . 17538 1 175 . 1 1 24 24 ILE HG23 H 1 0.391 0.000 . 1 . . . A 249 ILE HG22 . 17538 1 176 . 1 1 24 24 ILE HD11 H 1 0.166 0.000 . 1 . . . A 249 ILE HD12 . 17538 1 177 . 1 1 24 24 ILE HD12 H 1 0.166 0.000 . 1 . . . A 249 ILE HD12 . 17538 1 178 . 1 1 24 24 ILE HD13 H 1 0.166 0.000 . 1 . . . A 249 ILE HD12 . 17538 1 179 . 1 1 24 24 ILE H H 1 9.236 0.000 . 1 . . . A 249 ILE HN . 17538 1 180 . 1 1 24 24 ILE CA C 13 58.023 0.000 . 1 . . . A 249 ILE CA . 17538 1 181 . 1 1 24 24 ILE CB C 13 40.322 0.001 . 1 . . . A 249 ILE CB . 17538 1 182 . 1 1 24 24 ILE N N 15 122.209 0.000 . 1 . . . A 249 ILE N . 17538 1 183 . 1 1 25 25 ASN HA H 1 3.945 0.000 . 1 . . . A 250 ASN HA . 17538 1 184 . 1 1 25 25 ASN HB2 H 1 2.166 0.000 . 2 . . . A 250 ASN HB2 . 17538 1 185 . 1 1 25 25 ASN HB3 H 1 -0.458 0.000 . 2 . . . A 250 ASN HB3 . 17538 1 186 . 1 1 25 25 ASN HD21 H 1 6.418 0.000 . 2 . . . A 250 ASN HD21 . 17538 1 187 . 1 1 25 25 ASN HD22 H 1 5.017 0.000 . 2 . . . A 250 ASN HD22 . 17538 1 188 . 1 1 25 25 ASN H H 1 8.279 0.000 . 1 . . . A 250 ASN HN . 17538 1 189 . 1 1 25 25 ASN CA C 13 47.871 0.000 . 1 . . . A 250 ASN CA . 17538 1 190 . 1 1 25 25 ASN CB C 13 33.815 0.000 . 1 . . . A 250 ASN CB . 17538 1 191 . 1 1 25 25 ASN N N 15 124.734 0.000 . 1 . . . A 250 ASN N . 17538 1 192 . 1 1 26 26 HIS HA H 1 4.051 0.041 . 1 . . . A 251 HIS HA . 17538 1 193 . 1 1 26 26 HIS HB2 H 1 2.851 0.001 . 1 . . . A 251 HIS HB2 . 17538 1 194 . 1 1 26 26 HIS HD1 H 1 6.695 0.005 . 1 . . . A 251 HIS HD1 . 17538 1 195 . 1 1 26 26 HIS HE1 H 1 7.545 0.000 . 1 . . . A 251 HIS HE1 . 17538 1 196 . 1 1 26 26 HIS H H 1 8.478 0.000 . 1 . . . A 251 HIS HN . 17538 1 197 . 1 1 26 26 HIS CA C 13 56.493 0.001 . 1 . . . A 251 HIS CA . 17538 1 198 . 1 1 26 26 HIS CB C 13 28.317 0.038 . 1 . . . A 251 HIS CB . 17538 1 199 . 1 1 26 26 HIS N N 15 121.953 0.000 . 1 . . . A 251 HIS N . 17538 1 200 . 1 1 27 27 LYS HA H 1 3.841 0.019 . 1 . . . A 252 LYS HA . 17538 1 201 . 1 1 27 27 LYS HB2 H 1 1.624 0.000 . 2 . . . A 252 LYS HB2 . 17538 1 202 . 1 1 27 27 LYS HB3 H 1 1.480 0.002 . 2 . . . A 252 LYS HB3 . 17538 1 203 . 1 1 27 27 LYS HG2 H 1 1.213 0.000 . 2 . . . A 252 LYS HG2 . 17538 1 204 . 