################################### # 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 18528 _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' . . . 18528 1 2 '2D 1H-1H TOCSY' . . . 18528 1 3 '2D 1H-1H NOESY' . . . 18528 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 PHE HA H 1 4.24 0.01 . 1 . . . . 404 PHE HA . 18528 1 2 . 1 1 1 1 PHE HB2 H 1 3.07 0.01 . 2 . . . . 404 PHE HB2 . 18528 1 3 . 1 1 1 1 PHE HB3 H 1 3.14 0.01 . 2 . . . . 404 PHE HB3 . 18528 1 4 . 1 1 1 1 PHE HD1 H 1 7.18 0.01 . 3 . . . . 404 PHE HD1 . 18528 1 5 . 1 1 1 1 PHE HD2 H 1 7.18 0.01 . 3 . . . . 404 PHE HD2 . 18528 1 6 . 1 1 1 1 PHE HE1 H 1 7.30 0.01 . 3 . . . . 404 PHE HE1 . 18528 1 7 . 1 1 1 1 PHE HE2 H 1 7.30 0.01 . 3 . . . . 404 PHE HE2 . 18528 1 8 . 1 1 1 1 PHE HZ H 1 7.14 0.01 . 1 . . . . 404 PHE HZ . 18528 1 9 . 1 1 2 2 VAL HA H 1 4.04 0.01 . 1 . . . . 405 VAL HA . 18528 1 10 . 1 1 2 2 VAL HB H 1 1.83 0.01 . 1 . . . . 405 VAL HB . 18528 1 11 . 1 1 2 2 VAL HG11 H 1 0.68 0.01 . 2 . . . . 405 VAL HG1 . 18528 1 12 . 1 1 2 2 VAL HG12 H 1 0.68 0.01 . 2 . . . . 405 VAL HG1 . 18528 1 13 . 1 1 2 2 VAL HG13 H 1 0.68 0.01 . 2 . . . . 405 VAL HG1 . 18528 1 14 . 1 1 2 2 VAL HG21 H 1 0.80 0.01 . 2 . . . . 405 VAL HG2 . 18528 1 15 . 1 1 2 2 VAL HG22 H 1 0.80 0.01 . 2 . . . . 405 VAL HG2 . 18528 1 16 . 1 1 2 2 VAL HG23 H 1 0.80 0.01 . 2 . . . . 405 VAL HG2 . 18528 1 17 . 1 1 3 3 HIS H H 1 7.84 0.01 . 1 . . . . 406 HIS H . 18528 1 18 . 1 1 3 3 HIS HA H 1 4.59 0.01 . 1 . . . . 406 HIS HA . 18528 1 19 . 1 1 3 3 HIS HB2 H 1 3.00 0.01 . 1 . . . . 406 HIS HB2 . 18528 1 20 . 1 1 3 3 HIS HB3 H 1 3.00 0.01 . 1 . . . . 406 HIS HB3 . 18528 1 21 . 1 1 3 3 HIS HD2 H 1 7.05 0.01 . 1 . . . . 406 HIS HD2 . 18528 1 22 . 1 1 3 3 HIS HE1 H 1 8.08 0.01 . 1 . . . . 406 HIS HE1 . 18528 1 23 . 1 1 4 4 TRP H H 1 7.84 0.01 . 1 . . . . 407 TRP H . 18528 1 24 . 1 1 4 4 TRP HA H 1 4.64 0.01 . 1 . . . . 407 TRP HA . 18528 1 25 . 1 1 4 4 TRP HB2 H 1 3.17 0.01 . 1 . . . . 407 TRP HB2 . 18528 1 26 . 1 1 4 4 TRP HB3 H 1 3.17 0.01 . 1 . . . . 407 TRP HB3 . 18528 1 27 . 1 1 4 4 TRP HD1 H 1 7.14 0.01 . 1 . . . . 407 TRP HD1 . 18528 1 28 . 1 1 4 4 TRP HE1 H 1 10.06 0.01 . 1 . . . . 407 TRP HE1 . 18528 1 29 . 1 1 4 4 TRP HE3 H 1 7.50 0.01 . 1 . . . . 407 TRP HE3 . 18528 1 30 . 1 1 4 4 TRP HZ2 H 1 7.47 0.01 . 1 . . . . 407 TRP HZ2 . 18528 1 31 . 1 1 4 4 TRP HZ3 H 1 7.12 0.01 . 1 . . . . 407 TRP HZ3 . 18528 1 32 . 1 1 4 4 TRP HH2 H 1 7.21 0.01 . 1 . . . . 407 TRP HH2 . 18528 1 33 . 1 1 5 5 TYR H H 1 7.79 0.01 . 1 . . . . 408 TYR H . 18528 1 34 . 1 1 5 5 TYR HA H 1 4.49 0.01 . 1 . . . . 408 TYR HA . 18528 1 35 . 