################################### # 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 18500 _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 0.02 _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 '2D 1H-1H NOESY' . . . 18500 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.854 0.02 . 2 . . . A 280 GLY HA2 . 18500 1 2 . 1 1 1 1 GLY HA3 H 1 3.782 0.02 . 2 . . . A 280 GLY HA3 . 18500 1 3 . 1 1 1 1 GLY H H 1 8.122 0.02 . 1 . . . A 280 GLY H1 . 18500 1 4 . 1 1 2 2 PRO HA H 1 3.960 0.02 . 1 . . . A 281 PRO HA . 18500 1 5 . 1 1 3 3 LEU H H 1 7.607 0.02 . 1 . . . A 282 LEU H . 18500 1 6 . 1 1 3 3 LEU HA H 1 4.301 0.02 . 1 . . . A 282 LEU HA . 18500 1 7 . 1 1 3 3 LEU HB2 H 1 1.179 0.02 . 2 . . . A 282 LEU HB2 . 18500 1 8 . 1 1 3 3 LEU HB3 H 1 0.824 0.02 . 2 . . . A 282 LEU HB3 . 18500 1 9 . 1 1 3 3 LEU HG H 1 0.858 0.02 . 1 . . . A 282 LEU HG . 18500 1 10 . 1 1 3 3 LEU HD11 H 1 0.591 0.02 . 2 . . . A 282 LEU HD11 . 18500 1 11 . 1 1 3 3 LEU HD12 H 1 0.591 0.02 . 2 . . . A 282 LEU HD12 . 18500 1 12 . 1 1 3 3 LEU HD13 H 1 0.591 0.02 . 2 . . . A 282 LEU HD13 . 18500 1 13 . 1 1 3 3 LEU HD21 H 1 0.557 0.02 . 2 . . . A 282 LEU HD21 . 18500 1 14 . 1 1 3 3 LEU HD22 H 1 0.557 0.02 . 2 . . . A 282 LEU HD22 . 18500 1 15 . 1 1 3 3 LEU HD23 H 1 0.557 0.02 . 2 . . . A 282 LEU HD23 . 18500 1 16 . 1 1 4 4 PRO HA H 1 4.499 0.02 . 1 . . . A 283 PRO HA . 18500 1 17 . 1 1 4 4 PRO HB2 H 1 2.192 0.02 . 2 . . . A 283 PRO HB2 . 18500 1 18 . 1 1 4 4 PRO HB3 H 1 1.681 0.02 . 2 . . . A 283 PRO HB3 . 18500 1 19 . 1 1 4 4 PRO HG2 H 1 1.456 0.02 . 2 . . . A 283 PRO HG2 . 18500 1 20 . 1 1 4 4 PRO HG3 H 1 1.060 0.02 . 2 . . . A 283 PRO HG3 . 18500 1 21 . 1 1 4 4 PRO HD2 H 1 3.668 0.02 . 2 . . . A 283 PRO HD2 . 18500 1 22 . 1 1 4 4 PRO HD3 H 1 3.467 0.02 . 2 . . . A 283 PRO HD3 . 18500 1 23 . 1 1 5 5 PRO HA H 1 4.249 0.02 . 1 . . . A 284 PRO HA . 18500 1 24 . 1 1 5 5 PRO HB2 H 1 2.190 0.02 . 2 . . . A 284 PRO HB2 . 18500 1 25 . 1 1 5 5 PRO HB3 H 1 1.876 0.02 . 2 . . . A 284 PRO HB3 . 18500 1 26 . 1 1 5 5 PRO HG2 H 1 1.247 0.02 . 2 . . . A 284 PRO HG2 . 18500 1 27 . 1 1 5 5 PRO HG3 H 1 1.853 0.02 . 2 . . . A 284 PRO HG3 . 18500 1 28 . 1 1 5 5 PRO HD2 H 1 3.456 0.02 . 2 . . . A 284 PRO HD2 . 18500 1 29 . 1 1 5 5 PRO HD3 H 1 3.327 0.02 . 2 . . . A 284 PRO HD3 . 18500 1 30 . 1 1 6 6 GLY H H 1 8.834 0.02 . 1 . . . A 285 GLY H . 18500 1 31 . 1 1 6 6 GLY HA2 H 1 3.593 0.02 . 2 . . . A 285 GLY HA2 . 18500 1 32 . 1 1 6 6 GLY HA3 H 1 4.056 0.02 . 2 . . . A 285 GLY HA3 . 18500 1 33 . 1 1 7 7 TRP H H 1 7.512 0.02 . 1 . . . A 286 TRP H . 