################################### # 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 19094 _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 TOCSY' . . . 19094 1 2 '2D 1H-1H NOESY' . . . 19094 1 3 '2D 1H-1H COSY' . . . 19094 1 4 '2D 1H-15N HSQC' . . . 19094 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 FME HA H 1 4.5213 0.01 . 1 . . . A 1 FME HA . 19094 1 2 . 1 1 1 1 FME HB2 H 1 2.1538 0.01 . 2 . . . A 1 FME HB2 . 19094 1 3 . 1 1 1 1 FME HB3 H 1 2.1000 0.01 . 2 . . . A 1 FME HB3 . 19094 1 4 . 1 1 1 1 FME HG2 H 1 2.7386 0.01 . 2 . . . A 1 FME HG2 . 19094 1 5 . 1 1 1 1 FME HG3 H 1 2.6218 0.01 . 2 . . . A 1 FME HG3 . 19094 1 6 . 1 1 2 2 GLY H H 1 8.8480 0.01 . 1 . . . A 2 GLY H . 19094 1 7 . 1 1 2 2 GLY HA3 H 1 4.0081 0.01 . 2 . . . A 2 GLY HA3 . 19094 1 8 . 1 1 3 3 ALA H H 1 8.1979 0.01 . 1 . . . A 3 ALA H . 19094 1 9 . 1 1 3 3 ALA HA H 1 4.0827 0.01 . 1 . . . A 3 ALA HA . 19094 1 10 . 1 1 3 3 ALA HB1 H 1 1.4414 0.01 . 1 . . . A 3 ALA HB1 . 19094 1 11 . 1 1 3 3 ALA HB2 H 1 1.4414 0.01 . 1 . . . A 3 ALA HB2 . 19094 1 12 . 1 1 3 3 ALA HB3 H 1 1.4414 0.01 . 1 . . . A 3 ALA HB3 . 19094 1 13 . 1 1 4 4 ILE H H 1 7.9342 0.01 . 1 . . . A 4 ILE H . 19094 1 14 . 1 1 4 4 ILE HA H 1 3.6904 0.01 . 1 . . . A 4 ILE HA . 19094 1 15 . 1 1 4 4 ILE HB H 1 2.2045 0.01 . 1 . . . A 4 ILE HB . 19094 1 16 . 1 1 4 4 ILE HG12 H 1 1.5715 0.01 . 2 . . . A 4 ILE HG12 . 19094 1 17 . 1 1 4 4 ILE HG21 H 1 0.9977 0.01 . 1 . . . A 4 ILE HG21 . 19094 1 18 . 1 1 4 4 ILE HG22 H 1 0.9977 0.01 . 1 . . . A 4 ILE HG22 . 19094 1 19 . 1 1 4 4 ILE HG23 H 1 0.9977 0.01 . 1 . . . A 4 ILE HG23 . 19094 1 20 . 1 1 4 4 ILE HD11 H 1 0.7452 0.01 . 1 . . . A 4 ILE HD11 . 19094 1 21 . 1 1 4 4 ILE HD12 H 1 0.7452 0.01 . 1 . . . A 4 ILE HD12 . 19094 1 22 . 1 1 4 4 ILE HD13 H 1 0.7452 0.01 . 1 . . . A 4 ILE HD13 . 19094 1 23 . 1 1 5 5 ALA H H 1 7.9807 0.01 . 1 . . . A 5 ALA H . 19094 1 24 . 1 1 5 5 ALA HA H 1 3.9750 0.01 . 1 . . . A 5 ALA HA . 19094 1 25 . 1 1 5 5 ALA HB1 H 1 1.4869 0.01 . 1 . . . A 5 ALA HB1 . 19094 1 26 . 1 1 5 5 ALA HB2 H 1 1.4869 0.01 . 1 . . . A 5 ALA HB2 . 19094 1 27 . 1 1 5 5 ALA HB3 H 1 1.4869 0.01 . 1 . . . A 5 ALA HB3 . 19094 1 28 . 1 1 6 6 LYS H H 1 7.6873 0.01 . 1 . . . A 6 LYS H . 19094 1 29 . 