1 1 5 5 TYR HB2 H 1 2.78 0.01 . 1 . . . . 408 TYR HB2 . 18528 1 36 . 1 1 5 5 TYR HB3 H 1 2.78 0.01 . 1 . . . . 408 TYR HB3 . 18528 1 37 . 1 1 5 5 TYR HD1 H 1 6.95 0.01 . 3 . . . . 408 TYR HD1 . 18528 1 38 . 1 1 5 5 TYR HD2 H 1 6.95 0.01 . 3 . . . . 408 TYR HD2 . 18528 1 39 . 1 1 5 5 TYR HE1 H 1 6.76 0.01 . 3 . . . . 408 TYR HE1 . 18528 1 40 . 1 1 5 5 TYR HE2 H 1 6.76 0.01 . 3 . . . . 408 TYR HE2 . 18528 1 41 . 1 1 6 6 VAL H H 1 7.76 0.01 . 1 . . . . 409 VAL H . 18528 1 42 . 1 1 6 6 VAL HA H 1 4.04 0.01 . 1 . . . . 409 VAL HA . 18528 1 43 . 1 1 6 6 VAL HB H 1 2.03 0.01 . 1 . . . . 409 VAL HB . 18528 1 44 . 1 1 6 6 VAL HG11 H 1 0.88 0.01 . 1 . . . . 409 VAL HG1 . 18528 1 45 . 1 1 6 6 VAL HG12 H 1 0.88 0.01 . 1 . . . . 409 VAL HG1 . 18528 1 46 . 1 1 6 6 VAL HG13 H 1 0.88 0.01 . 1 . . . . 409 VAL HG1 . 18528 1 47 . 1 1 6 6 VAL HG21 H 1 0.88 0.01 . 1 . . . . 409 VAL HG2 . 18528 1 48 . 1 1 6 6 VAL HG22 H 1 0.88 0.01 . 1 . . . . 409 VAL HG2 . 18528 1 49 . 1 1 6 6 VAL HG23 H 1 0.88 0.01 . 1 . . . . 409 VAL HG2 . 18528 1 50 . 1 1 8 8 GLU H H 1 8.25 0.01 . 1 . . . . 411 GLU H . 18528 1 51 . 1 1 8 8 GLU HA H 1 4.31 0.01 . 1 . . . . 411 GLU HA . 18528 1 52 . 1 1 8 8 GLU HB2 H 1 1.97 0.01 . 2 . . . . 411 GLU HB2 . 18528 1 53 . 1 1 8 8 GLU HB3 H 1 2.09 0.01 . 2 . . . . 411 GLU HB3 . 18528 1 54 . 1 1 8 8 GLU HG2 H 1 2.29 0.01 . 1 . . . . 411 GLU HG2 . 18528 1 55 . 1 1 8 8 GLU HG3 H 1 2.29 0.01 . 1 . . . . 411 GLU HG3 . 18528 1 56 . 1 1 9 9 GLY H H 1 8.56 0.01 . 1 . . . . 412 GLY H . 18528 1 57 . 1 1 9 9 GLY HA2 H 1 3.91 0.01 . 2 . . . . 412 GLY HA2 . 18528 1 58 . 1 1 9 9 GLY HA3 H 1 4.01 0.01 . 2 . . . . 412 GLY HA3 . 18528 1 59 . 1 1 10 10 MET H H 1 8.06 0.01 . 1 . . . . 413 MET H . 18528 1 60 . 1 1 10 10 MET HA H 1 4.50 0.01 . 1 . . . . 413 MET HA . 18528 1 61 . 1 1 10 10 MET HB2 H 1 2.02 0.01 . 2 . . . . 413 MET HB2 . 18528 1 62 . 1 1 10 10 MET HB3 H 1 2.11 0.01 . 2 . . . . 413 MET HB3 . 18528 1 63 . 1 1 10 10 MET HG2 H 1 2.47 0.01 . 2 . . . . 413 MET HG2 . 18528 1 64 . 1 1 10 10 MET HG3 H 1 2.54 0.01 . 2 . . . . 413 MET HG3 . 18528 1 65 . 1 1 11 11 GLU H H 1 8.59 0.01 . 1 . . . . 414 GLU H . 18528 1 66 . 1 1 11 11 GLU HA H 1 4.32 0.01 . 1 . . . . 414 GLU HA . 18528 1 67 . 1 1 11 11 GLU HB2 H 1 1.98 0.01 . 2 . . . . 414 GLU HB2 . 18528 1 68 . 1 1 11 11 GLU HB3 H 1 2.11 0.01 . 2 . . . . 414 GLU HB3 . 18528 1 69 . 1 1 11 11 GLU HG2 H 1 2.31 0.01 . 1 . . . . 414 GLU HG2 . 18528 1 70 . 1 1 11 11 GLU HG3 H 1 2.31 0.01 . 1 . . . . 414 GLU HG3 . 18528 1 71 . 1 1 12 12 GLU H H 1 8.49 0.01 . 1 . . . . 415 GLU H . 18528 1 72 . 1 1 12 12 GLU HA H 1 4.26 0.01 . 1 . . . . 