18500 1 34 . 1 1 7 7 TRP HA H 1 5.823 0.02 . 1 . . . A 286 TRP HA . 18500 1 35 . 1 1 7 7 TRP HB2 H 1 3.063 0.02 . 2 . . . A 286 TRP HB2 . 18500 1 36 . 1 1 7 7 TRP HB3 H 1 2.869 0.02 . 2 . . . A 286 TRP HB3 . 18500 1 37 . 1 1 7 7 TRP HD1 H 1 6.861 0.02 . 1 . . . A 286 TRP HD1 . 18500 1 38 . 1 1 7 7 TRP HE1 H 1 9.993 0.02 . 1 . . . A 286 TRP HE1 . 18500 1 39 . 1 1 7 7 TRP HE3 H 1 6.998 0.02 . 1 . . . A 286 TRP HE3 . 18500 1 40 . 1 1 7 7 TRP HZ2 H 1 7.157 0.02 . 1 . . . A 286 TRP HZ2 . 18500 1 41 . 1 1 7 7 TRP HZ3 H 1 6.819 0.02 . 1 . . . A 286 TRP HZ3 . 18500 1 42 . 1 1 7 7 TRP HH2 H 1 6.464 0.02 . 1 . . . A 286 TRP HH2 . 18500 1 43 . 1 1 8 8 GLU H H 1 9.279 0.02 . 1 . . . A 287 GLU H . 18500 1 44 . 1 1 8 8 GLU HA H 1 4.565 0.02 . 1 . . . A 287 GLU HA . 18500 1 45 . 1 1 8 8 GLU HB2 H 1 1.852 0.02 . 2 . . . A 287 GLU HB2 . 18500 1 46 . 1 1 8 8 GLU HB3 H 1 1.780 0.02 . 2 . . . A 287 GLU HB3 . 18500 1 47 . 1 1 8 8 GLU HG2 H 1 2.459 0.02 . 2 . . . A 287 GLU HG2 . 18500 1 48 . 1 1 8 8 GLU HG3 H 1 1.985 0.02 . 2 . . . A 287 GLU HG3 . 18500 1 49 . 1 1 9 9 VAL H H 1 8.343 0.02 . 1 . . . A 288 VAL H . 18500 1 50 . 1 1 9 9 VAL HA H 1 4.342 0.02 . 1 . . . A 288 VAL HA . 18500 1 51 . 1 1 9 9 VAL HB H 1 1.597 0.02 . 1 . . . A 288 VAL HB . 18500 1 52 . 1 1 9 9 VAL HG11 H 1 0.599 0.02 . 2 . . . A 288 VAL HG11 . 18500 1 53 . 1 1 9 9 VAL HG12 H 1 0.599 0.02 . 2 . . . A 288 VAL HG12 . 18500 1 54 . 1 1 9 9 VAL HG13 H 1 0.599 0.02 . 2 . . . A 288 VAL HG13 . 18500 1 55 . 1 1 9 9 VAL HG21 H 1 0.561 0.02 . 2 . . . A 288 VAL HG21 . 18500 1 56 . 1 1 9 9 VAL HG22 H 1 0.561 0.02 . 2 . . . A 288 VAL HG22 . 18500 1 57 . 1 1 9 9 VAL HG23 H 1 0.561 0.02 . 2 . . . A 288 VAL HG23 . 18500 1 58 . 1 1 10 10 ARG H H 1 8.146 0.02 . 1 . . . A 289 ARG H . 18500 1 59 . 1 1 10 10 ARG HA H 1 4.246 0.02 . 1 . . . A 289 ARG HA . 18500 1 60 . 1 1 10 10 ARG HB2 H 1 1.208 0.02 . 2 . . . A 289 ARG HB2 . 18500 1 61 . 1 1 10 10 ARG HB3 H 1 0.583 0.02 . 2 . . . A 289 ARG HB3 . 18500 1 62 . 1 1 10 10 ARG HG2 H 1 0.833 0.02 . 2 . . . A 289 ARG HG2 . 18500 1 63 . 1 1 10 10 ARG HG3 H 1 -0.102 0.02 . 2 . . . A 289 ARG HG3 . 18500 1 64 . 1 1 10 10 ARG HD2 H 1 3.037 0.02 . 2 . . . A 289 ARG HD2 . 18500 1 65 . 1 1 10 10 ARG HD3 H 1 2.842 0.02 . 2 . . . A 289 ARG HD3 . 18500 1 66 . 1 1 11 11 SER H H 1 7.932 0.02 . 1 . . . A 290 SER H . 18500 1 67 . 1 1 11 11 SER HA H 1 5.389 0.02 . 1 . . . A 290 SER HA . 18500 1 68 . 1 1 11 11 SER HB2 H 1 3.419 0.02 . 2 . . . A 290 SER HB2 . 18500 1 69 . 1 1 11 11 SER HB3 H 1 3.366 0.02 . 2 . . . A 290 SER HB3 . 