1 1 6 6 LYS HA H 1 4.0771 0.01 . 1 . . . A 6 LYS HA . 19094 1 30 . 1 1 6 6 LYS HB2 H 1 1.8302 0.01 . 2 . . . A 6 LYS HB2 . 19094 1 31 . 1 1 6 6 LYS HB3 H 1 2.0244 0.01 . 2 . . . A 6 LYS HB3 . 19094 1 32 . 1 1 6 6 LYS HG2 H 1 1.4615 0.01 . 2 . . . A 6 LYS HG2 . 19094 1 33 . 1 1 6 6 LYS HG3 H 1 1.6234 0.01 . 2 . . . A 6 LYS HG3 . 19094 1 34 . 1 1 7 7 LEU H H 1 8.1103 0.01 . 1 . . . A 7 LEU H . 19094 1 35 . 1 1 7 7 LEU HA H 1 4.1565 0.01 . 1 . . . A 7 LEU HA . 19094 1 36 . 1 1 7 7 LEU HB2 H 1 1.3801 0.01 . 2 . . . A 7 LEU HB2 . 19094 1 37 . 1 1 7 7 LEU HB3 H 1 2.2342 0.01 . 2 . . . A 7 LEU HB3 . 19094 1 38 . 1 1 7 7 LEU HG H 1 2.1384 0.01 . 1 . . . A 7 LEU HG . 19094 1 39 . 1 1 7 7 LEU HD11 H 1 0.9851 0.01 . 2 . . . A 7 LEU HD11 . 19094 1 40 . 1 1 7 7 LEU HD12 H 1 0.9851 0.01 . 2 . . . A 7 LEU HD12 . 19094 1 41 . 1 1 7 7 LEU HD13 H 1 0.9851 0.01 . 2 . . . A 7 LEU HD13 . 19094 1 42 . 1 1 7 7 LEU HD21 H 1 0.9368 0.01 . 2 . . . A 7 LEU HD21 . 19094 1 43 . 1 1 7 7 LEU HD22 H 1 0.9368 0.01 . 2 . . . A 7 LEU HD22 . 19094 1 44 . 1 1 7 7 LEU HD23 H 1 0.9368 0.01 . 2 . . . A 7 LEU HD23 . 19094 1 45 . 1 1 8 8 VAL H H 1 8.8622 0.01 . 1 . . . A 8 VAL H . 19094 1 46 . 1 1 8 8 VAL HA H 1 3.1151 0.01 . 1 . . . A 8 VAL HA . 19094 1 47 . 1 1 8 8 VAL HB H 1 1.7916 0.01 . 1 . . . A 8 VAL HB . 19094 1 48 . 1 1 8 8 VAL HG11 H 1 0.3837 0.01 . 2 . . . A 8 VAL HG11 . 19094 1 49 . 1 1 8 8 VAL HG12 H 1 0.3837 0.01 . 2 . . . A 8 VAL HG12 . 19094 1 50 . 1 1 8 8 VAL HG13 H 1 0.3837 0.01 . 2 . . . A 8 VAL HG13 . 19094 1 51 . 1 1 8 8 VAL HG21 H 1 0.1656 0.01 . 2 . . . A 8 VAL HG21 . 19094 1 52 . 1 1 8 8 VAL HG22 H 1 0.1656 0.01 . 2 . . . A 8 VAL HG22 . 19094 1 53 . 1 1 8 8 VAL HG23 H 1 0.1656 0.01 . 2 . . . A 8 VAL HG23 . 19094 1 54 . 1 1 9 9 ALA H H 1 7.7995 0.01 . 1 . . . A 9 ALA H . 19094 1 55 . 1 1 9 9 ALA HA H 1 4.0572 0.01 . 1 . . . A 9 ALA HA . 19094 1 56 . 1 1 9 9 ALA HB1 H 1 1.4611 0.01 . 1 . . . A 9 ALA HB1 . 19094 1 57 . 1 1 9 9 ALA HB2 H 1 1.4611 0.01 . 1 . . . A 9 ALA HB2 . 19094 1 58 . 1 1 9 9 ALA HB3 H 1 1.4611 0.01 . 1 . . . A 9 ALA HB3 . 19094 1 59 . 1 1 10 10 LYS H H 1 7.1664 0.01 . 1 . . . A 10 LYS H . 19094 1 60 . 1 1 10 10 LYS HA H 1 4.0686 0.01 . 1 . . . A 10 LYS HA . 19094 1 61 . 