415 GLU HA . 18528 1 73 . 1 1 12 12 GLU HB2 H 1 2.01 0.01 . 2 . . . . 415 GLU HB2 . 18528 1 74 . 1 1 12 12 GLU HB3 H 1 2.12 0.01 . 2 . . . . 415 GLU HB3 . 18528 1 75 . 1 1 12 12 GLU HG2 H 1 2.31 0.01 . 1 . . . . 415 GLU HG2 . 18528 1 76 . 1 1 12 12 GLU HG3 H 1 2.31 0.01 . 1 . . . . 415 GLU HG3 . 18528 1 77 . 1 1 13 13 GLY H H 1 8.36 0.01 . 1 . . . . 416 GLY H . 18528 1 78 . 1 1 13 13 GLY HA2 H 1 3.94 0.01 . 1 . . . . 416 GLY HA2 . 18528 1 79 . 1 1 13 13 GLY HA3 H 1 3.94 0.01 . 1 . . . . 416 GLY HA3 . 18528 1 80 . 1 1 14 14 GLU H H 1 8.17 0.01 . 1 . . . . 417 GLU H . 18528 1 81 . 1 1 14 14 GLU HA H 1 4.24 0.01 . 1 . . . . 417 GLU HA . 18528 1 82 . 1 1 14 14 GLU HB2 H 1 1.91 0.01 . 2 . . . . 417 GLU HB2 . 18528 1 83 . 1 1 14 14 GLU HB3 H 1 1.94 0.01 . 2 . . . . 417 GLU HB3 . 18528 1 84 . 1 1 14 14 GLU HG2 H 1 2.13 0.01 . 2 . . . . 417 GLU HG2 . 18528 1 85 . 1 1 14 14 GLU HG3 H 1 2.19 0.01 . 2 . . . . 417 GLU HG3 . 18528 1 86 . 1 1 15 15 PHE H H 1 8.23 0.01 . 1 . . . . 418 PHE H . 18528 1 87 . 1 1 15 15 PHE HA H 1 4.66 0.01 . 1 . . . . 418 PHE HA . 18528 1 88 . 1 1 15 15 PHE HB2 H 1 3.03 0.01 . 2 . . . . 418 PHE HB2 . 18528 1 89 . 1 1 15 15 PHE HB3 H 1 3.19 0.01 . 2 . . . . 418 PHE HB3 . 18528 1 90 . 1 1 15 15 PHE HD1 H 1 7.24 0.01 . 3 . . . . 418 PHE HD1 . 18528 1 91 . 1 1 15 15 PHE HD2 H 1 7.24 0.01 . 3 . . . . 418 PHE HD2 . 18528 1 92 . 1 1 15 15 PHE HE1 H 1 7.32 0.01 . 3 . . . . 418 PHE HE1 . 18528 1 93 . 1 1 15 15 PHE HE2 H 1 7.32 0.01 . 3 . . . . 418 PHE HE2 . 18528 1 94 . 1 1 16 16 SER H H 1 8.09 0.01 . 1 . . . . 419 SER H . 18528 1 95 . 1 1 16 16 SER HA H 1 4.36 0.01 . 1 . . . . 419 SER HA . 18528 1 96 . 1 1 16 16 SER HB2 H 1 3.84 0.01 . 2 . . . . 419 SER HB2 . 18528 1 97 . 1 1 16 16 SER HB3 H 1 3.92 0.01 . 2 . . . . 419 SER HB3 . 18528 1 98 . 1 1 17 17 GLU H H 1 8.37 0.01 . 1 . . . . 420 GLU H . 18528 1 99 . 1 1 17 17 GLU HA H 1 4.26 0.01 . 1 . . . . 420 GLU HA . 18528 1 100 . 1 1 17 17 GLU HB2 H 1 1.99 0.01 . 2 . . . . 420 GLU HB2 . 18528 1 101 . 1 1 17 17 GLU HB3 H 1 2.11 0.01 . 2 . . . . 420 GLU HB3 . 18528 1 102 . 1 1 17 17 GLU HG2 H 1 2.31 0.01 . 1 . . . . 420 GLU HG2 . 18528 1 103 . 1 1 17 17 GLU HG3 H 1 2.31 0.01 . 1 . . . . 420 GLU HG3 . 18528 1 104 . 1 1 18 18 ALA H H 1 8.15 0.01 . 1 . . . . 421 ALA H . 18528 1 105 . 1 1 18 18 ALA HA H 1 4.32 0.01 . 1 . . . . 421 ALA HA . 18528 1 106 . 1 1 18 18 ALA HB1 H 1 1.41 0.01 . 1 . . . . 421 ALA HB . 18528 1 107 . 1 1 18 18 ALA HB2 H 1 1.41 0.01 . 1 . . . . 421 ALA HB . 18528 1 108 . 1 1 18 18 ALA HB3 H 1 1.41 0.01 . 1 . . . . 421 ALA HB . 18528 1 109 . 1 1 19 19 ARG H H 1 8.10 0.01 . 1 . . . . 