18500 1 70 . 1 1 12 12 THR H H 1 9.241 0.02 . 1 . . . A 291 THR H . 18500 1 71 . 1 1 12 12 THR HA H 1 4.539 0.02 . 1 . . . A 291 THR HA . 18500 1 72 . 1 1 12 12 THR HG21 H 1 1.232 0.02 . 1 . . . A 291 THR HG21 . 18500 1 73 . 1 1 12 12 THR HG22 H 1 1.232 0.02 . 1 . . . A 291 THR HG22 . 18500 1 74 . 1 1 12 12 THR HG23 H 1 1.232 0.02 . 1 . . . A 291 THR HG23 . 18500 1 75 . 1 1 13 13 VAL H H 1 8.922 0.02 . 1 . . . A 292 VAL H . 18500 1 76 . 1 1 13 13 VAL HA H 1 3.754 0.02 . 1 . . . A 292 VAL HA . 18500 1 77 . 1 1 13 13 VAL HB H 1 1.999 0.02 . 1 . . . A 292 VAL HB . 18500 1 78 . 1 1 13 13 VAL HG11 H 1 0.855 0.02 . 2 . . . A 292 VAL HG11 . 18500 1 79 . 1 1 13 13 VAL HG12 H 1 0.855 0.02 . 2 . . . A 292 VAL HG12 . 18500 1 80 . 1 1 13 13 VAL HG13 H 1 0.855 0.02 . 2 . . . A 292 VAL HG13 . 18500 1 81 . 1 1 13 13 VAL HG21 H 1 0.819 0.02 . 2 . . . A 292 VAL HG21 . 18500 1 82 . 1 1 13 13 VAL HG22 H 1 0.819 0.02 . 2 . . . A 292 VAL HG22 . 18500 1 83 . 1 1 13 13 VAL HG23 H 1 0.819 0.02 . 2 . . . A 292 VAL HG23 . 18500 1 84 . 1 1 14 14 SER H H 1 8.371 0.02 . 1 . . . A 293 SER H . 18500 1 85 . 1 1 14 14 SER HA H 1 4.232 0.02 . 1 . . . A 293 SER HA . 18500 1 86 . 1 1 14 14 SER HB2 H 1 4.078 0.02 . 2 . . . A 293 SER HB2 . 18500 1 87 . 1 1 15 15 GLY H H 1 7.875 0.02 . 1 . . . A 294 GLY H . 18500 1 88 . 1 1 15 15 GLY HA2 H 1 3.463 0.02 . 2 . . . A 294 GLY HA2 . 18500 1 89 . 1 1 15 15 GLY HA3 H 1 4.101 0.02 . 2 . . . A 294 GLY HA3 . 18500 1 90 . 1 1 16 16 ARG H H 1 7.416 0.02 . 1 . . . A 295 ARG H . 18500 1 91 . 1 1 16 16 ARG HA H 1 4.220 0.02 . 1 . . . A 295 ARG HA . 18500 1 92 . 1 1 16 16 ARG HB2 H 1 1.442 0.02 . 2 . . . A 295 ARG HB2 . 18500 1 93 . 1 1 16 16 ARG HB3 H 1 1.214 0.02 . 2 . . . A 295 ARG HB3 . 18500 1 94 . 1 1 16 16 ARG HG2 H 1 1.798 0.02 . 2 . . . A 295 ARG HG2 . 18500 1 95 . 1 1 16 16 ARG HG3 H 1 1.569 0.02 . 2 . . . A 295 ARG HG3 . 18500 1 96 . 1 1 16 16 ARG HD2 H 1 2.746 0.02 . 2 . . . A 295 ARG HD2 . 18500 1 97 . 1 1 16 16 ARG HD3 H 1 2.568 0.02 . 2 . . . A 295 ARG HD3 . 18500 1 98 . 1 1 17 17 ILE H H 1 8.385 0.02 . 1 . . . A 296 ILE H . 18500 1 99 . 1 1 17 17 ILE HA H 1 4.406 0.02 . 1 . . . A 296 ILE HA . 18500 1 100 . 1 1 17 17 ILE HB H 1 1.571 0.02 . 1 . . . A 296 ILE HB . 18500 1 101 . 1 1 17 17 ILE HG12 H 1 1.353 0.02 . 2 . . . A 296 ILE HG12 . 18500 1 102 . 1 1 17 17 ILE HG13 H 1 0.798 0.02 . 2 . . . A 296 ILE HG13 . 18500 1 103 . 1 1 17 17 ILE HG21 H 1 0.617 0.02 . 1 . . . A 296 ILE HG21 . 18500 1 104 . 1 1 17 17 ILE HG22 H 1 0.617 0.02 . 1 . . . A 296 ILE HG22 . 18500 1 105 . 1 1 17 17 ILE HG23 H 1 0.617 0.02 . 