1 1 10 10 LYS HB2 H 1 1.2968 0.01 . 2 . . . A 10 LYS HB2 . 19094 1 62 . 1 1 10 10 LYS HB3 H 1 1.5752 0.01 . 2 . . . A 10 LYS HB3 . 19094 1 63 . 1 1 10 10 LYS HG2 H 1 0.5546 0.01 . 2 . . . A 10 LYS HG2 . 19094 1 64 . 1 1 10 10 LYS HG3 H 1 0.5904 0.01 . 2 . . . A 10 LYS HG3 . 19094 1 65 . 1 1 10 10 LYS HD2 H 1 1.3242 0.01 . 2 . . . A 10 LYS HD2 . 19094 1 66 . 1 1 10 10 LYS HD3 H 1 1.4202 0.01 . 2 . . . A 10 LYS HD3 . 19094 1 67 . 1 1 10 10 LYS HE2 H 1 2.6437 0.01 . 2 . . . A 10 LYS HE2 . 19094 1 68 . 1 1 10 10 LYS HE3 H 1 2.8035 0.01 . 2 . . . A 10 LYS HE3 . 19094 1 69 . 1 1 11 11 PHE H H 1 8.4623 0.01 . 1 . . . A 11 PHE H . 19094 1 70 . 1 1 11 11 PHE HA H 1 4.8320 0.01 . 1 . . . A 11 PHE HA . 19094 1 71 . 1 1 11 11 PHE HB2 H 1 2.7900 0.01 . 2 . . . A 11 PHE HB2 . 19094 1 72 . 1 1 11 11 PHE HB3 H 1 3.4216 0.01 . 2 . . . A 11 PHE HB3 . 19094 1 73 . 1 1 11 11 PHE HD2 H 1 7.4535 0.01 . 3 . . . A 11 PHE HD2 . 19094 1 74 . 1 1 11 11 PHE HE2 H 1 7.3220 0.01 . 3 . . . A 11 PHE HE2 . 19094 1 75 . 1 1 11 11 PHE HZ H 1 7.4849 0.01 . 1 . . . A 11 PHE HZ . 19094 1 76 . 1 1 12 12 GLY H H 1 8.5194 0.01 . 1 . . . A 12 GLY H . 19094 1 77 . 1 1 12 12 GLY HA2 H 1 3.9755 0.01 . 2 . . . A 12 GLY HA2 . 19094 1 78 . 1 1 12 12 GLY HA3 H 1 4.6755 0.01 . 2 . . . A 12 GLY HA3 . 19094 1 79 . 1 1 13 13 TRP H H 1 9.1128 0.01 . 1 . . . A 13 TRP H . 19094 1 80 . 1 1 13 13 TRP HA H 1 4.6728 0.01 . 1 . . . A 13 TRP HA . 19094 1 81 . 1 1 13 13 TRP HB2 H 1 3.3084 0.01 . 2 . . . A 13 TRP HB2 . 19094 1 82 . 1 1 13 13 TRP HB3 H 1 3.3861 0.01 . 2 . . . A 13 TRP HB3 . 19094 1 83 . 1 1 13 13 TRP HD1 H 1 7.3196 0.01 . 1 . . . A 13 TRP HD1 . 19094 1 84 . 1 1 13 13 TRP HE1 H 1 10.1922 0.01 . 1 . . . A 13 TRP HE1 . 19094 1 85 . 1 1 13 13 TRP HE3 H 1 7.6330 0.01 . 1 . . . A 13 TRP HE3 . 19094 1 86 . 1 1 13 13 TRP HZ2 H 1 7.4720 0.01 . 1 . . . A 13 TRP HZ2 . 19094 1 87 . 1 1 13 13 TRP HZ3 H 1 6.9120 0.01 . 1 . . . A 13 TRP HZ3 . 19094 1 88 . 1 1 13 13 TRP HH2 H 1 7.1310 0.01 . 1 . . . A 13 TRP HH2 . 19094 1 89 . 1 1 14 14 PRO HA H 1 4.1318 0.01 . 1 . . . A 14 PRO HA . 19094 1 90 . 1 1 14 14 PRO HB2 H 1 1.9531 0.01 . 2 . . . A 14 PRO HB2 . 19094 1 91 . 1 1 14 14 PRO HB3 H 1 2.3513 0.01 . 2 . . . A 14 PRO HB3 . 19094 1 92 . 1 1 14 14 PRO HG2 H 1 2.0396 0.01 . 