422 ARG H . 18528 1 110 . 1 1 19 19 ARG HA H 1 4.25 0.01 . 1 . . . . 422 ARG HA . 18528 1 111 . 1 1 19 19 ARG HB2 H 1 1.80 0.01 . 2 . . . . 422 ARG HB2 . 18528 1 112 . 1 1 19 19 ARG HB3 H 1 1.91 0.01 . 2 . . . . 422 ARG HB3 . 18528 1 113 . 1 1 19 19 ARG HG2 H 1 1.62 0.01 . 2 . . . . 422 ARG HG2 . 18528 1 114 . 1 1 19 19 ARG HG3 H 1 1.67 0.01 . 2 . . . . 422 ARG HG3 . 18528 1 115 . 1 1 19 19 ARG HD2 H 1 3.18 0.01 . 1 . . . . 422 ARG HD2 . 18528 1 116 . 1 1 19 19 ARG HD3 H 1 3.18 0.01 . 1 . . . . 422 ARG HD3 . 18528 1 117 . 1 1 19 19 ARG HE H 1 7.47 0.01 . 1 . . . . 422 ARG HE . 18528 1 118 . 1 1 20 20 GLU H H 1 8.44 0.01 . 1 . . . . 423 GLU H . 18528 1 119 . 1 1 20 20 GLU HA H 1 4.20 0.01 . 1 . . . . 423 GLU HA . 18528 1 120 . 1 1 20 20 GLU HB2 H 1 2.02 0.01 . 2 . . . . 423 GLU HB2 . 18528 1 121 . 1 1 20 20 GLU HB3 H 1 2.09 0.01 . 2 . . . . 423 GLU HB3 . 18528 1 122 . 1 1 20 20 GLU HG2 H 1 2.33 0.01 . 1 . . . . 423 GLU HG2 . 18528 1 123 . 1 1 20 20 GLU HG3 H 1 2.33 0.01 . 1 . . . . 423 GLU HG3 . 18528 1 124 . 1 1 21 21 ASP H H 1 8.28 0.01 . 1 . . . . 424 ASP H . 18528 1 125 . 1 1 21 21 ASP HA H 1 4.58 0.01 . 1 . . . . 424 ASP HA . 18528 1 126 . 1 1 21 21 ASP HB2 H 1 2.73 0.01 . 1 . . . . 424 ASP HB2 . 18528 1 127 . 1 1 21 21 ASP HB3 H 1 2.73 0.01 . 1 . . . . 424 ASP HB3 . 18528 1 128 . 1 1 22 22 MET H H 1 8.13 0.01 . 1 . . . . 425 MET H . 18528 1 129 . 1 1 22 22 MET HA H 1 4.36 0.01 . 1 . . . . 425 MET HA . 18528 1 130 . 1 1 22 22 MET HB2 H 1 2.08 0.01 . 2 . . . . 425 MET HB2 . 18528 1 131 . 1 1 22 22 MET HB3 H 1 2.15 0.01 . 2 . . . . 425 MET HB3 . 18528 1 132 . 1 1 22 22 MET HG2 H 1 2.55 0.01 . 2 . . . . 425 MET HG2 . 18528 1 133 . 1 1 22 22 MET HG3 H 1 2.65 0.01 . 2 . . . . 425 MET HG3 . 18528 1 134 . 1 1 23 23 ALA H H 1 8.14 0.01 . 1 . . . . 426 ALA H . 18528 1 135 . 1 1 23 23 ALA HA H 1 4.24 0.01 . 1 . . . . 426 ALA HA . 18528 1 136 . 1 1 23 23 ALA HB1 H 1 1.46 0.01 . 1 . . . . 426 ALA HB . 18528 1 137 . 1 1 23 23 ALA HB2 H 1 1.46 0.01 . 1 . . . . 426 ALA HB . 18528 1 138 . 1 1 23 23 ALA HB3 H 1 1.46 0.01 . 1 . . . . 426 ALA HB . 18528 1 139 . 1 1 24 24 ALA H H 1 7.90 0.01 . 1 . . . . 427 ALA H . 18528 1 140 . 1 1 24 24 ALA HA H 1 4.24 0.01 . 1 . . . . 427 ALA HA . 18528 1 141 . 1 1 24 24 ALA HB1 H 1 1.46 0.01 . 1 . . . . 427 ALA HB . 18528 1 142 . 1 1 24 24 ALA HB2 H 1 1.46 0.01 . 1 . . . . 427 ALA HB . 18528 1 143 . 1 1 24 24 ALA HB3 H 1 1.46 0.01 . 1 . . . . 427 ALA HB . 18528 1 144 . 1 1 25 25 LEU H H 1 7.81 0.01 . 1 . . . . 428 LEU H . 18528 1 145 . 1 1 25 25 LEU HA H 1 4.28 0.01 . 1 . . . . 428 LEU HA . 18528 1 146 . 1 1 25 25 LEU HB2 H 1 1.66 0.01 . 