################################### # 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 18527 _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 0.01 _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 COSY' . . . 18527 1 2 '2D 1H-1H TOCSY' . . . 18527 1 3 '2D 1H-1H NOESY' . . . 18527 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 ALA HA H 1 4.16 0.01 . 1 . . . . 388 ALA HA . 18527 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 0.01 . 1 . . . . 388 ALA QB . 18527 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 0.01 . 1 . . . . 388 ALA QB . 18527 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 0.01 . 1 . . . . 388 ALA QB . 18527 1 5 . 1 1 2 2 ARG HA H 1 4.49 0.01 . 1 . . . . 389 ARG HA . 18527 1 6 . 1 1 2 2 ARG HB2 H 1 1.68 0.01 . 2 . . . . 389 ARG HB2 . 18527 1 7 . 1 1 2 2 ARG HB3 H 1 1.85 0.01 . 2 . . . . 389 ARG HB3 . 18527 1 8 . 1 1 2 2 ARG HG2 H 1 1.64 0.01 . 2 . . . . 389 ARG HG2 . 18527 1 9 . 1 1 2 2 ARG HG3 H 1 1.65 0.01 . 2 . . . . 389 ARG HG3 . 18527 1 10 . 1 1 2 2 ARG HD2 H 1 3.18 0.01 . 1 . . . . 389 ARG HD2 . 18527 1 11 . 1 1 2 2 ARG HD3 H 1 3.18 0.01 . 1 . . . . 389 ARG HD3 . 18527 1 12 . 1 1 2 2 ARG HE H 1 7.39 0.01 . 1 . . . . 389 ARG HE . 18527 1 13 . 1 1 3 3 ILE H H 1 8.14 0.01 . 1 . . . . 390 ILE H . 18527 1 14 . 1 1 3 3 ILE HA H 1 4.21 0.01 . 1 . . . . 390 ILE HA . 18527 1 15 . 1 1 3 3 ILE HB H 1 1.84 0.01 . 1 . . . . 390 ILE HB . 18527 1 16 . 1 1 3 3 ILE HG12 H 1 1.18 0.01 . 2 . . . . 390 ILE HG12 . 18527 1 17 . 1 1 3 3 ILE HG13 H 1 1.50 0.01 . 2 . . . . 390 ILE HG13 . 18527 1 18 . 1 1 3 3 ILE HG21 H 1 0.90 0.01 . 1 . . . . 390 ILE QG2 . 18527 1 19 . 1 1 3 3 ILE HG22 H 1 0.90 0.01 . 1 . . . . 390 ILE QG2 . 18527 1 20 . 1 1 3 3 ILE HG23 H 1 0.90 0.01 . 1 . . . . 390 ILE QG2 . 18527 1 21 . 1 1 3 3 ILE HD11 H 1 0.86 0.01 . 1 . . . . 390 ILE QD1 . 18527 1 22 . 1 1 3 3 ILE HD12 H 1 0.86 0.01 . 1 . . . . 390 ILE QD1 . 18527 1 23 . 1 1 3 3 ILE HD13 H 1 0.86 0.01 . 1 . . . . 390 ILE QD1 . 18527 1 24 . 1 1 4 4 ARG H H 1 8.19 0.01 . 1 . . . . 391 ARG H . 18527 1 25 . 1 1 4 4 ARG HA H 1 4.44 0.01 . 1 . . . . 391 ARG HA . 18527 1 26 . 1 1 4 4 ARG HB2 H 1 1.73 0.01 . 2 . . . . 391 ARG HB2 . 18527 1 27 . 1 1 4 4 ARG HB3 H 1 1.82 0.01 . 2 . . . . 391 ARG HB3 . 18527 1 28 . 1 1 4 4 ARG HG2 H 1 1.58 0.01 . 2 . . . . 391 ARG HG2 . 18527 1 29 . 1 1 4 4 ARG HG3 H 1 1.64 0.01 . 2 . . . . 391 ARG HG3 . 18527 1 30 . 1 1 4 4 ARG HD2 H 1 3.14 0.01 . 1 . . . . 391 ARG HD2 . 18527 1 31 . 1 1 4 4 ARG HD3 H 1 3.14 0.01 . 1 . . . . 391 ARG HD3 . 18527 1 32 . 1 1 4 4 ARG HE H 1 7.33 0.01 . 1 . . . . 391 ARG HE . 18527 1 33 . 1 1 5 5 ALA H H 1 8.02 0.01 . 1 . . . . 392 ALA H . 18527 1 34 . 1 1 5 5 ALA HA H 1 4.47 0.01 . 1 . . . . 392 ALA HA . 18527 1 35 . 1 1 5 5 ALA HB1 H 1 1.18 0.01 . 1 . . . . 392 ALA QB . 18527 1 36 . 1 1 5 5 ALA HB2 H 1 1.18 0.01 . 1 . . . . 392 ALA QB . 18527 1 37 . 1 1 5 5 ALA HB3 H 1 1.18 0.01 . 1 . . . . 392 ALA QB . 18527 1 38 . 1 1 6 6 PRO HA H 1 4.32 0.01 . 1 . . . . 393 PRO HA . 18527 1 39 . 1 1 6 6 PRO HB2 H 1 1.81 0.01 . 2 . . . . 