2 . . . A 14 PRO HG2 . 19094 1 93 . 1 1 14 14 PRO HG3 H 1 2.2775 0.01 . 2 . . . A 14 PRO HG3 . 19094 1 94 . 1 1 14 14 PRO HD2 H 1 3.9318 0.01 . 2 . . . A 14 PRO HD2 . 19094 1 95 . 1 1 14 14 PRO HD3 H 1 4.1185 0.01 . 2 . . . A 14 PRO HD3 . 19094 1 96 . 1 1 15 15 ILE H H 1 7.8969 0.01 . 1 . . . A 15 ILE H . 19094 1 97 . 1 1 15 15 ILE HA H 1 3.8272 0.01 . 1 . . . A 15 ILE HA . 19094 1 98 . 1 1 15 15 ILE HB H 1 1.8828 0.01 . 1 . . . A 15 ILE HB . 19094 1 99 . 1 1 15 15 ILE HG12 H 1 1.4545 0.01 . 2 . . . A 15 ILE HG12 . 19094 1 100 . 1 1 15 15 ILE HG13 H 1 1.7960 0.01 . 2 . . . A 15 ILE HG13 . 19094 1 101 . 1 1 15 15 ILE HG21 H 1 0.7721 0.01 . 1 . . . A 15 ILE HG21 . 19094 1 102 . 1 1 15 15 ILE HG22 H 1 0.7721 0.01 . 1 . . . A 15 ILE HG22 . 19094 1 103 . 1 1 15 15 ILE HG23 H 1 0.7721 0.01 . 1 . . . A 15 ILE HG23 . 19094 1 104 . 1 1 15 15 ILE HD11 H 1 1.0838 0.01 . 1 . . . A 15 ILE HD11 . 19094 1 105 . 1 1 15 15 ILE HD12 H 1 1.0838 0.01 . 1 . . . A 15 ILE HD12 . 19094 1 106 . 1 1 15 15 ILE HD13 H 1 1.0838 0.01 . 1 . . . A 15 ILE HD13 . 19094 1 107 . 1 1 16 16 VAL H H 1 7.3253 0.01 . 1 . . . A 16 VAL H . 19094 1 108 . 1 1 16 16 VAL HA H 1 3.4278 0.01 . 1 . . . A 16 VAL HA . 19094 1 109 . 1 1 16 16 VAL HB H 1 2.0887 0.01 . 1 . . . A 16 VAL HB . 19094 1 110 . 1 1 16 16 VAL HG11 H 1 0.9962 0.01 . 2 . . . A 16 VAL HG11 . 19094 1 111 . 1 1 16 16 VAL HG12 H 1 0.9962 0.01 . 2 . . . A 16 VAL HG12 . 19094 1 112 . 1 1 16 16 VAL HG13 H 1 0.9962 0.01 . 2 . . . A 16 VAL HG13 . 19094 1 113 . 1 1 16 16 VAL HG21 H 1 0.9100 0.01 . 2 . . . A 16 VAL HG21 . 19094 1 114 . 1 1 16 16 VAL HG22 H 1 0.9100 0.01 . 2 . . . A 16 VAL HG22 . 19094 1 115 . 1 1 16 16 VAL HG23 H 1 0.9100 0.01 . 2 . . . A 16 VAL HG23 . 19094 1 116 . 1 1 17 17 LYS H H 1 9.0755 0.01 . 1 . . . A 17 LYS H . 19094 1 117 . 1 1 17 17 LYS HA H 1 3.8379 0.01 . 1 . . . A 17 LYS HA . 19094 1 118 . 1 1 17 17 LYS HB2 H 1 1.4107 0.01 . 2 . . . A 17 LYS HB2 . 19094 1 119 . 1 1 17 17 LYS HB3 H 1 1.6067 0.01 . 2 . . . A 17 LYS HB3 . 19094 1 120 . 1 1 17 17 LYS HG2 H 1 1.3348 0.01 . 2 . . . A 17 LYS HG2 . 19094 1 121 . 1 1 17 17 LYS HG3 H 1 1.5534 0.01 . 2 . . . A 17 LYS HG3 . 19094 1 122 . 1 1 17 17 LYS HD3 H 1 1.5448 0.01 . 2 . . . A 17 LYS HD3 . 