2 . . . . 428 LEU HB2 . 18528 1 147 . 1 1 25 25 LEU HB3 H 1 1.76 0.01 . 2 . . . . 428 LEU HB3 . 18528 1 148 . 1 1 25 25 LEU HG H 1 1.72 0.01 . 1 . . . . 428 LEU HG . 18528 1 149 . 1 1 25 25 LEU HD11 H 1 0.90 0.01 . 2 . . . . 428 LEU HD1 . 18528 1 150 . 1 1 25 25 LEU HD12 H 1 0.90 0.01 . 2 . . . . 428 LEU HD1 . 18528 1 151 . 1 1 25 25 LEU HD13 H 1 0.90 0.01 . 2 . . . . 428 LEU HD1 . 18528 1 152 . 1 1 25 25 LEU HD21 H 1 0.95 0.01 . 2 . . . . 428 LEU HD2 . 18528 1 153 . 1 1 25 25 LEU HD22 H 1 0.95 0.01 . 2 . . . . 428 LEU HD2 . 18528 1 154 . 1 1 25 25 LEU HD23 H 1 0.95 0.01 . 2 . . . . 428 LEU HD2 . 18528 1 155 . 1 1 26 26 GLU H H 1 8.07 0.01 . 1 . . . . 429 GLU H . 18528 1 156 . 1 1 26 26 GLU HA H 1 4.21 0.01 . 1 . . . . 429 GLU HA . 18528 1 157 . 1 1 26 26 GLU HB2 H 1 2.02 0.01 . 2 . . . . 429 GLU HB2 . 18528 1 158 . 1 1 26 26 GLU HB3 H 1 2.12 0.01 . 2 . . . . 429 GLU HB3 . 18528 1 159 . 1 1 26 26 GLU HG2 H 1 2.28 0.01 . 2 . . . . 429 GLU HG2 . 18528 1 160 . 1 1 26 26 GLU HG3 H 1 2.35 0.01 . 2 . . . . 429 GLU HG3 . 18528 1 161 . 1 1 27 27 LYS H H 1 7.99 0.01 . 1 . . . . 430 LYS H . 18528 1 162 . 1 1 27 27 LYS HA H 1 4.26 0.01 . 1 . . . . 430 LYS HA . 18528 1 163 . 1 1 27 27 LYS HB2 H 1 1.77 0.01 . 1 . . . . 430 LYS HB2 . 18528 1 164 . 1 1 27 27 LYS HB3 H 1 1.77 0.01 . 1 . . . . 430 LYS HB3 . 18528 1 165 . 1 1 27 27 LYS HG2 H 1 1.44 0.01 . 2 . . . . 430 LYS HG2 . 18528 1 166 . 1 1 27 27 LYS HG3 H 1 1.46 0.01 . 2 . . . . 430 LYS HG3 . 18528 1 167 . 1 1 27 27 LYS HD2 H 1 1.68 0.01 . 1 . . . . 430 LYS HD2 . 18528 1 168 . 1 1 27 27 LYS HD3 H 1 1.68 0.01 . 1 . . . . 430 LYS HD3 . 18528 1 169 . 1 1 27 27 LYS HE2 H 1 3.00 0.01 . 1 . . . . 430 LYS HE2 . 18528 1 170 . 1 1 27 27 LYS HE3 H 1 3.00 0.01 . 1 . . . . 430 LYS HE3 . 18528 1 171 . 1 1 28 28 ASP H H 1 8.20 0.01 . 1 . . . . 431 ASP H . 18528 1 172 . 1 1 28 28 ASP HA H 1 4.61 0.01 . 1 . . . . 431 ASP HA . 18528 1 173 . 1 1 28 28 ASP HB2 H 1 2.63 0.01 . 2 . . . . 431 ASP HB2 . 18528 1 174 . 1 1 28 28 ASP HB3 H 1 2.68 0.01 . 2 . . . . 431 ASP HB3 . 18528 1 175 . 1 1 29 29 TYR H H 1 7.98 0.01 . 1 . . . . 432 TYR H . 18528 1 176 . 1 1 29 29 TYR HA H 1 4.49 0.01 . 1 . . . . 432 TYR HA . 18528 1 177 . 1 1 29 29 TYR HB2 H 1 3.02 0.01 . 2 . . . . 432 TYR HB2 . 18528 1 178 . 1 1 29 29 TYR HB3 H 1 3.09 0.01 . 2 . . . . 432 TYR HB3 . 18528 1 179 . 1 1 29 29 TYR HD1 H 1 7.13 0.01 . 3 . . . . 432 TYR HD1 . 18528 1 180 . 1 1 29 29 TYR HD2 H 1 7.13 0.01 . 3 . . . . 432 TYR HD2 . 18528 1 181 . 1 1 29 29 TYR HE1 H 1 6.84 0.01 . 3 . . . . 432 TYR HE1 . 18528 1 182 . 1 1 29 29 TYR HE2 H 1 6.84 0.01 . 3 . . . . 