393 PRO HB2 . 18527 1 40 . 1 1 6 6 PRO HB3 H 1 2.19 0.01 . 2 . . . . 393 PRO HB3 . 18527 1 41 . 1 1 6 6 PRO HG2 H 1 1.90 0.01 . 2 . . . . 393 PRO HG2 . 18527 1 42 . 1 1 6 6 PRO HG3 H 1 1.97 0.01 . 2 . . . . 393 PRO HG3 . 18527 1 43 . 1 1 6 6 PRO HD2 H 1 3.50 0.01 . 2 . . . . 393 PRO HD2 . 18527 1 44 . 1 1 6 6 PRO HD3 H 1 3.70 0.01 . 2 . . . . 393 PRO HD3 . 18527 1 45 . 1 1 7 7 PHE H H 1 7.17 0.01 . 1 . . . . 394 PHE H . 18527 1 46 . 1 1 7 7 PHE HA H 1 4.48 0.01 . 1 . . . . 394 PHE HA . 18527 1 47 . 1 1 7 7 PHE HB2 H 1 3.07 0.01 . 2 . . . . 394 PHE HB2 . 18527 1 48 . 1 1 7 7 PHE HB3 H 1 3.14 0.01 . 2 . . . . 394 PHE HB3 . 18527 1 49 . 1 1 7 7 PHE HD1 H 1 7.13 0.01 . 3 . . . . 394 PHE HD1 . 18527 1 50 . 1 1 7 7 PHE HD2 H 1 7.13 0.01 . 3 . . . . 394 PHE HD2 . 18527 1 51 . 1 1 7 7 PHE HE1 H 1 7.30 0.01 . 3 . . . . 394 PHE HE1 . 18527 1 52 . 1 1 7 7 PHE HE2 H 1 7.30 0.01 . 3 . . . . 394 PHE HE2 . 18527 1 53 . 1 1 7 7 PHE HZ H 1 7.26 0.01 . 1 . . . . 394 PHE HZ . 18527 1 54 . 1 1 8 8 LEU H H 1 7.54 0.01 . 1 . . . . 395 LEU H . 18527 1 55 . 1 1 8 8 LEU HA H 1 4.27 0.01 . 1 . . . . 395 LEU HA . 18527 1 56 . 1 1 8 8 LEU HB2 H 1 1.45 0.01 . 2 . . . . 395 LEU HB2 . 18527 1 57 . 1 1 8 8 LEU HB3 H 1 1.57 0.01 . 2 . . . . 395 LEU HB3 . 18527 1 58 . 1 1 8 8 LEU HG H 1 1.57 0.01 . 1 . . . . 395 LEU HG . 18527 1 59 . 1 1 8 8 LEU HD11 H 1 0.86 0.01 . 2 . . . . 395 LEU QD1 . 18527 1 60 . 1 1 8 8 LEU HD12 H 1 0.86 0.01 . 2 . . . . 395 LEU QD1 . 18527 1 61 . 1 1 8 8 LEU HD13 H 1 0.86 0.01 . 2 . . . . 395 LEU QD1 . 18527 1 62 . 1 1 8 8 LEU HD21 H 1 0.90 0.01 . 2 . . . . 395 LEU QD2 . 18527 1 63 . 1 1 8 8 LEU HD22 H 1 0.90 0.01 . 2 . . . . 395 LEU QD2 . 18527 1 64 . 1 1 8 8 LEU HD23 H 1 0.90 0.01 . 2 . . . . 395 LEU QD2 . 18527 1 65 . 1 1 9 9 HIS H H 1 8.04 0.01 . 1 . . . . 396 HIS H . 18527 1 66 . 1 1 9 9 HIS HA H 1 4.54 0.01 . 1 . . . . 396 HIS HA . 18527 1 67 . 1 1 9 9 HIS HB2 H 1 3.10 0.01 . 1 . . . . 396 HIS HB2 . 18527 1 68 . 1 1 9 9 HIS HB3 H 1 3.10 0.01 . 1 . . . . 396 HIS HB3 . 18527 1 69 . 1 1 9 9 HIS HD2 H 1 7.00 0.01 . 1 . . . . 396 HIS HD2 . 18527 1 70 . 1 1 9 9 HIS HE1 H 1 8.23 0.01 . 1 . . . . 396 HIS HE1 . 18527 1 71 . 1 1 10 10 TRP H H 1 7.81 0.01 . 1 . . . . 397 TRP H . 18527 1 72 . 1 1 10 10 TRP HA H 1 4.61 0.01 . 1 . . . . 397 TRP HA . 18527 1 73 . 1 1 10 10 TRP HB2 H 1 3.23 0.01 . 1 . . . . 397 TRP HB2 . 18527 1 74 . 1 1 10 10 TRP HB3 H 1 3.23 0.01 . 1 . . . . 397 TRP HB3 . 18527 1 75 . 1 1 10 10 TRP HD1 H 1 7.12 0.01 . 1 . . . . 397 TRP HD1 . 18527 1 76 . 1 1 10 10 TRP HE1 H 1 9.90 0.01 . 1 . . . . 397 TRP HE1 . 18527 1 77 . 1 1 10 10 TRP HE3 H 1 7.54 0.01 . 1 . . . . 397 TRP HE3 . 18527 1 78 . 1 1 10 10 TRP HZ2 H 1 7.46 0.01 . 1 . . . . 397 TRP HZ2 . 18527 1 79 . 1 1 10 10 TRP HZ3 H 1 7.14 0.01 . 1 . . . . 397 TRP HZ3 . 18527 1 80 . 1 1 10 10 TRP HH2 H 1 7.22 0.01 . 1 . . . . 397 TRP HH2 . 18527 1 81 . 1 1 11 11 TYR H H 1 7.82 0.01 . 1 . . . . 398 TYR H . 18527 1 82 . 1 1 11 11 TYR HA H 1 4.48 0.01 . 1 . . . . 398 TYR HA . 18527 1 83 . 1 1 11 11 TYR HB2 H 1 2.80 0.01 . 2 . . . . 398 TYR HB2 . 