19094 1 123 . 1 1 17 17 LYS HE3 H 1 2.7455 0.01 . 2 . . . A 17 LYS HE3 . 19094 1 124 . 1 1 18 18 LYS H H 1 7.6674 0.01 . 1 . . . A 18 LYS H . 19094 1 125 . 1 1 18 18 LYS HA H 1 3.8781 0.01 . 1 . . . A 18 LYS HA . 19094 1 126 . 1 1 18 18 LYS HB2 H 1 1.6943 0.01 . 2 . . . A 18 LYS HB2 . 19094 1 127 . 1 1 18 18 LYS HB3 H 1 1.7438 0.01 . 2 . . . A 18 LYS HB3 . 19094 1 128 . 1 1 18 18 LYS HG2 H 1 0.3699 0.01 . 2 . . . A 18 LYS HG2 . 19094 1 129 . 1 1 18 18 LYS HG3 H 1 1.0236 0.01 . 2 . . . A 18 LYS HG3 . 19094 1 130 . 1 1 18 18 LYS HD2 H 1 1.3602 0.01 . 2 . . . A 18 LYS HD2 . 19094 1 131 . 1 1 18 18 LYS HD3 H 1 1.4891 0.01 . 2 . . . A 18 LYS HD3 . 19094 1 132 . 1 1 18 18 LYS HE3 H 1 2.8294 0.01 . 2 . . . A 18 LYS HE3 . 19094 1 133 . 1 1 19 19 TYR H H 1 7.4240 0.01 . 1 . . . A 19 TYR H . 19094 1 134 . 1 1 19 19 TYR HA H 1 5.2165 0.01 . 1 . . . A 19 TYR HA . 19094 1 135 . 1 1 19 19 TYR HB2 H 1 2.5095 0.01 . 2 . . . A 19 TYR HB2 . 19094 1 136 . 1 1 19 19 TYR HB3 H 1 3.6448 0.01 . 2 . . . A 19 TYR HB3 . 19094 1 137 . 1 1 19 19 TYR HD1 H 1 7.2828 0.01 . 3 . . . A 19 TYR HD1 . 19094 1 138 . 1 1 19 19 TYR HE1 H 1 6.7767 0.01 . 3 . . . A 19 TYR HE1 . 19094 1 139 . 1 1 20 20 TYR H H 1 7.3845 0.01 . 1 . . . A 20 TYR H . 19094 1 140 . 1 1 20 20 TYR HA H 1 3.8413 0.01 . 1 . . . A 20 TYR HA . 19094 1 141 . 1 1 20 20 TYR HB2 H 1 2.8949 0.01 . 2 . . . A 20 TYR HB2 . 19094 1 142 . 1 1 20 20 TYR HB3 H 1 3.6183 0.01 . 2 . . . A 20 TYR HB3 . 19094 1 143 . 1 1 20 20 TYR HD1 H 1 6.9949 0.01 . 3 . . . A 20 TYR HD1 . 19094 1 144 . 1 1 20 20 TYR HE1 H 1 6.8239 0.01 . 3 . . . A 20 TYR HE1 . 19094 1 145 . 1 1 21 21 LYS H H 1 8.4398 0.01 . 1 . . . A 21 LYS H . 19094 1 146 . 1 1 21 21 LYS HA H 1 3.7544 0.01 . 1 . . . A 21 LYS HA . 19094 1 147 . 1 1 21 21 LYS HB2 H 1 1.6367 0.01 . 2 . . . A 21 LYS HB2 . 19094 1 148 . 1 1 21 21 LYS HB3 H 1 1.7871 0.01 . 2 . . . A 21 LYS HB3 . 19094 1 149 . 1 1 21 21 LYS HG2 H 1 1.3192 0.01 . 2 . . . A 21 LYS HG2 . 19094 1 150 . 1 1 21 21 LYS HG3 H 1 1.5217 0.01 . 2 . . . A 21 LYS HG3 . 19094 1 151 . 1 1 21 21 LYS HD3 H 1 1.6581 0.01 . 2 . . . A 21 LYS HD3 . 19094 1 152 . 1 1 21 21 LYS HE3 H 1 2.9662 0.01 . 2 . . . A 21 LYS HE3 . 19094 1 153 . 1 1 22 22 GLN H H 1 7.8990 0.01 . 1 . . . A 22 GLN H . 