432 TYR HE2 . 18528 1 183 . 1 1 30 30 GLU H H 1 8.16 0.01 . 1 . . . . 433 GLU H . 18528 1 184 . 1 1 30 30 GLU HA H 1 4.24 0.01 . 1 . . . . 433 GLU HA . 18528 1 185 . 1 1 30 30 GLU HB2 H 1 1.98 0.01 . 2 . . . . 433 GLU HB2 . 18528 1 186 . 1 1 30 30 GLU HB3 H 1 2.06 0.01 . 2 . . . . 433 GLU HB3 . 18528 1 187 . 1 1 30 30 GLU HG2 H 1 2.26 0.01 . 2 . . . . 433 GLU HG2 . 18528 1 188 . 1 1 30 30 GLU HG3 H 1 2.29 0.01 . 2 . . . . 433 GLU HG3 . 18528 1 189 . 1 1 31 31 GLU H H 1 8.25 0.01 . 1 . . . . 434 GLU H . 18528 1 190 . 1 1 31 31 GLU HA H 1 4.31 0.01 . 1 . . . . 434 GLU HA . 18528 1 191 . 1 1 31 31 GLU HB2 H 1 1.97 0.01 . 2 . . . . 434 GLU HB2 . 18528 1 192 . 1 1 31 31 GLU HB3 H 1 2.09 0.01 . 2 . . . . 434 GLU HB3 . 18528 1 193 . 1 1 31 31 GLU HG2 H 1 2.29 0.01 . 1 . . . . 434 GLU HG2 . 18528 1 194 . 1 1 31 31 GLU HG3 H 1 2.29 0.01 . 1 . . . . 434 GLU HG3 . 18528 1 195 . 1 1 32 32 VAL H H 1 8.07 0.01 . 1 . . . . 435 VAL H . 18528 1 196 . 1 1 32 32 VAL HA H 1 4.15 0.01 . 1 . . . . 435 VAL HA . 18528 1 197 . 1 1 32 32 VAL HB H 1 2.13 0.01 . 1 . . . . 435 VAL HB . 18528 1 198 . 1 1 32 32 VAL HG11 H 1 0.98 0.01 . 1 . . . . 435 VAL HG1 . 18528 1 199 . 1 1 32 32 VAL HG12 H 1 0.98 0.01 . 1 . . . . 435 VAL HG1 . 18528 1 200 . 1 1 32 32 VAL HG13 H 1 0.98 0.01 . 1 . . . . 435 VAL HG1 . 18528 1 201 . 1 1 32 32 VAL HG21 H 1 0.98 0.01 . 1 . . . . 435 VAL HG2 . 18528 1 202 . 1 1 32 32 VAL HG22 H 1 0.98 0.01 . 1 . . . . 435 VAL HG2 . 18528 1 203 . 1 1 32 32 VAL HG23 H 1 0.98 0.01 . 1 . . . . 435 VAL HG2 . 18528 1 204 . 1 1 33 33 GLY H H 1 8.42 0.01 . 1 . . . . 436 GLY H . 18528 1 205 . 1 1 33 33 GLY HA2 H 1 3.95 0.01 . 2 . . . . 436 GLY HA2 . 18528 1 206 . 1 1 33 33 GLY HA3 H 1 4.04 0.01 . 2 . . . . 436 GLY HA3 . 18528 1 207 . 1 1 34 34 VAL H H 1 7.93 0.01 . 1 . . . . 437 VAL H . 18528 1 208 . 1 1 34 34 VAL HA H 1 4.16 0.01 . 1 . . . . 437 VAL HA . 18528 1 209 . 1 1 34 34 VAL HB H 1 2.13 0.01 . 1 . . . . 437 VAL HB . 18528 1 210 . 1 1 34 34 VAL HG11 H 1 0.95 0.01 . 1 . . . . 437 VAL HG1 . 18528 1 211 . 1 1 34 34 VAL HG12 H 1 0.95 0.01 . 1 . . . . 437 VAL HG1 . 18528 1 212 . 1 1 34 34 VAL HG13 H 1 0.95 0.01 . 1 . . . . 437 VAL HG1 . 18528 1 213 . 1 1 34 34 VAL HG21 H 1 0.95 0.01 . 1 . . . . 437 VAL HG2 . 18528 1 214 . 1 1 34 34 VAL HG22 H 1 0.95 0.01 . 1 . . . . 437 VAL HG2 . 18528 1 215 . 1 1 34 34 VAL HG23 H 1 0.95 0.01 . 1 . . . . 437 VAL HG2 . 18528 1 216 . 1 1 35 35 ASP H H 1 8.42 0.01 . 1 . . . . 438 ASP H . 18528 1 217 . 1 1 35 35 ASP HA H 1 4.69 0.01 . 1 . . . . 438 ASP HA . 18528 1 218 . 1 1 35 35 ASP HB2 H 1 2.66 0.01 . 2 . . . . 438 ASP HB2 . 18528 1 219 . 