18527 1 84 . 1 1 11 11 TYR HB3 H 1 2.88 0.01 . 2 . . . . 398 TYR HB3 . 18527 1 85 . 1 1 11 11 TYR HD1 H 1 7.03 0.01 . 3 . . . . 398 TYR HD1 . 18527 1 86 . 1 1 11 11 TYR HD2 H 1 7.03 0.01 . 3 . . . . 398 TYR HD2 . 18527 1 87 . 1 1 11 11 TYR HE1 H 1 6.82 0.01 . 3 . . . . 398 TYR HE1 . 18527 1 88 . 1 1 11 11 TYR HE2 H 1 6.82 0.01 . 3 . . . . 398 TYR HE2 . 18527 1 89 . 1 1 12 12 THR H H 1 7.93 0.01 . 1 . . . . 399 THR H . 18527 1 90 . 1 1 12 12 THR HA H 1 4.34 0.01 . 1 . . . . 399 THR HA . 18527 1 91 . 1 1 12 12 THR HB H 1 4.34 0.01 . 1 . . . . 399 THR HB . 18527 1 92 . 1 1 12 12 THR HG21 H 1 1.23 0.01 . 1 . . . . 399 THR QG2 . 18527 1 93 . 1 1 12 12 THR HG22 H 1 1.23 0.01 . 1 . . . . 399 THR QG2 . 18527 1 94 . 1 1 12 12 THR HG23 H 1 1.23 0.01 . 1 . . . . 399 THR QG2 . 18527 1 95 . 1 1 13 13 GLY H H 1 7.53 0.01 . 1 . . . . 400 GLY H . 18527 1 96 . 1 1 13 13 GLY HA2 H 1 3.86 0.01 . 2 . . . . 400 GLY HA2 . 18527 1 97 . 1 1 13 13 GLY HA3 H 1 4.04 0.01 . 2 . . . . 400 GLY HA3 . 18527 1 98 . 1 1 14 14 GLU H H 1 8.20 0.01 . 1 . . . . 401 GLU H . 18527 1 99 . 1 1 14 14 GLU HA H 1 4.36 0.01 . 1 . . . . 401 GLU HA . 18527 1 100 . 1 1 14 14 GLU HB2 H 1 1.98 0.01 . 2 . . . . 401 GLU HB2 . 18527 1 101 . 1 1 14 14 GLU HB3 H 1 2.09 0.01 . 2 . . . . 401 GLU HB3 . 18527 1 102 . 1 1 14 14 GLU HG2 H 1 2.32 0.01 . 1 . . . . 401 GLU HG2 . 18527 1 103 . 1 1 14 14 GLU HG3 H 1 2.32 0.01 . 1 . . . . 401 GLU HG3 . 18527 1 104 . 1 1 15 15 GLY H H 1 8.51 0.01 . 1 . . . . 402 GLY H . 18527 1 105 . 1 1 15 15 GLY HA2 H 1 3.94 0.01 . 2 . . . . 402 GLY HA2 . 18527 1 106 . 1 1 15 15 GLY HA3 H 1 4.02 0.01 . 2 . . . . 402 GLY HA3 . 18527 1 107 . 1 1 16 16 MET H H 1 8.10 0.01 . 1 . . . . 403 MET H . 18527 1 108 . 1 1 16 16 MET HA H 1 4.52 0.01 . 1 . . . . 403 MET HA . 18527 1 109 . 1 1 16 16 MET HB2 H 1 2.02 0.01 . 2 . . . . 403 MET HB2 . 18527 1 110 . 1 1 16 16 MET HB3 H 1 2.12 0.01 . 2 . . . . 403 MET HB3 . 18527 1 111 . 1 1 16 16 MET HG2 H 1 2.49 0.01 . 2 . . . . 403 MET HG2 . 18527 1 112 . 1 1 16 16 MET HG3 H 1 2.56 0.01 . 2 . . . . 403 MET HG3 . 18527 1 113 . 1 1 17 17 ASP H H 1 8.44 0.01 . 1 . . . . 404 ASP H . 18527 1 114 . 1 1 17 17 ASP HA H 1 4.63 0.01 . 1 . . . . 404 ASP HA . 18527 1 115 . 1 1 17 17 ASP HB2 H 1 2.77 0.01 . 1 . . . . 404 ASP HB2 . 18527 1 116 . 1 1 17 17 ASP HB3 H 1 2.77 0.01 . 1 . . . . 404 ASP HB3 . 18527 1 117 . 1 1 18 18 GLU H H 1 8.53 0.01 . 1 . . . . 405 GLU H . 18527 1 118 . 1 1 18 18 GLU HA H 1 4.24 0.01 . 1 . . . . 405 GLU HA . 18527 1 119 . 1 1 18 18 GLU HB2 H 1 2.06 0.01 . 1 . . . . 405 GLU HB2 . 18527 1 120 . 1 1 18 18 GLU HB3 H 1 2.14 0.01 . 1 . . . . 405 GLU HB3 . 18527 1 121 . 1 1 18 18 GLU HG2 H 1 2.36 0.01 . 1 . . . . 405 GLU HG2 . 18527 1 122 . 1 1 18 18 GLU HG3 H 1 2.36 0.01 . 1 . . . . 405 GLU HG3 . 18527 1 123 . 1 1 19 19 MET H H 1 8.25 0.01 . 1 . . . . 406 MET H . 18527 1 124 . 1 1 19 19 MET HA H 1 4.52 0.01 . 1 . . . . 406 MET HA . 18527 1 125 . 1 1 19 19 MET HB2 H 1 2.06 0.01 . 1 . . . . 406 MET HB2 . 18527 1 126 . 1 1 19 19 MET HB3 H 1 2.06 0.01 . 1 . . . . 406 MET HB3 . 18527 1 127 . 