1 . . . A 296 ILE HG23 . 18500 1 106 . 1 1 17 17 ILE HD11 H 1 0.421 0.02 . 1 . . . A 296 ILE HD11 . 18500 1 107 . 1 1 17 17 ILE HD12 H 1 0.421 0.02 . 1 . . . A 296 ILE HD12 . 18500 1 108 . 1 1 17 17 ILE HD13 H 1 0.421 0.02 . 1 . . . A 296 ILE HD13 . 18500 1 109 . 1 1 18 18 TYR H H 1 8.638 0.02 . 1 . . . A 297 TYR H . 18500 1 110 . 1 1 18 18 TYR HA H 1 4.679 0.02 . 1 . . . A 297 TYR HA . 18500 1 111 . 1 1 18 18 TYR HB2 H 1 2.696 0.02 . 2 . . . A 297 TYR HB2 . 18500 1 112 . 1 1 18 18 TYR HB3 H 1 2.331 0.02 . 2 . . . A 297 TYR HB3 . 18500 1 113 . 1 1 18 18 TYR HD1 H 1 6.611 0.02 . 3 . . . A 297 TYR HD1 . 18500 1 114 . 1 1 18 18 TYR HE1 H 1 6.112 0.02 . 3 . . . A 297 TYR HE1 . 18500 1 115 . 1 1 19 19 PHE H H 1 8.897 0.02 . 1 . . . A 298 PHE H . 18500 1 116 . 1 1 19 19 PHE HA H 1 4.965 0.02 . 1 . . . A 298 PHE HA . 18500 1 117 . 1 1 19 19 PHE HB2 H 1 3.082 0.02 . 2 . . . A 298 PHE HB2 . 18500 1 118 . 1 1 19 19 PHE HB3 H 1 2.866 0.02 . 2 . . . A 298 PHE HB3 . 18500 1 119 . 1 1 19 19 PHE HD1 H 1 7.164 0.02 . 3 . . . A 298 PHE HD1 . 18500 1 120 . 1 1 19 19 PHE HE1 H 1 7.119 0.02 . 3 . . . A 298 PHE HE1 . 18500 1 121 . 1 1 19 19 PHE HZ H 1 6.997 0.02 . 1 . . . A 298 PHE HZ . 18500 1 122 . 1 1 20 20 VAL H H 1 9.228 0.02 . 1 . . . A 299 VAL H . 18500 1 123 . 1 1 20 20 VAL HA H 1 4.105 0.02 . 1 . . . A 299 VAL HA . 18500 1 124 . 1 1 20 20 VAL HB H 1 1.529 0.02 . 1 . . . A 299 VAL HB . 18500 1 125 . 1 1 20 20 VAL HG11 H 1 0.466 0.02 . 2 . . . A 299 VAL HG11 . 18500 1 126 . 1 1 20 20 VAL HG12 H 1 0.466 0.02 . 2 . . . A 299 VAL HG12 . 18500 1 127 . 1 1 20 20 VAL HG13 H 1 0.466 0.02 . 2 . . . A 299 VAL HG13 . 18500 1 128 . 1 1 20 20 VAL HG21 H 1 0.133 0.02 . 2 . . . A 299 VAL HG21 . 18500 1 129 . 1 1 20 20 VAL HG22 H 1 0.133 0.02 . 2 . . . A 299 VAL HG22 . 18500 1 130 . 1 1 20 20 VAL HG23 H 1 0.133 0.02 . 2 . . . A 299 VAL HG23 . 18500 1 131 . 1 1 21 21 ASP H H 1 7.999 0.02 . 1 . . . A 300 ASP H . 18500 1 132 . 1 1 21 21 ASP HA H 1 3.312 0.02 . 1 . . . A 300 ASP HA . 18500 1 133 . 1 1 21 21 ASP HB2 H 1 2.025 0.02 . 2 . . . A 300 ASP HB2 . 18500 1 134 . 1 1 21 21 ASP HB3 H 1 -0.226 0.02 . 2 . . . A 300 ASP HB3 . 18500 1 135 . 1 1 22 22 HIS H H 1 8.519 0.02 . 1 . . . A 301 HIS H . 18500 1 136 . 1 1 22 22 HIS HA H 1 4.136 0.02 . 1 . . . A 301 HIS HA . 18500 1 137 . 1 1 22 22 HIS HB2 H 1 3.084 0.02 . 2 . . . A 301 HIS HB2 . 18500 1 138 . 1 1 22 22 HIS HB3 H 1 2.829 0.02 . 2 . . . A 301 HIS HB3 . 18500 1 139 . 1 1 22 22 HIS HD1 H 1 7.144 0.02 . 1 . . . A 301 HIS HD1 . 18500 1 140 . 1 1 22 22 HIS HD2 H 1 6.667 0.02 . 