1 1 35 35 ASP HB3 H 1 2.73 0.01 . 2 . . . . 438 ASP HB3 . 18528 1 220 . 1 1 36 36 SER H H 1 8.14 0.01 . 1 . . . . 439 SER H . 18528 1 221 . 1 1 36 36 SER HA H 1 4.51 0.01 . 1 . . . . 439 SER HA . 18528 1 222 . 1 1 36 36 SER HB2 H 1 3.88 0.01 . 2 . . . . 439 SER HB2 . 18528 1 223 . 1 1 36 36 SER HB3 H 1 3.91 0.01 . 2 . . . . 439 SER HB3 . 18528 1 224 . 1 1 37 37 VAL H H 1 8.15 0.01 . 1 . . . . 440 VAL H . 18528 1 225 . 1 1 37 37 VAL HA H 1 4.19 0.01 . 1 . . . . 440 VAL HA . 18528 1 226 . 1 1 37 37 VAL HB H 1 2.15 0.01 . 1 . . . . 440 VAL HB . 18528 1 227 . 1 1 37 37 VAL HG11 H 1 0.96 0.01 . 1 . . . . 440 VAL HG1 . 18528 1 228 . 1 1 37 37 VAL HG12 H 1 0.96 0.01 . 1 . . . . 440 VAL HG1 . 18528 1 229 . 1 1 37 37 VAL HG13 H 1 0.96 0.01 . 1 . . . . 440 VAL HG1 . 18528 1 230 . 1 1 37 37 VAL HG21 H 1 0.96 0.01 . 1 . . . . 440 VAL HG2 . 18528 1 231 . 1 1 37 37 VAL HG22 H 1 0.96 0.01 . 1 . . . . 440 VAL HG2 . 18528 1 232 . 1 1 37 37 VAL HG23 H 1 0.96 0.01 . 1 . . . . 440 VAL HG2 . 18528 1 233 . 1 1 38 38 GLU H H 1 8.46 0.01 . 1 . . . . 441 GLU H . 18528 1 234 . 1 1 38 38 GLU HA H 1 4.31 0.01 . 1 . . . . 441 GLU HA . 18528 1 235 . 1 1 38 38 GLU HB2 H 1 2.00 0.01 . 2 . . . . 441 GLU HB2 . 18528 1 236 . 1 1 38 38 GLU HB3 H 1 2.09 0.01 . 2 . . . . 441 GLU HB3 . 18528 1 237 . 1 1 38 38 GLU HG2 H 1 2.32 0.01 . 1 . . . . 441 GLU HG2 . 18528 1 238 . 1 1 38 38 GLU HG3 H 1 2.32 0.01 . 1 . . . . 441 GLU HG3 . 18528 1 239 . 1 1 39 39 GLY H H 1 8.44 0.01 . 1 . . . . 442 GLY H . 18528 1 240 . 1 1 39 39 GLY HA2 H 1 4.01 0.01 . 1 . . . . 442 GLY HA2 . 18528 1 241 . 1 1 39 39 GLY HA3 H 1 4.01 0.01 . 1 . . . . 442 GLY HA3 . 18528 1 242 . 1 1 40 40 GLU H H 1 8.30 0.01 . 1 . . . . 443 GLU H . 18528 1 243 . 1 1 40 40 GLU HA H 1 4.36 0.01 . 1 . . . . 443 GLU HA . 18528 1 244 . 1 1 40 40 GLU HB2 H 1 1.97 0.01 . 2 . . . . 443 GLU HB2 . 18528 1 245 . 1 1 40 40 GLU HB3 H 1 2.11 0.01 . 2 . . . . 443 GLU HB3 . 18528 1 246 . 1 1 40 40 GLU HG2 H 1 2.32 0.01 . 1 . . . . 443 GLU HG2 . 18528 1 247 . 1 1 40 40 GLU HG3 H 1 2.32 0.01 . 1 . . . . 443 GLU HG3 . 18528 1 248 . 1 1 41 41 GLY H H 1 8.53 0.01 . 1 . . . . 444 GLY H . 18528 1 249 . 1 1 41 41 GLY HA2 H 1 4.01 0.01 . 1 . . . . 444 GLY HA2 . 18528 1 250 . 1 1 41 41 GLY HA3 H 1 4.01 0.01 . 1 . . . . 444 GLY HA3 . 18528 1 251 . 1 1 42 42 GLU H H 1 8.22 0.01 . 1 . . . . 445 GLU H . 18528 1 252 . 1 1 42 42 GLU HA H 1 4.34 0.01 . 1 . . . . 445 GLU HA . 18528 1 253 . 1 1 42 42 GLU HB2 H 1 1.92 0.01 . 2 . . . . 445 GLU HB2 . 18528 1 254 . 1 1 42 42 GLU HB3 H 1 2.04 0.01 . 2 . . . . 445 GLU HB3 . 18528 1 255 . 1 1 42 42 GLU HG2 H 1 2.27 0.01 . 1 . . . . 