1 1 19 19 MET HG2 H 1 2.54 0.01 . 2 . . . . 406 MET HG2 . 18527 1 128 . 1 1 19 19 MET HG3 H 1 2.60 0.01 . 2 . . . . 406 MET HG3 . 18527 1 129 . 1 1 20 20 GLU HA H 1 4.24 0.01 . 1 . . . . 407 GLU HA . 18527 1 130 . 1 1 20 20 GLU HB2 H 1 2.04 0.01 . 1 . . . . 407 GLU HB2 . 18527 1 131 . 1 1 20 20 GLU HB3 H 1 2.10 0.01 . 1 . . . . 407 GLU HB3 . 18527 1 132 . 1 1 20 20 GLU HG2 H 1 2.30 0.01 . 1 . . . . 407 GLU HG2 . 18527 1 133 . 1 1 20 20 GLU HG3 H 1 2.35 0.01 . 1 . . . . 407 GLU HG3 . 18527 1 134 . 1 1 21 21 PHE H H 1 8.25 0.01 . 1 . . . . 408 PHE H . 18527 1 135 . 1 1 21 21 PHE HA H 1 4.58 0.01 . 1 . . . . 408 PHE HA . 18527 1 136 . 1 1 21 21 PHE HB2 H 1 3.12 0.01 . 2 . . . . 408 PHE HB2 . 18527 1 137 . 1 1 21 21 PHE HB3 H 1 3.22 0.01 . 2 . . . . 408 PHE HB3 . 18527 1 138 . 1 1 21 21 PHE HD1 H 1 7.26 0.01 . 3 . . . . 408 PHE HD1 . 18527 1 139 . 1 1 21 21 PHE HD2 H 1 7.26 0.01 . 3 . . . . 408 PHE HD2 . 18527 1 140 . 1 1 21 21 PHE HE1 H 1 7.32 0.01 . 3 . . . . 408 PHE HE1 . 18527 1 141 . 1 1 21 21 PHE HE2 H 1 7.32 0.01 . 3 . . . . 408 PHE HE2 . 18527 1 142 . 1 1 22 22 THR H H 1 8.12 0.01 . 1 . . . . 409 THR H . 18527 1 143 . 1 1 22 22 THR HA H 1 4.36 0.01 . 1 . . . . 409 THR HA . 18527 1 144 . 1 1 22 22 THR HB H 1 4.21 0.01 . 1 . . . . 409 THR HB . 18527 1 145 . 1 1 22 22 THR HG21 H 1 1.31 0.01 . 1 . . . . 409 THR QG2 . 18527 1 146 . 1 1 22 22 THR HG22 H 1 1.31 0.01 . 1 . . . . 409 THR QG2 . 18527 1 147 . 1 1 22 22 THR HG23 H 1 1.31 0.01 . 1 . . . . 409 THR QG2 . 18527 1 148 . 1 1 23 23 GLU H H 1 8.32 0.01 . 1 . . . . 410 GLU H . 18527 1 149 . 1 1 24 24 ALA H H 1 8.12 0.01 . 1 . . . . 411 ALA H . 18527 1 150 . 1 1 24 24 ALA HA H 1 4.22 0.01 . 1 . . . . 411 ALA HA . 18527 1 151 . 1 1 24 24 ALA HB1 H 1 1.47 0.01 . 1 . . . . 411 ALA QB . 18527 1 152 . 1 1 24 24 ALA HB2 H 1 1.47 0.01 . 1 . . . . 411 ALA QB . 18527 1 153 . 1 1 24 24 ALA HB3 H 1 1.47 0.01 . 1 . . . . 411 ALA QB . 18527 1 154 . 1 1 25 25 GLU H H 1 8.27 0.01 . 1 . . . . 412 GLU H . 18527 1 155 . 1 1 25 25 GLU HA H 1 4.11 0.01 . 1 . . . . 412 GLU HA . 18527 1 156 . 1 1 25 25 GLU HB2 H 1 2.04 0.01 . 1 . . . . 412 GLU HB2 . 18527 1 157 . 1 1 25 25 GLU HB3 H 1 2.04 0.01 . 1 . . . . 412 GLU HB3 . 18527 1 158 . 1 1 25 25 GLU HG2 H 1 2.28 0.01 . 1 . . . . 412 GLU HG2 . 18527 1 159 . 1 1 25 25 GLU HG3 H 1 2.28 0.01 . 1 . . . . 412 GLU HG3 . 18527 1 160 . 1 1 26 26 SER H H 1 8.12 0.01 . 1 . . . . 413 SER H . 18527 1 161 . 1 1 26 26 SER HA H 1 4.35 0.01 . 1 . . . . 413 SER HA . 18527 1 162 . 1 1 26 26 SER HB2 H 1 4.00 0.01 . 1 . . . . 413 SER HB2 . 18527 1 163 . 1 1 26 26 SER HB3 H 1 4.00 0.01 . 1 . . . . 413 SER HB3 . 18527 1 164 . 1 1 27 27 ASN H H 1 8.32 0.01 . 1 . . . . 414 ASN H . 18527 1 165 . 1 1 27 27 ASN HA H 1 4.56 0.01 . 1 . . . . 414 ASN HA . 18527 1 166 . 1 1 27 27 ASN HB2 H 1 2.90 0.01 . 1 . . . . 414 ASN HB2 . 18527 1 167 . 1 1 27 27 ASN HB3 H 1 2.90 0.01 . 1 . . . . 414 ASN HB3 . 18527 1 168 . 1 1 27 27 ASN HD21 H 1 6.93 0.01 . 2 . . . . 414 ASN HD21 . 18527 1 169 . 1 1 27 27 ASN HD22 H 1 7.52 0.01 . 2 . . . . 414 ASN HD22 . 