1 . . . A 301 HIS HD2 . 18500 1 141 . 1 1 22 22 HIS HE1 H 1 7.513 0.02 . 1 . . . A 301 HIS HE1 . 18500 1 142 . 1 1 23 23 ASN H H 1 8.259 0.02 . 1 . . . A 302 ASN H . 18500 1 143 . 1 1 23 23 ASN HA H 1 4.180 0.02 . 1 . . . A 302 ASN HA . 18500 1 144 . 1 1 23 23 ASN HB2 H 1 2.821 0.02 . 2 . . . A 302 ASN HB2 . 18500 1 145 . 1 1 23 23 ASN HB3 H 1 2.387 0.02 . 2 . . . A 302 ASN HB3 . 18500 1 146 . 1 1 23 23 ASN HD21 H 1 7.421 0.02 . 2 . . . A 302 ASN HD21 . 18500 1 147 . 1 1 23 23 ASN HD22 H 1 6.430 0.02 . 2 . . . A 302 ASN HD22 . 18500 1 148 . 1 1 24 24 ASN H H 1 6.616 0.02 . 1 . . . A 303 ASN H . 18500 1 149 . 1 1 24 24 ASN HA H 1 4.411 0.02 . 1 . . . A 303 ASN HA . 18500 1 150 . 1 1 24 24 ASN HB2 H 1 2.399 0.02 . 2 . . . A 303 ASN HB2 . 18500 1 151 . 1 1 24 24 ASN HB3 H 1 2.004 0.02 . 2 . . . A 303 ASN HB3 . 18500 1 152 . 1 1 24 24 ASN HD21 H 1 8.248 0.02 . 2 . . . A 303 ASN HD21 . 18500 1 153 . 1 1 24 24 ASN HD22 H 1 6.763 0.02 . 2 . . . A 303 ASN HD22 . 18500 1 154 . 1 1 25 25 ARG H H 1 7.958 0.02 . 1 . . . A 304 ARG H . 18500 1 155 . 1 1 25 25 ARG HA H 1 1.995 0.02 . 1 . . . A 304 ARG HA . 18500 1 156 . 1 1 25 25 ARG HB2 H 1 1.633 0.02 . 2 . . . A 304 ARG HB2 . 18500 1 157 . 1 1 25 25 ARG HG2 H 1 0.857 0.02 . 2 . . . A 304 ARG HG2 . 18500 1 158 . 1 1 25 25 ARG HG3 H 1 0.808 0.02 . 2 . . . A 304 ARG HG3 . 18500 1 159 . 1 1 25 25 ARG HD2 H 1 2.836 0.02 . 2 . . . A 304 ARG HD2 . 18500 1 160 . 1 1 26 26 THR H H 1 6.815 0.02 . 1 . . . A 305 THR H . 18500 1 161 . 1 1 26 26 THR HA H 1 4.531 0.02 . 1 . . . A 305 THR HA . 18500 1 162 . 1 1 26 26 THR HB H 1 3.945 0.02 . 1 . . . A 305 THR HB . 18500 1 163 . 1 1 26 26 THR HG21 H 1 0.748 0.02 . 1 . . . A 305 THR HG21 . 18500 1 164 . 1 1 26 26 THR HG22 H 1 0.748 0.02 . 1 . . . A 305 THR HG22 . 18500 1 165 . 1 1 26 26 THR HG23 H 1 0.748 0.02 . 1 . . . A 305 THR HG23 . 18500 1 166 . 1 1 27 27 THR H H 1 7.982 0.02 . 1 . . . A 306 THR H . 18500 1 167 . 1 1 27 27 THR HA H 1 5.280 0.02 . 1 . . . A 306 THR HA . 18500 1 168 . 1 1 27 27 THR HB H 1 3.910 0.02 . 1 . . . A 306 THR HB . 18500 1 169 . 1 1 27 27 THR HG21 H 1 0.957 0.02 . 1 . . . A 306 THR HG21 . 18500 1 170 . 1 1 27 27 THR HG22 H 1 0.957 0.02 . 1 . . . A 306 THR HG22 . 18500 1 171 . 1 1 27 27 THR HG23 H 1 0.957 0.02 . 1 . . . A 306 THR HG23 . 18500 1 172 . 1 1 28 28 GLN H H 1 8.973 0.02 . 1 . . . A 307 GLN H . 18500 1 173 . 1 1 28 28 GLN HA H 1 4.654 0.02 . 1 . . . A 307 GLN HA . 18500 1 174 . 1 1 28 28 GLN HB2 H 1 2.280 0.02 . 2 . . . A 307 GLN HB2 . 18500 1 175 . 1 1 28 28 GLN HB3 H 1 2.027 0.02 . 