445 GLU HG2 . 18528 1 256 . 1 1 42 42 GLU HG3 H 1 2.27 0.01 . 1 . . . . 445 GLU HG3 . 18528 1 257 . 1 1 43 43 GLU H H 1 8.30 0.01 . 1 . . . . 446 GLU H . 18528 1 258 . 1 1 43 43 GLU HA H 1 4.36 0.01 . 1 . . . . 446 GLU HA . 18528 1 259 . 1 1 43 43 GLU HB2 H 1 1.97 0.01 . 1 . . . . 446 GLU HB2 . 18528 1 260 . 1 1 43 43 GLU HB3 H 1 2.11 0.01 . 1 . . . . 446 GLU HB3 . 18528 1 261 . 1 1 43 43 GLU HG2 H 1 2.29 0.01 . 1 . . . . 446 GLU HG2 . 18528 1 262 . 1 1 43 43 GLU HG3 H 1 2.29 0.01 . 1 . . . . 446 GLU HG3 . 18528 1 263 . 1 1 44 44 GLU H H 1 8.56 0.01 . 1 . . . . 447 GLU H . 18528 1 264 . 1 1 44 44 GLU HA H 1 4.32 0.01 . 1 . . . . 447 GLU HA . 18528 1 265 . 1 1 44 44 GLU HB2 H 1 1.99 0.01 . 1 . . . . 447 GLU HB2 . 18528 1 266 . 1 1 44 44 GLU HB3 H 1 2.10 0.01 . 1 . . . . 447 GLU HB3 . 18528 1 267 . 1 1 44 44 GLU HG2 H 1 2.29 0.01 . 1 . . . . 447 GLU HG2 . 18528 1 268 . 1 1 44 44 GLU HG3 H 1 2.29 0.01 . 1 . . . . 447 GLU HG3 . 18528 1 269 . 1 1 45 45 GLY H H 1 8.42 0.01 . 1 . . . . 448 GLY H . 18528 1 270 . 1 1 45 45 GLY HA2 H 1 4.01 0.01 . 1 . . . . 448 GLY HA2 . 18528 1 271 . 1 1 45 45 GLY HA3 H 1 4.01 0.01 . 1 . . . . 448 GLY HA3 . 18528 1 272 . 1 1 46 46 GLU H H 1 8.49 0.01 . 1 . . . . 449 GLU H . 18528 1 273 . 1 1 46 46 GLU HA H 1 4.33 0.01 . 1 . . . . 449 GLU HA . 18528 1 274 . 1 1 46 46 GLU HB2 H 1 2.01 0.01 . 2 . . . . 449 GLU HB2 . 18528 1 275 . 1 1 46 46 GLU HB3 H 1 2.12 0.01 . 2 . . . . 449 GLU HB3 . 18528 1 276 . 1 1 46 46 GLU HG2 H 1 2.31 0.01 . 1 . . . . 449 GLU HG2 . 18528 1 277 . 1 1 46 46 GLU HG3 H 1 2.31 0.01 . 1 . . . . 449 GLU HG3 . 18528 1 278 . 1 1 47 47 GLU H H 1 8.41 0.01 . 1 . . . . 450 GLU H . 18528 1 279 . 1 1 47 47 GLU HA H 1 4.27 0.01 . 1 . . . . 450 GLU HA . 18528 1 280 . 1 1 47 47 GLU HB2 H 1 1.89 0.01 . 2 . . . . 450 GLU HB2 . 18528 1 281 . 1 1 47 47 GLU HB3 H 1 2.02 0.01 . 2 . . . . 450 GLU HB3 . 18528 1 282 . 1 1 47 47 GLU HG2 H 1 2.19 0.01 . 2 . . . . 450 GLU HG2 . 18528 1 283 . 1 1 47 47 GLU HG3 H 1 2.26 0.01 . 2 . . . . 450 GLU HG3 . 18528 1 284 . 1 1 48 48 TYR H H 1 7.68 0.01 . 1 . . . . 451 TYR H . 18528 1 285 . 1 1 48 48 TYR HA H 1 4.40 0.01 . 1 . . . . 451 TYR HA . 18528 1 286 . 1 1 48 48 TYR HB2 H 1 2.91 0.01 . 2 . . . . 451 TYR HB2 . 18528 1 287 . 1 1 48 48 TYR HB3 H 1 3.10 0.01 . 2 . . . . 451 TYR HB3 . 18528 1 288 . 1 1 48 48 TYR HD1 H 1 7.13 0.01 . 3 . . . . 451 TYR HD1 . 18528 1 289 . 1 1 48 48 TYR HD2 H 1 7.13 0.01 . 3 . . . . 451 TYR HD2 . 18528 1 290 . 1 1 48 48 TYR HE1 H 1 6.84 0.01 . 3 . . . . 451 TYR HE1 . 18528 1 291 . 1 1 48 48 TYR HE2 H 1 6.84 0.01 . 3 . . . . 451 TYR HE2 . 18528 1 stop_ save_