18527 1 170 . 1 1 28 28 MET H H 1 8.30 0.01 . 1 . . . . 415 MET H . 18527 1 171 . 1 1 28 28 MET HA H 1 4.41 0.01 . 1 . . . . 415 MET HA . 18527 1 172 . 1 1 28 28 MET HB2 H 1 2.11 0.01 . 2 . . . . 415 MET HB2 . 18527 1 173 . 1 1 28 28 MET HB3 H 1 2.16 0.01 . 2 . . . . 415 MET HB3 . 18527 1 174 . 1 1 28 28 MET HG2 H 1 2.54 0.01 . 2 . . . . 415 MET HG2 . 18527 1 175 . 1 1 28 28 MET HG3 H 1 2.62 0.01 . 2 . . . . 415 MET HG3 . 18527 1 176 . 1 1 29 29 ASN H H 1 8.30 0.01 . 1 . . . . 416 ASN H . 18527 1 177 . 1 1 29 29 ASN HA H 1 4.52 0.01 . 1 . . . . 416 ASN HA . 18527 1 178 . 1 1 29 29 ASN HB2 H 1 2.89 0.01 . 1 . . . . 416 ASN HB2 . 18527 1 179 . 1 1 29 29 ASN HB3 H 1 2.89 0.01 . 1 . . . . 416 ASN HB3 . 18527 1 180 . 1 1 29 29 ASN HD21 H 1 6.79 0.01 . 2 . . . . 416 ASN HD21 . 18527 1 181 . 1 1 29 29 ASN HD22 H 1 7.64 0.01 . 2 . . . . 416 ASN HD22 . 18527 1 182 . 1 1 30 30 ASP H H 1 8.18 0.01 . 1 . . . . 417 ASP H . 18527 1 183 . 1 1 30 30 ASP HA H 1 4.56 0.01 . 1 . . . . 417 ASP HA . 18527 1 184 . 1 1 30 30 ASP HB2 H 1 2.82 0.01 . 1 . . . . 417 ASP HB2 . 18527 1 185 . 1 1 30 30 ASP HB3 H 1 2.82 0.01 . 1 . . . . 417 ASP HB3 . 18527 1 186 . 1 1 31 31 LEU H H 1 7.94 0.01 . 1 . . . . 418 LEU H . 18527 1 187 . 1 1 31 31 LEU HA H 1 4.23 0.01 . 1 . . . . 418 LEU HA . 18527 1 188 . 1 1 31 31 LEU HB2 H 1 1.75 0.01 . 2 . . . . 418 LEU HB2 . 18527 1 189 . 1 1 31 31 LEU HB3 H 1 1.86 0.01 . 2 . . . . 418 LEU HB3 . 18527 1 190 . 1 1 31 31 LEU HG H 1 1.75 0.01 . 1 . . . . 418 LEU HG . 18527 1 191 . 1 1 31 31 LEU HD11 H 1 0.91 0.01 . 2 . . . . 418 LEU QD1 . 18527 1 192 . 1 1 31 31 LEU HD12 H 1 0.91 0.01 . 2 . . . . 418 LEU QD1 . 18527 1 193 . 1 1 31 31 LEU HD13 H 1 0.91 0.01 . 2 . . . . 418 LEU QD1 . 18527 1 194 . 1 1 31 31 LEU HD21 H 1 0.96 0.01 . 2 . . . . 418 LEU QD2 . 18527 1 195 . 1 1 31 31 LEU HD22 H 1 0.96 0.01 . 2 . . . . 418 LEU QD2 . 18527 1 196 . 1 1 31 31 LEU HD23 H 1 0.96 0.01 . 2 . . . . 418 LEU QD2 . 18527 1 197 . 1 1 32 32 VAL H H 1 7.95 0.01 . 1 . . . . 419 VAL H . 18527 1 198 . 1 1 32 32 VAL HA H 1 3.86 0.01 . 1 . . . . 419 VAL HA . 18527 1 199 . 1 1 32 32 VAL HB H 1 2.22 0.01 . 1 . . . . 419 VAL HB . 18527 1 200 . 1 1 32 32 VAL HG11 H 1 1.03 0.01 . 2 . . . . 419 VAL QG1 . 18527 1 201 . 1 1 32 32 VAL HG12 H 1 1.03 0.01 . 2 . . . . 419 VAL QG1 . 18527 1 202 . 1 1 32 32 VAL HG13 H 1 1.03 0.01 . 2 . . . . 419 VAL QG1 . 18527 1 203 . 1 1 32 32 VAL HG21 H 1 1.10 0.01 . 2 . . . . 419 VAL QG2 . 18527 1 204 . 1 1 32 32 VAL HG22 H 1 1.10 0.01 . 2 . . . . 419 VAL QG2 . 18527 1 205 . 1 1 32 32 VAL HG23 H 1 1.10 0.01 . 2 . . . . 419 VAL QG2 . 18527 1 206 . 1 1 33 33 SER H H 1 8.10 0.01 . 1 . . . . 420 SER H . 18527 1 207 . 1 1 33 33 SER HA H 1 4.37 0.01 . 1 . . . . 420 SER HA . 18527 1 208 . 1 1 33 33 SER HB2 H 1 4.02 0.01 . 2 . . . . 420 SER HB2 . 18527 1 209 . 1 1 33 33 SER HB3 H 1 4.11 0.01 . 2 . . . . 420 SER HB3 . 18527 1 210 . 1 1 34 34 GLU H H 1 8.22 0.01 . 1 . . . . 421 GLU H . 18527 1 211 . 1 1 34 34 GLU HA H 1 4.19 0.01 . 1 . . . . 421 GLU HA . 18527 1 212 . 1 1 34 34 GLU HG2 H 1 2.35 0.01 . 