1 1 27 27 LYS HG3 H 1 1.117 0.056 . 2 . . . A 252 LYS HG3 . 17538 1 205 . 1 1 27 27 LYS HD2 H 1 2.402 0.000 . 2 . . . A 252 LYS HD2 . 17538 1 206 . 1 1 27 27 LYS HD3 H 1 2.163 0.000 . 2 . . . A 252 LYS HD3 . 17538 1 207 . 1 1 27 27 LYS H H 1 7.924 0.000 . 1 . . . A 252 LYS HN . 17538 1 208 . 1 1 27 27 LYS CA C 13 56.786 0.000 . 1 . . . A 252 LYS CA . 17538 1 209 . 1 1 27 27 LYS CB C 13 28.642 0.001 . 1 . . . A 252 LYS CB . 17538 1 210 . 1 1 27 27 LYS N N 15 118.804 0.000 . 1 . . . A 252 LYS N . 17538 1 211 . 1 1 28 28 ASN HA H 1 4.400 0.002 . 1 . . . A 253 ASN HA . 17538 1 212 . 1 1 28 28 ASN HB2 H 1 2.381 0.000 . 2 . . . A 253 ASN HB2 . 17538 1 213 . 1 1 28 28 ASN HB3 H 1 2.197 0.000 . 2 . . . A 253 ASN HB3 . 17538 1 214 . 1 1 28 28 ASN HD21 H 1 6.789 0.000 . 2 . . . A 253 ASN HD21 . 17538 1 215 . 1 1 28 28 ASN H H 1 6.562 0.003 . 1 . . . A 253 ASN HN . 17538 1 216 . 1 1 28 28 ASN CA C 13 48.814 0.017 . 1 . . . A 253 ASN CA . 17538 1 217 . 1 1 28 28 ASN CB C 13 35.962 0.160 . 1 . . . A 253 ASN CB . 17538 1 218 . 1 1 28 28 ASN N N 15 113.401 0.000 . 1 . . . A 253 ASN N . 17538 1 219 . 1 1 29 29 LYS HA H 1 2.672 0.002 . 1 . . . A 254 LYS HA . 17538 1 220 . 1 1 29 29 LYS HB2 H 1 1.597 0.000 . 2 . . . A 254 LYS HB2 . 17538 1 221 . 1 1 29 29 LYS HB3 H 1 1.427 0.000 . 2 . . . A 254 LYS HB3 . 17538 1 222 . 1 1 29 29 LYS HG2 H 1 1.264 0.004 . 2 . . . A 254 LYS HG2 . 17538 1 223 . 1 1 29 29 LYS HG3 H 1 1.153 0.004 . 2 . . . A 254 LYS HG3 . 17538 1 224 . 1 1 29 29 LYS HD2 H 1 2.727 0.000 . 2 . . . A 254 LYS HD2 . 17538 1 225 . 1 1 29 29 LYS H H 1 7.091 0.000 . 1 . . . A 254 LYS HN . 17538 1 226 . 1 1 29 29 LYS CA C 13 53.956 0.000 . 1 . . . A 254 LYS CA . 17538 1 227 . 1 1 29 29 LYS N N 15 116.448 0.000 . 1 . . . A 254 LYS N . 17538 1 228 . 1 1 30 30 THR HA H 1 4.575 0.000 . 1 . . . A 255 THR HA . 17538 1 229 . 1 1 30 30 THR HB H 1 3.951 0.000 . 1 . . . A 255 THR HB . 17538 1 230 . 1 1 30 30 THR HG21 H 1 0.793 0.000 . 1 . . . A 255 THR HG22 . 17538 1 231 . 1 1 30 30 THR HG22 H 1 0.793 0.000 . 1 . . . A 255 THR HG22 . 17538 1 232 . 1 1 30 30 THR HG23 H 1 0.793 0.000 . 1 . . . A 255 THR HG22 . 17538 1 233 . 1 1 30 30 THR H H 1 7.314 0.000 . 1 . . . A 255 THR HN . 