2 . . . A 307 GLN HB3 . 18500 1 176 . 1 1 28 28 GLN HG2 H 1 2.617 0.02 . 2 . . . A 307 GLN HG2 . 18500 1 177 . 1 1 28 28 GLN HG3 H 1 2.396 0.02 . 2 . . . A 307 GLN HG3 . 18500 1 178 . 1 1 29 29 PHE H H 1 9.263 0.02 . 1 . . . A 308 PHE H . 18500 1 179 . 1 1 29 29 PHE HA H 1 4.887 0.02 . 1 . . . A 308 PHE HA . 18500 1 180 . 1 1 29 29 PHE HB2 H 1 3.357 0.02 . 2 . . . A 308 PHE HB2 . 18500 1 181 . 1 1 29 29 PHE HB3 H 1 2.773 0.02 . 2 . . . A 308 PHE HB3 . 18500 1 182 . 1 1 29 29 PHE HD2 H 1 7.428 0.02 . 3 . . . A 308 PHE HD2 . 18500 1 183 . 1 1 29 29 PHE HE2 H 1 6.914 0.02 . 3 . . . A 308 PHE HE2 . 18500 1 184 . 1 1 30 30 THR H H 1 7.231 0.02 . 1 . . . A 309 THR H . 18500 1 185 . 1 1 30 30 THR HA H 1 4.123 0.02 . 1 . . . A 309 THR HA . 18500 1 186 . 1 1 30 30 THR HB H 1 3.751 0.02 . 1 . . . A 309 THR HB . 18500 1 187 . 1 1 30 30 THR HG21 H 1 0.938 0.02 . 1 . . . A 309 THR HG21 . 18500 1 188 . 1 1 30 30 THR HG22 H 1 0.938 0.02 . 1 . . . A 309 THR HG22 . 18500 1 189 . 1 1 30 30 THR HG23 H 1 0.938 0.02 . 1 . . . A 309 THR HG23 . 18500 1 190 . 1 1 31 31 ASP H H 1 8.346 0.02 . 1 . . . A 310 ASP H . 18500 1 191 . 1 1 31 31 ASP HA H 1 2.514 0.02 . 1 . . . A 310 ASP HA . 18500 1 192 . 1 1 31 31 ASP HB2 H 1 2.351 0.02 . 2 . . . A 310 ASP HB2 . 18500 1 193 . 1 1 31 31 ASP HB3 H 1 1.971 0.02 . 2 . . . A 310 ASP HB3 . 18500 1 194 . 1 1 32 32 PRO HA H 1 3.696 0.02 . 1 . . . A 311 PRO HA . 18500 1 195 . 1 1 32 32 PRO HB2 H 1 0.689 0.02 . 2 . . . A 311 PRO HB2 . 18500 1 196 . 1 1 32 32 PRO HB3 H 1 0.577 0.02 . 2 . . . A 311 PRO HB3 . 18500 1 197 . 1 1 32 32 PRO HG2 H 1 0.285 0.02 . 2 . . . A 311 PRO HG2 . 18500 1 198 . 1 1 32 32 PRO HG3 H 1 -0.031 0.02 . 2 . . . A 311 PRO HG3 . 18500 1 199 . 1 1 32 32 PRO HD2 H 1 2.352 0.02 . 2 . . . A 311 PRO HD2 . 18500 1 200 . 1 1 33 33 ARG H H 1 8.394 0.02 . 1 . . . A 312 ARG H . 18500 1 201 . 1 1 33 33 ARG HA H 1 3.675 0.02 . 1 . . . A 312 ARG HA . 18500 1 202 . 1 1 33 33 ARG HB2 H 1 0.897 0.02 . 2 . . . A 312 ARG HB2 . 18500 1 203 . 1 1 33 33 ARG HB3 H 1 0.883 0.02 . 2 . . . A 312 ARG HB3 . 18500 1 204 . 1 1 33 33 ARG HG2 H 1 1.565 0.02 . 2 . . . A 312 ARG HG2 . 18500 1 205 . 1 1 33 33 ARG HG3 H 1 1.458 0.02 . 2 . . . A 312 ARG HG3 . 18500 1 206 . 1 1 33 33 ARG HD2 H 1 2.539 0.02 . 2 . . . A 312 ARG HD2 . 18500 1 207 . 1 1 33 33 ARG HE H 1 8.632 0.02 . 1 . . . A 312 ARG HE . 18500 1 208 . 1 1 34 34 LEU H H 1 6.912 0.02 . 1 . . . A 313 LEU H . 18500 1 209 . 1 1 34 34 LEU HA H 1 3.952 0.02 . 1 . . . A 313 LEU HA . 18500 1 210 . 1 1 34 34 LEU HB2 H 1 1.240 0.02 . 