2 . . . . 421 GLU HG2 . 18527 1 213 . 1 1 34 34 GLU HG3 H 1 2.45 0.01 . 2 . . . . 421 GLU HG3 . 18527 1 214 . 1 1 35 35 TYR H H 1 8.38 0.01 . 1 . . . . 422 TYR H . 18527 1 215 . 1 1 35 35 TYR HA H 1 4.38 0.01 . 1 . . . . 422 TYR HA . 18527 1 216 . 1 1 35 35 TYR HB2 H 1 3.20 0.01 . 1 . . . . 422 TYR HB2 . 18527 1 217 . 1 1 35 35 TYR HB3 H 1 3.20 0.01 . 1 . . . . 422 TYR HB3 . 18527 1 218 . 1 1 35 35 TYR HD1 H 1 7.13 0.01 . 3 . . . . 422 TYR HD1 . 18527 1 219 . 1 1 35 35 TYR HD2 H 1 7.13 0.01 . 3 . . . . 422 TYR HD2 . 18527 1 220 . 1 1 35 35 TYR HE1 H 1 6.83 0.01 . 3 . . . . 422 TYR HE1 . 18527 1 221 . 1 1 35 35 TYR HE2 H 1 6.83 0.01 . 3 . . . . 422 TYR HE2 . 18527 1 222 . 1 1 36 36 GLN H H 1 8.45 0.01 . 1 . . . . 423 GLN H . 18527 1 223 . 1 1 36 36 GLN HA H 1 4.04 0.01 . 1 . . . . 423 GLN HA . 18527 1 224 . 1 1 36 36 GLN HB2 H 1 2.21 0.01 . 2 . . . . 423 GLN HB2 . 18527 1 225 . 1 1 36 36 GLN HB3 H 1 2.27 0.01 . 2 . . . . 423 GLN HB3 . 18527 1 226 . 1 1 36 36 GLN HG2 H 1 2.46 0.01 . 2 . . . . 423 GLN HG2 . 18527 1 227 . 1 1 36 36 GLN HG3 H 1 2.58 0.01 . 2 . . . . 423 GLN HG3 . 18527 1 228 . 1 1 36 36 GLN HE21 H 1 7.38 0.01 . 1 . . . . 423 GLN HE21 . 18527 1 229 . 1 1 36 36 GLN HE22 H 1 6.70 0.01 . 1 . . . . 423 GLN HE22 . 18527 1 230 . 1 1 37 37 GLN H H 1 8.05 0.01 . 1 . . . . 424 GLN H . 18527 1 231 . 1 1 37 37 GLN HA H 1 4.19 0.01 . 1 . . . . 424 GLN HA . 18527 1 232 . 1 1 37 37 GLN HB2 H 1 2.16 0.01 . 1 . . . . 424 GLN HB2 . 18527 1 233 . 1 1 37 37 GLN HB3 H 1 2.16 0.01 . 1 . . . . 424 GLN HB3 . 18527 1 234 . 1 1 37 37 GLN HG2 H 1 2.35 0.01 . 2 . . . . 424 GLN HG2 . 18527 1 235 . 1 1 37 37 GLN HG3 H 1 2.43 0.01 . 2 . . . . 424 GLN HG3 . 18527 1 236 . 1 1 37 37 GLN HE21 H 1 6.73 0.01 . 2 . . . . 424 GLN HE21 . 18527 1 237 . 1 1 37 37 GLN HE22 H 1 7.30 0.01 . 2 . . . . 424 GLN HE22 . 18527 1 238 . 1 1 38 38 TYR H H 1 8.04 0.01 . 1 . . . . 425 TYR H . 18527 1 239 . 1 1 38 38 TYR HA H 1 4.40 0.01 . 1 . . . . 425 TYR HA . 18527 1 240 . 1 1 38 38 TYR HB2 H 1 2.04 0.01 . 2 . . . . 425 TYR HB2 . 18527 1 241 . 1 1 38 38 TYR HB3 H 1 2.08 0.01 . 2 . . . . 425 TYR HB3 . 18527 1 242 . 1 1 38 38 TYR HD1 H 1 7.09 0.01 . 3 . . . . 425 TYR HD1 . 18527 1 243 . 1 1 38 38 TYR HD2 H 1 7.09 0.01 . 3 . . . . 425 TYR HD2 . 18527 1 244 . 1 1 38 38 TYR HE1 H 1 6.82 0.01 . 3 . . . . 425 TYR HE1 . 18527 1 245 . 1 1 38 38 TYR HE2 H 1 6.82 0.01 . 3 . . . . 425 TYR HE2 . 18527 1 246 . 1 1 39 39 GLN H H 1 8.19 0.01 . 1 . . . . 426 GLN H . 18527 1 247 . 1 1 39 39 GLN HA H 1 4.03 0.01 . 1 . . . . 426 GLN HA . 18527 1 248 . 1 1 39 39 GLN HB2 H 1 2.04 0.01 . 2 . . . . 426 GLN HB2 . 18527 1 249 . 1 1 39 39 GLN HB3 H 1 2.08 0.01 . 2 . . . . 426 GLN HB3 . 18527 1 250 . 1 1 39 39 GLN HG2 H 1 2.26 0.01 . 1 . . . . 426 GLN HG2 . 18527 1 251 . 1 1 39 39 GLN HG3 H 1 2.26 0.01 . 1 . . . . 426 GLN HG3 . 18527 1 252 . 1 1 39 39 GLN HE21 H 1 6.69 0.01 . 2 . . . . 426 GLN HE21 . 18527 1 253 . 1 1 39 39 GLN HE22 H 1 7.02 0.01 . 2 . . . . 426 GLN HE22 . 18527 1 254 . 1 1 40 40 ASP H H 1 8.25 0.01 . 1 . . . . 427 ASP H . 18527 1 255 . 