17538 1 234 . 1 1 30 30 THR CA C 13 57.242 0.000 . 1 . . . A 255 THR CA . 17538 1 235 . 1 1 30 30 THR CB C 13 70.647 0.000 . 1 . . . A 255 THR CB . 17538 1 236 . 1 1 30 30 THR N N 15 108.459 0.000 . 1 . . . A 255 THR N . 17538 1 237 . 1 1 31 31 THR HA H 1 5.236 0.000 . 1 . . . A 256 THR HA . 17538 1 238 . 1 1 31 31 THR HB H 1 3.953 0.000 . 1 . . . A 256 THR HB . 17538 1 239 . 1 1 31 31 THR HG21 H 1 0.934 0.000 . 1 . . . A 256 THR HG22 . 17538 1 240 . 1 1 31 31 THR HG22 H 1 0.934 0.000 . 1 . . . A 256 THR HG22 . 17538 1 241 . 1 1 31 31 THR HG23 H 1 0.934 0.000 . 1 . . . A 256 THR HG22 . 17538 1 242 . 1 1 31 31 THR H H 1 7.919 0.000 . 1 . . . A 256 THR HN . 17538 1 243 . 1 1 31 31 THR CA C 13 56.624 0.000 . 1 . . . A 256 THR CA . 17538 1 244 . 1 1 31 31 THR CB C 13 69.898 0.000 . 1 . . . A 256 THR CB . 17538 1 245 . 1 1 31 31 THR N N 15 109.143 0.000 . 1 . . . A 256 THR N . 17538 1 246 . 1 1 32 32 SER HA H 1 4.549 0.000 . 1 . . . A 257 SER HA . 17538 1 247 . 1 1 32 32 SER HB2 H 1 3.875 0.000 . 1 . . . A 257 SER HB2 . 17538 1 248 . 1 1 32 32 SER HB3 H 1 3.494 0.000 . 1 . . . A 257 SER HB3 . 17538 1 249 . 1 1 32 32 SER H H 1 9.221 0.000 . 1 . . . A 257 SER HN . 17538 1 250 . 1 1 32 32 SER CA C 13 54.410 0.001 . 1 . . . A 257 SER CA . 17538 1 251 . 1 1 32 32 SER CB C 13 63.098 0.000 . 1 . . . A 257 SER CB . 17538 1 252 . 1 1 32 32 SER N N 15 111.967 0.000 . 1 . . . A 257 SER N . 17538 1 253 . 1 1 33 33 TRP HA H 1 4.955 0.000 . 1 . . . A 258 TRP HA . 17538 1 254 . 1 1 33 33 TRP HB2 H 1 3.502 0.000 . 1 . . . A 258 TRP HB2 . 17538 1 255 . 1 1 33 33 TRP HB3 H 1 2.902 0.051 . 2 . . . A 258 TRP HB3 . 17538 1 256 . 1 1 33 33 TRP HD1 H 1 7.144 0.003 . 1 . . . A 258 TRP HD1 . 17538 1 257 . 1 1 33 33 TRP HE1 H 1 9.845 0.000 . 1 . . . A 258 TRP HE1 . 17538 1 258 . 1 1 33 33 TRP HE3 H 1 7.939 0.142 . 1 . . . A 258 TRP HE3 . 17538 1 259 . 1 1 33 33 TRP HZ2 H 1 6.955 0.001 . 1 . . . A 258 TRP HZ2 . 17538 1 260 . 1 1 33 33 TRP HZ3 H 1 6.683 0.005 . 1 . . . A 258 TRP HZ3 . 17538 1 261 . 1 1 33 33 TRP HH2 H 1 6.653 0.001 . 1 . . . A 258 TRP HH2 . 17538 1 262 . 1 1 33 33 TRP H H 1 9.053 0.000 . 1 . . . A 258 TRP HN . 17538 1 263 . 1 1 33 33 TRP CA C 13 55.582 0.003 . 