19094 1 154 . 1 1 22 22 GLN HA H 1 3.2232 0.01 . 1 . . . A 22 GLN HA . 19094 1 155 . 1 1 22 22 GLN HB2 H 1 0.8649 0.01 . 2 . . . A 22 GLN HB2 . 19094 1 156 . 1 1 22 22 GLN HB3 H 1 1.7574 0.01 . 2 . . . A 22 GLN HB3 . 19094 1 157 . 1 1 22 22 GLN HG3 H 1 2.2046 0.01 . 2 . . . A 22 GLN HG3 . 19094 1 158 . 1 1 22 22 GLN HE21 H 1 7.1073 0.01 . 2 . . . A 22 GLN HE21 . 19094 1 159 . 1 1 22 22 GLN HE22 H 1 6.9124 0.01 . 2 . . . A 22 GLN HE22 . 19094 1 160 . 1 1 23 23 ILE H H 1 8.4164 0.01 . 1 . . . A 23 ILE H . 19094 1 161 . 1 1 23 23 ILE HA H 1 3.0668 0.01 . 1 . . . A 23 ILE HA . 19094 1 162 . 1 1 23 23 ILE HB H 1 1.6464 0.01 . 1 . . . A 23 ILE HB . 19094 1 163 . 1 1 23 23 ILE HG13 H 1 1.7401 0.01 . 2 . . . A 23 ILE HG13 . 19094 1 164 . 1 1 23 23 ILE HG21 H 1 0.6646 0.01 . 1 . . . A 23 ILE HG21 . 19094 1 165 . 1 1 23 23 ILE HG22 H 1 0.6646 0.01 . 1 . . . A 23 ILE HG22 . 19094 1 166 . 1 1 23 23 ILE HG23 H 1 0.6646 0.01 . 1 . . . A 23 ILE HG23 . 19094 1 167 . 1 1 23 23 ILE HD11 H 1 0.9414 0.01 . 1 . . . A 23 ILE HD11 . 19094 1 168 . 1 1 23 23 ILE HD12 H 1 0.9414 0.01 . 1 . . . A 23 ILE HD12 . 19094 1 169 . 1 1 23 23 ILE HD13 H 1 0.9414 0.01 . 1 . . . A 23 ILE HD13 . 19094 1 170 . 1 1 24 24 MET H H 1 8.1069 0.01 . 1 . . . A 24 MET H . 19094 1 171 . 1 1 24 24 MET HA H 1 4.1416 0.01 . 1 . . . A 24 MET HA . 19094 1 172 . 1 1 24 24 MET HB2 H 1 1.7336 0.01 . 2 . . . A 24 MET HB2 . 19094 1 173 . 1 1 24 24 MET HB3 H 1 1.8721 0.01 . 2 . . . A 24 MET HB3 . 19094 1 174 . 1 1 24 24 MET HG3 H 1 2.3051 0.01 . 2 . . . A 24 MET HG3 . 19094 1 175 . 1 1 25 25 GLN H H 1 7.4033 0.01 . 1 . . . A 25 GLN H . 19094 1 176 . 1 1 25 25 GLN HA H 1 3.8338 0.01 . 1 . . . A 25 GLN HA . 19094 1 177 . 1 1 25 25 GLN HB2 H 1 1.6214 0.01 . 2 . . . A 25 GLN HB2 . 19094 1 178 . 1 1 25 25 GLN HB3 H 1 1.7365 0.01 . 2 . . . A 25 GLN HB3 . 19094 1 179 . 1 1 25 25 GLN HG2 H 1 1.8994 0.01 . 2 . . . A 25 GLN HG2 . 19094 1 180 . 1 1 25 25 GLN HG3 H 1 2.2457 0.01 . 2 . . . A 25 GLN HG3 . 19094 1 181 . 1 1 25 25 GLN HE21 H 1 7.0744 0.01 . 2 . . . A 25 GLN HE21 . 19094 1 182 . 1 1 25 25 GLN HE22 H 1 6.6614 0.01 . 2 . . . A 25 GLN HE22 . 19094 1 183 . 1 1 26 26 PHE H H 1 7.8347 0.01 . 1 . . . A 26 PHE H . 19094 1 184 . 