1 1 40 40 ASP HA H 1 4.56 0.01 . 1 . . . . 427 ASP HA . 18527 1 256 . 1 1 40 40 ASP HB2 H 1 2.77 0.01 . 1 . . . . 427 ASP HB2 . 18527 1 257 . 1 1 40 40 ASP HB3 H 1 2.77 0.01 . 1 . . . . 427 ASP HB3 . 18527 1 258 . 1 1 41 41 ALA H H 1 8.12 0.01 . 1 . . . . 428 ALA H . 18527 1 259 . 1 1 41 41 ALA HA H 1 4.34 0.01 . 1 . . . . 428 ALA HA . 18527 1 260 . 1 1 41 41 ALA HB1 H 1 1.51 0.01 . 1 . . . . 428 ALA QB . 18527 1 261 . 1 1 41 41 ALA HB2 H 1 1.51 0.01 . 1 . . . . 428 ALA QB . 18527 1 262 . 1 1 41 41 ALA HB3 H 1 1.51 0.01 . 1 . . . . 428 ALA QB . 18527 1 263 . 1 1 42 42 THR H H 1 7.90 0.01 . 1 . . . . 429 THR H . 18527 1 264 . 1 1 42 42 THR HA H 1 4.31 0.01 . 1 . . . . 429 THR HA . 18527 1 265 . 1 1 42 42 THR HB H 1 4.28 0.01 . 1 . . . . 429 THR HB . 18527 1 266 . 1 1 42 42 THR HG21 H 1 1.15 0.01 . 1 . . . . 429 THR QG2 . 18527 1 267 . 1 1 42 42 THR HG22 H 1 1.15 0.01 . 1 . . . . 429 THR QG2 . 18527 1 268 . 1 1 42 42 THR HG23 H 1 1.15 0.01 . 1 . . . . 429 THR QG2 . 18527 1 269 . 1 1 43 43 ALA H H 1 7.93 0.01 . 1 . . . . 430 ALA H . 18527 1 270 . 1 1 43 43 ALA HA H 1 4.31 0.01 . 1 . . . . 430 ALA HA . 18527 1 271 . 1 1 43 43 ALA HB1 H 1 1.50 0.01 . 1 . . . . 430 ALA QB . 18527 1 272 . 1 1 43 43 ALA HB2 H 1 1.50 0.01 . 1 . . . . 430 ALA QB . 18527 1 273 . 1 1 43 43 ALA HB3 H 1 1.50 0.01 . 1 . . . . 430 ALA QB . 18527 1 274 . 1 1 44 44 ASP H H 1 8.24 0.01 . 1 . . . . 431 ASP H . 18527 1 275 . 1 1 44 44 ASP HA H 1 4.65 0.01 . 1 . . . . 431 ASP HA . 18527 1 276 . 1 1 44 44 ASP HB2 H 1 2.72 0.01 . 2 . . . . 431 ASP HB2 . 18527 1 277 . 1 1 44 44 ASP HB3 H 1 2.79 0.01 . 2 . . . . 431 ASP HB3 . 18527 1 278 . 1 1 45 45 GLU H H 1 8.27 0.01 . 1 . . . . 432 GLU H . 18527 1 279 . 1 1 46 46 GLN H H 1 8.34 0.01 . 1 . . . . 433 GLN H . 18527 1 280 . 1 1 46 46 GLN HA H 1 4.38 0.01 . 1 . . . . 433 GLN HA . 18527 1 281 . 1 1 46 46 GLN HB2 H 1 2.10 0.01 . 2 . . . . 433 GLN HB2 . 18527 1 282 . 1 1 46 46 GLN HB3 H 1 2.23 0.01 . 2 . . . . 433 GLN HB3 . 18527 1 283 . 1 1 46 46 GLN HG2 H 1 2.44 0.01 . 1 . . . . 433 GLN HG2 . 18527 1 284 . 1 1 46 46 GLN HG3 H 1 2.44 0.01 . 1 . . . . 433 GLN HG3 . 18527 1 285 . 1 1 46 46 GLN HE21 H 1 6.74 0.01 . 2 . . . . 433 GLN HE21 . 18527 1 286 . 1 1 46 46 GLN HE22 H 1 7.58 0.01 . 2 . . . . 433 GLN HE22 . 18527 1 287 . 1 1 47 47 GLY H H 1 8.34 0.01 . 1 . . . . 434 GLY H . 18527 1 288 . 1 1 47 47 GLY HA2 H 1 3.94 0.01 . 2 . . . . 434 GLY HA2 . 18527 1 289 . 1 1 47 47 GLY HA3 H 1 4.01 0.01 . 2 . . . . 434 GLY HA3 . 18527 1 290 . 1 1 48 48 GLU H H 1 8.20 0.01 . 1 . . . . 435 GLU H . 18527 1 291 . 1 1 48 48 GLU HA H 1 4.32 0.01 . 1 . . . . 435 GLU HA . 18527 1 292 . 1 1 48 48 GLU HB2 H 1 1.91 0.01 . 2 . . . . 435 GLU HB2 . 18527 1 293 . 1 1 48 48 GLU HB3 H 1 1.97 0.01 . 2 . . . . 435 GLU HB3 . 18527 1 294 . 1 1 48 48 GLU HG2 H 1 2.19 0.01 . 2 . . . . 435 GLU HG2 . 18527 1 295 . 1 1 48 48 GLU HG3 H 1 2.25 0.01 . 2 . . . . 435 GLU HG3 . 18527 1 296 . 1 1 49 49 PHE H H 1 8.22 0.01 . 1 . . . . 436 PHE H . 18527 1 297 . 1 1 49 49 PHE HA H 1 4.69 0.01 . 1 . . . . 436 PHE HA . 18527 1 298 . 