2 . . . A 313 LEU HB2 . 18500 1 211 . 1 1 34 34 LEU HB3 H 1 1.167 0.02 . 2 . . . A 313 LEU HB3 . 18500 1 212 . 1 1 34 34 LEU HG H 1 1.357 0.02 . 1 . . . A 313 LEU HG . 18500 1 213 . 1 1 34 34 LEU HD11 H 1 0.683 0.02 . 2 . . . A 313 LEU HD11 . 18500 1 214 . 1 1 34 34 LEU HD12 H 1 0.683 0.02 . 2 . . . A 313 LEU HD12 . 18500 1 215 . 1 1 34 34 LEU HD13 H 1 0.683 0.02 . 2 . . . A 313 LEU HD13 . 18500 1 216 . 1 1 34 34 LEU HD21 H 1 0.547 0.02 . 2 . . . A 313 LEU HD21 . 18500 1 217 . 1 1 34 34 LEU HD22 H 1 0.547 0.02 . 2 . . . A 313 LEU HD22 . 18500 1 218 . 1 1 34 34 LEU HD23 H 1 0.547 0.02 . 2 . . . A 313 LEU HD23 . 18500 1 219 . 1 1 35 35 HIS H H 1 7.599 0.02 . 1 . . . A 314 HIS H . 18500 1 220 . 1 1 35 35 HIS HA H 1 4.140 0.02 . 1 . . . A 314 HIS HA . 18500 1 221 . 1 1 35 35 HIS HB2 H 1 2.927 0.02 . 2 . . . A 314 HIS HB2 . 18500 1 222 . 1 1 35 35 HIS HB3 H 1 2.766 0.02 . 2 . . . A 314 HIS HB3 . 18500 1 223 . 2 2 1 1 GLU HA H 1 4.109 0.02 . 1 . . . B 203 GLU HA . 18500 1 224 . 2 2 1 1 GLU HB2 H 1 1.789 0.02 . 2 . . . B 203 GLU HB2 . 18500 1 225 . 2 2 1 1 GLU HB3 H 1 1.711 0.02 . 2 . . . B 203 GLU HB3 . 18500 1 226 . 2 2 1 1 GLU HG2 H 1 2.011 0.02 . 2 . . . B 203 GLU HG2 . 18500 1 227 . 2 2 1 1 GLU H H 1 8.279 0.02 . 1 . . . B 203 GLU H1 . 18500 1 228 . 2 2 2 2 LEU H H 1 8.250 0.02 . 1 . . . B 204 LEU H . 18500 1 229 . 2 2 2 2 LEU HA H 1 3.973 0.02 . 1 . . . B 204 LEU HA . 18500 1 230 . 2 2 2 2 LEU HB2 H 1 1.411 0.02 . 2 . . . B 204 LEU HB2 . 18500 1 231 . 2 2 2 2 LEU HB3 H 1 1.344 0.02 . 2 . . . B 204 LEU HB3 . 18500 1 232 . 2 2 2 2 LEU HG H 1 0.998 0.02 . 1 . . . B 204 LEU HG . 18500 1 233 . 2 2 3 3 GLU H H 1 8.198 0.02 . 1 . . . B 205 GLU H . 18500 1 234 . 2 2 3 3 GLU HA H 1 4.109 0.02 . 1 . . . B 205 GLU HA . 18500 1 235 . 2 2 3 3 GLU HB2 H 1 1.777 0.02 . 2 . . . B 205 GLU HB2 . 18500 1 236 . 2 2 3 3 GLU HB3 H 1 1.633 0.02 . 2 . . . B 205 GLU HB3 . 18500 1 237 . 2 2 3 3 GLU HG2 H 1 2.033 0.02 . 2 . . . B 205 GLU HG2 . 18500 1 238 . 2 2 4 4 SER H H 1 8.238 0.02 . 1 . . . B 206 SER H . 18500 1 239 . 2 2 4 4 SER HA H 1 4.506 0.02 . 1 . . . B 206 SER HA . 18500 1 240 . 2 2 4 4 SER HB2 H 1 3.861 0.02 . 2 . . . B 206 SER HB2 . 18500 1 241 . 2 2 4 4 SER HB3 H 1 3.802 0.02 . 2 . . . B 206 SER HB3 . 18500 1 242 . 2 2 5 5 PRO HA H 1 4.485 0.02 . 1 . . . B 207 PRO HA . 18500 1 243 . 2 2 5 5 PRO HB2 H 1 3.028 0.02 . 2 . . . B 207 PRO HB2 . 18500 1 244 . 2 2 5 5 PRO HG2 H 1 1.795 0.02 . 2 . . . B 207 PRO HG2 . 18500 1 245 . 2 2 5 5 PRO HD2 H 1 3.166 0.02 . 2 . . . B 207 PRO HD2 . 18500 1 246 . 2 2 5 5 PRO HD3 H 1 3.372 0.02 . 