1 . . . A 258 TRP CA . 17538 1 264 . 1 1 33 33 TRP CB C 13 28.739 0.000 . 1 . . . A 258 TRP CB . 17538 1 265 . 1 1 33 33 TRP N N 15 125.179 0.006 . 1 . . . A 258 TRP N . 17538 1 266 . 1 1 34 34 LEU HA H 1 4.241 0.000 . 1 . . . A 259 LEU HA . 17538 1 267 . 1 1 34 34 LEU HB2 H 1 1.406 0.000 . 2 . . . A 259 LEU HB2 . 17538 1 268 . 1 1 34 34 LEU HB3 H 1 1.334 0.000 . 2 . . . A 259 LEU HB3 . 17538 1 269 . 1 1 34 34 LEU HG H 1 0.925 0.000 . 1 . . . A 259 LEU HG . 17538 1 270 . 1 1 34 34 LEU HD11 H 1 0.702 0.000 . 1 . . . A 259 LEU HD12 . 17538 1 271 . 1 1 34 34 LEU HD12 H 1 0.702 0.000 . 1 . . . A 259 LEU HD12 . 17538 1 272 . 1 1 34 34 LEU HD13 H 1 0.702 0.000 . 1 . . . A 259 LEU HD12 . 17538 1 273 . 1 1 34 34 LEU HD21 H 1 0.646 0.000 . 1 . . . A 259 LEU HD22 . 17538 1 274 . 1 1 34 34 LEU HD22 H 1 0.646 0.000 . 1 . . . A 259 LEU HD22 . 17538 1 275 . 1 1 34 34 LEU HD23 H 1 0.646 0.000 . 1 . . . A 259 LEU HD22 . 17538 1 276 . 1 1 34 34 LEU H H 1 7.815 0.000 . 1 . . . A 259 LEU HN . 17538 1 277 . 1 1 34 34 LEU CA C 13 51.645 0.000 . 1 . . . A 259 LEU CA . 17538 1 278 . 1 1 34 34 LEU CB C 13 39.834 0.000 . 1 . . . A 259 LEU CB . 17538 1 279 . 1 1 34 34 LEU N N 15 119.679 0.000 . 1 . . . A 259 LEU N . 17538 1 280 . 1 1 35 35 ASP HA H 1 2.744 0.000 . 1 . . . A 260 ASP HA . 17538 1 281 . 1 1 35 35 ASP HB2 H 1 2.350 0.000 . 2 . . . A 260 ASP HB2 . 17538 1 282 . 1 1 35 35 ASP HB3 H 1 2.203 0.006 . 2 . . . A 260 ASP HB3 . 17538 1 283 . 1 1 35 35 ASP H H 1 7.976 0.000 . 1 . . . A 260 ASP HN . 17538 1 284 . 1 1 35 35 ASP CA C 13 48.001 0.000 . 1 . . . A 260 ASP CA . 17538 1 285 . 1 1 35 35 ASP CB C 13 38.761 0.000 . 1 . . . A 260 ASP CB . 17538 1 286 . 1 1 35 35 ASP N N 15 125.068 0.000 . 1 . . . A 260 ASP N . 17538 1 287 . 1 1 36 36 PRO HA H 1 3.642 0.000 . 1 . . . A 261 PRO HA . 17538 1 288 . 1 1 36 36 PRO HB2 H 1 0.526 0.000 . 2 . . . A 261 PRO HB2 . 17538 1 289 . 1 1 36 36 PRO HB3 H 1 0.380 0.000 . 2 . . . A 261 PRO HB3 . 17538 1 290 . 1 1 36 36 PRO HG2 H 1 0.340 0.000 . 2 . . . A 261 PRO HG2 . 17538 1 291 . 1 1 36 36 PRO HG3 H 1 0.100 0.000 . 2 . . . A 261 PRO HG3 . 17538 1 292 . 1 1 36 36 PRO HD2 H 1 2.439 0.000 . 2 . . . A 261 PRO HD2 . 