1 1 49 49 PHE HB2 H 1 3.07 0.01 . 2 . . . . 436 PHE HB2 . 18527 1 299 . 1 1 49 49 PHE HB3 H 1 3.23 0.01 . 2 . . . . 436 PHE HB3 . 18527 1 300 . 1 1 49 49 PHE HD1 H 1 7.30 0.01 . 3 . . . . 436 PHE HD1 . 18527 1 301 . 1 1 49 49 PHE HD2 H 1 7.30 0.01 . 3 . . . . 436 PHE HD2 . 18527 1 302 . 1 1 49 49 PHE HE1 H 1 7.38 0.01 . 3 . . . . 436 PHE HE1 . 18527 1 303 . 1 1 49 49 PHE HE2 H 1 7.38 0.01 . 3 . . . . 436 PHE HE2 . 18527 1 304 . 1 1 51 51 GLU HA H 1 4.35 0.01 . 9 . . . . 438 GLU HA . 18527 1 305 . 1 1 52 52 GLU H H 1 8.50 0.01 . 1 . . . . 439 GLU H . 18527 1 306 . 1 1 52 52 GLU HA H 1 4.37 0.01 . 1 . . . . 439 GLU HA . 18527 1 307 . 1 1 52 52 GLU HB2 H 1 2.04 0.01 . 2 . . . . 439 GLU HB2 . 18527 1 308 . 1 1 52 52 GLU HB3 H 1 2.15 0.01 . 2 . . . . 439 GLU HB3 . 18527 1 309 . 1 1 52 52 GLU HG2 H 1 2.38 0.01 . 1 . . . . 439 GLU HG2 . 18527 1 310 . 1 1 52 52 GLU HG3 H 1 2.38 0.01 . 1 . . . . 439 GLU HG3 . 18527 1 311 . 1 1 53 53 GLY H H 1 8.48 0.01 . 1 . . . . 440 GLY H . 18527 1 312 . 1 1 53 53 GLY HA2 H 1 4.03 0.01 . 2 . . . . 440 GLY HA2 . 18527 1 313 . 1 1 53 53 GLY HA3 H 1 4.05 0.01 . 2 . . . . 440 GLY HA3 . 18527 1 314 . 1 1 54 54 GLU H H 1 8.30 0.01 . 1 . . . . 441 GLU H . 18527 1 315 . 1 1 54 54 GLU HA H 1 4.41 0.01 . 1 . . . . 441 GLU HA . 18527 1 316 . 1 1 54 54 GLU HB2 H 1 2.01 0.01 . 2 . . . . 441 GLU HB2 . 18527 1 317 . 1 1 54 54 GLU HB3 H 1 2.16 0.01 . 2 . . . . 441 GLU HB3 . 18527 1 318 . 1 1 54 54 GLU HG2 H 1 2.36 0.01 . 1 . . . . 441 GLU HG2 . 18527 1 319 . 1 1 54 54 GLU HG3 H 1 2.36 0.01 . 1 . . . . 441 GLU HG3 . 18527 1 320 . 1 1 55 55 GLU H H 1 8.61 0.01 . 1 . . . . 442 GLU H . 18527 1 321 . 1 1 55 55 GLU HA H 1 4.36 0.01 . 1 . . . . 442 GLU HA . 18527 1 322 . 1 1 55 55 GLU HB2 H 1 2.02 0.01 . 2 . . . . 442 GLU HB2 . 18527 1 323 . 1 1 55 55 GLU HB3 H 1 2.15 0.01 . 2 . . . . 442 GLU HB3 . 18527 1 324 . 1 1 55 55 GLU HG2 H 1 2.37 0.01 . 1 . . . . 442 GLU HG2 . 18527 1 325 . 1 1 55 55 GLU HG3 H 1 2.37 0.01 . 1 . . . . 442 GLU HG3 . 18527 1 326 . 1 1 56 56 ASP H H 1 8.38 0.01 . 1 . . . . 443 ASP H . 18527 1 327 . 1 1 56 56 ASP HA H 1 4.69 0.01 . 1 . . . . 443 ASP HA . 18527 1 328 . 1 1 56 56 ASP HB2 H 1 2.71 0.01 . 2 . . . . 443 ASP HB2 . 18527 1 329 . 1 1 56 56 ASP HB3 H 1 2.78 0.01 . 2 . . . . 443 ASP HB3 . 18527 1 330 . 1 1 57 57 GLU H H 1 8.30 0.01 . 1 . . . . 444 GLU H . 18527 1 331 . 1 1 57 57 GLU HA H 1 4.44 0.01 . 1 . . . . 444 GLU HA . 18527 1 332 . 1 1 57 57 GLU HB2 H 1 2.01 0.01 . 2 . . . . 444 GLU HB2 . 18527 1 333 . 1 1 57 57 GLU HB3 H 1 2.16 0.01 . 2 . . . . 444 GLU HB3 . 18527 1 334 . 1 1 57 57 GLU HG2 H 1 2.36 0.01 . 1 . . . . 444 GLU HG2 . 18527 1 335 . 1 1 57 57 GLU HG3 H 1 2.36 0.01 . 1 . . . . 444 GLU HG3 . 18527 1 336 . 1 1 58 58 ALA H H 1 7.93 0.01 . 1 . . . . 445 ALA H . 18527 1 337 . 1 1 58 58 ALA HA H 1 4.19 0.01 . 1 . . . . 445 ALA HA . 18527 1 338 . 1 1 58 58 ALA HB1 H 1 1.40 0.01 . 1 . . . . 445 ALA QB . 18527 1 339 . 1 1 58 58 ALA HB2 H 1 1.40 0.01 . 1 . . . . 445 ALA QB . 18527 1 340 . 1 1 58 58 ALA HB3 H 1 1.40 0.01 . 1 . . . . 445 ALA QB . 18527 1 stop_ save_