2 . . . B 207 PRO HD3 . 18500 1 247 . 2 2 6 6 PRO HA H 1 4.475 0.02 . 1 . . . B 208 PRO HA . 18500 1 248 . 2 2 6 6 PRO HB2 H 1 0.965 0.02 . 2 . . . B 208 PRO HB2 . 18500 1 249 . 2 2 6 6 PRO HB3 H 1 0.327 0.02 . 2 . . . B 208 PRO HB3 . 18500 1 250 . 2 2 6 6 PRO HD2 H 1 2.095 0.02 . 2 . . . B 208 PRO HD2 . 18500 1 251 . 2 2 6 6 PRO HD3 H 1 1.658 0.02 . 2 . . . B 208 PRO HD3 . 18500 1 252 . 2 2 7 7 PRO HA H 1 4.642 0.02 . 1 . . . B 209 PRO HA . 18500 1 253 . 2 2 7 7 PRO HB2 H 1 2.116 0.02 . 2 . . . B 209 PRO HB2 . 18500 1 254 . 2 2 7 7 PRO HG2 H 1 1.775 0.02 . 2 . . . B 209 PRO HG2 . 18500 1 255 . 2 2 7 7 PRO HG3 H 1 0.894 0.02 . 2 . . . B 209 PRO HG3 . 18500 1 256 . 2 2 7 7 PRO HD2 H 1 3.582 0.02 . 2 . . . B 209 PRO HD2 . 18500 1 257 . 2 2 7 7 PRO HD3 H 1 3.364 0.02 . 2 . . . B 209 PRO HD3 . 18500 1 258 . 2 2 8 8 PRO HD2 H 1 3.518 0.02 . 2 . . . B 210 PRO HD2 . 18500 1 259 . 2 2 8 8 PRO HD3 H 1 3.359 0.02 . 2 . . . B 210 PRO HD3 . 18500 1 260 . 2 2 9 9 TYR H H 1 8.240 0.02 . 1 . . . B 211 TYR H . 18500 1 261 . 2 2 9 9 TYR HA H 1 3.551 0.02 . 1 . . . B 211 TYR HA . 18500 1 262 . 2 2 9 9 TYR HB2 H 1 2.905 0.02 . 2 . . . B 211 TYR HB2 . 18500 1 263 . 2 2 9 9 TYR HB3 H 1 2.817 0.02 . 2 . . . B 211 TYR HB3 . 18500 1 264 . 2 2 9 9 TYR HD1 H 1 6.558 0.02 . 3 . . . B 211 TYR HD1 . 18500 1 265 . 2 2 9 9 TYR HD2 H 1 6.558 0.02 . 3 . . . B 211 TYR HD2 . 18500 1 266 . 2 2 9 9 TYR HE1 H 1 6.166 0.02 . 3 . . . B 211 TYR HE1 . 18500 1 267 . 2 2 9 9 TYR HE2 H 1 6.166 0.02 . 3 . . . B 211 TYR HE2 . 18500 1 268 . 2 2 10 10 SER H H 1 8.116 0.02 . 1 . . . B 212 SER H . 18500 1 269 . 2 2 10 10 SER HA H 1 3.873 0.02 . 1 . . . B 212 SER HA . 18500 1 270 . 2 2 10 10 SER HB2 H 1 3.791 0.02 . 2 . . . B 212 SER HB2 . 18500 1 271 . 2 2 10 10 SER HB3 H 1 3.361 0.02 . 2 . . . B 212 SER HB3 . 18500 1 272 . 2 2 11 11 ARG HA H 1 3.852 0.02 . 1 . . . B 213 ARG HA . 18500 1 273 . 2 2 11 11 ARG HE H 1 7.596 0.02 . 1 . . . B 213 ARG HE . 18500 1 274 . 2 2 12 12 TYR HA H 1 4.443 0.02 . 1 . . . B 214 TYR HA . 18500 1 275 . 2 2 12 12 TYR HB2 H 1 2.086 0.02 . 2 . . . B 214 TYR HB2 . 18500 1 276 . 2 2 12 12 TYR HD1 H 1 6.925 0.02 . 3 . . . B 214 TYR HD1 . 18500 1 277 . 2 2 12 12 TYR HD2 H 1 6.925 0.02 . 3 . . . B 214 TYR HD2 . 18500 1 278 . 2 2 12 12 TYR HE1 H 1 6.548 0.02 . 3 . . . B 214 TYR HE1 . 18500 1 279 . 2 2 12 12 TYR HE2 H 1 6.548 0.02 . 3 . . . B 214 TYR HE2 . 18500 1 280 . 2 2 13 13 PRO HD2 H 1 3.526 0.02 . 2 . . . B 215 PRO HD2 . 18500 1 281 . 2 2 13 13 PRO HD3 H 1 3.358 0.02 . 2 . . . B 215 PRO HD3 . 18500 1 stop_ save_