17538 1 293 . 1 1 36 36 PRO HD3 H 1 2.348 0.000 . 2 . . . A 261 PRO HD3 . 17538 1 294 . 1 1 36 36 PRO CA C 13 60.300 0.003 . 1 . . . A 261 PRO CA . 17538 1 295 . 1 1 36 36 PRO CB C 13 27.893 0.000 . 1 . . . A 261 PRO CB . 17538 1 296 . 1 1 37 37 ARG HA H 1 3.624 0.000 . 1 . . . A 262 ARG HA . 17538 1 297 . 1 1 37 37 ARG HB2 H 1 1.310 0.058 . 2 . . . A 262 ARG HB2 . 17538 1 298 . 1 1 37 37 ARG HB3 H 1 1.021 0.000 . 2 . . . A 262 ARG HB3 . 17538 1 299 . 1 1 37 37 ARG HG2 H 1 1.599 0.000 . 1 . . . A 262 ARG HG2 . 17538 1 300 . 1 1 37 37 ARG HG3 H 1 1.524 0.000 . 1 . . . A 262 ARG HG3 . 17538 1 301 . 1 1 37 37 ARG HD2 H 1 2.663 0.000 . 1 . . . A 262 ARG HD2 . 17538 1 302 . 1 1 37 37 ARG HD3 H 1 2.625 0.000 . 1 . . . A 262 ARG HD3 . 17538 1 303 . 1 1 37 37 ARG HE H 1 8.337 0.000 . 1 . . . A 262 ARG HE . 17538 1 304 . 1 1 37 37 ARG H H 1 8.149 0.002 . 1 . . . A 262 ARG HN . 17538 1 305 . 1 1 37 37 ARG CA C 13 54.964 0.000 . 1 . . . A 262 ARG CA . 17538 1 306 . 1 1 37 37 ARG CB C 13 27.274 0.000 . 1 . . . A 262 ARG CB . 17538 1 307 . 1 1 37 37 ARG N N 15 119.005 0.001 . 1 . . . A 262 ARG N . 17538 1 308 . 1 1 38 38 LEU HA H 1 3.990 0.000 . 1 . . . A 263 LEU HA . 17538 1 309 . 1 1 38 38 LEU HB2 H 1 1.245 0.001 . 2 . . . A 263 LEU HB2 . 17538 1 310 . 1 1 38 38 LEU HB3 H 1 1.160 0.000 . 2 . . . A 263 LEU HB3 . 17538 1 311 . 1 1 38 38 LEU HG H 1 1.042 0.000 . 1 . . . A 263 LEU HG . 17538 1 312 . 1 1 38 38 LEU HD11 H 1 0.690 0.000 . 1 . . . A 263 LEU HD12 . 17538 1 313 . 1 1 38 38 LEU HD12 H 1 0.690 0.000 . 1 . . . A 263 LEU HD12 . 17538 1 314 . 1 1 38 38 LEU HD13 H 1 0.690 0.000 . 1 . . . A 263 LEU HD12 . 17538 1 315 . 1 1 38 38 LEU HD21 H 1 0.523 0.000 . 1 . . . A 263 LEU HD22 . 17538 1 316 . 1 1 38 38 LEU HD22 H 1 0.523 0.000 . 1 . . . A 263 LEU HD22 . 17538 1 317 . 1 1 38 38 LEU HD23 H 1 0.523 0.000 . 1 . . . A 263 LEU HD22 . 17538 1 318 . 1 1 38 38 LEU H H 1 7.055 0.000 . 1 . . . A 263 LEU HN . 17538 1 319 . 1 1 38 38 LEU CA C 13 51.938 0.000 . 1 . . . A 263 LEU CA . 17538 1 320 . 1 1 38 38 LEU CB C 13 39.118 0.004 . 1 . . . A 263 LEU CB . 17538 1 321 . 1 1 38 38 LEU N N 15 117.575 0.000 . 1 . . . A 263 LEU N . 17538 1 stop_ save_