1 1 26 26 PHE HA H 1 3.6041 0.01 . 1 . . . A 26 PHE HA . 19094 1 185 . 1 1 26 26 PHE HB2 H 1 2.3132 0.01 . 2 . . . A 26 PHE HB2 . 19094 1 186 . 1 1 26 26 PHE HB3 H 1 2.5528 0.01 . 2 . . . A 26 PHE HB3 . 19094 1 187 . 1 1 26 26 PHE HD2 H 1 5.7245 0.01 . 3 . . . A 26 PHE HD2 . 19094 1 188 . 1 1 26 26 PHE HE2 H 1 5.6257 0.01 . 3 . . . A 26 PHE HE2 . 19094 1 189 . 1 1 26 26 PHE HZ H 1 5.3644 0.01 . 1 . . . A 26 PHE HZ . 19094 1 190 . 1 1 27 27 ILE H H 1 8.6282 0.01 . 1 . . . A 27 ILE H . 19094 1 191 . 1 1 27 27 ILE HA H 1 3.7704 0.01 . 1 . . . A 27 ILE HA . 19094 1 192 . 1 1 27 27 ILE HB H 1 1.8147 0.01 . 1 . . . A 27 ILE HB . 19094 1 193 . 1 1 27 27 ILE HG21 H 1 0.8979 0.01 . 1 . . . A 27 ILE HG21 . 19094 1 194 . 1 1 27 27 ILE HG22 H 1 0.8979 0.01 . 1 . . . A 27 ILE HG22 . 19094 1 195 . 1 1 27 27 ILE HG23 H 1 0.8979 0.01 . 1 . . . A 27 ILE HG23 . 19094 1 196 . 1 1 28 28 GLY H H 1 8.1346 0.01 . 1 . . . A 28 GLY H . 19094 1 197 . 1 1 28 28 GLY HA3 H 1 3.9373 0.01 . 2 . . . A 28 GLY HA3 . 19094 1 198 . 1 1 29 29 GLU H H 1 7.6799 0.01 . 1 . . . A 29 GLU H . 19094 1 199 . 1 1 29 29 GLU HA H 1 4.4438 0.01 . 1 . . . A 29 GLU HA . 19094 1 200 . 1 1 29 29 GLU HB3 H 1 2.1437 0.01 . 2 . . . A 29 GLU HB3 . 19094 1 201 . 1 1 29 29 GLU HG2 H 1 2.4206 0.01 . 2 . . . A 29 GLU HG2 . 19094 1 202 . 1 1 29 29 GLU HG3 H 1 2.5757 0.01 . 2 . . . A 29 GLU HG3 . 19094 1 203 . 1 1 30 30 GLY H H 1 8.0405 0.01 . 1 . . . A 30 GLY H . 19094 1 204 . 1 1 30 30 GLY HA2 H 1 3.9310 0.01 . 2 . . . A 30 GLY HA2 . 19094 1 205 . 1 1 30 30 GLY HA3 H 1 4.2629 0.01 . 2 . . . A 30 GLY HA3 . 19094 1 206 . 1 1 31 31 TRP H H 1 8.3985 0.01 . 1 . . . A 31 TRP H . 19094 1 207 . 1 1 31 31 TRP HA H 1 4.4462 0.01 . 1 . . . A 31 TRP HA . 19094 1 208 . 1 1 31 31 TRP HB2 H 1 2.7367 0.01 . 2 . . . A 31 TRP HB2 . 19094 1 209 . 1 1 31 31 TRP HB3 H 1 3.0196 0.01 . 2 . . . A 31 TRP HB3 . 19094 1 210 . 1 1 31 31 TRP HD1 H 1 7.0252 0.01 . 1 . . . A 31 TRP HD1 . 19094 1 211 . 1 1 31 31 TRP HE1 H 1 10.0284 0.01 . 1 . . . A 31 TRP HE1 . 19094 1 212 . 1 1 31 31 TRP HE3 H 1 6.5048 0.01 . 1 . . . A 31 TRP HE3 . 19094 1 213 . 1 1 31 31 TRP HZ2 H 1 7.1778 0.01 . 1 . . . A 31 TRP HZ2 . 19094 1 214 . 1 1 31 31 TRP HZ3 H 1 5.8791 0.01 . 1 . . . A 31 TRP HZ3 . 19094 1 215 . 1 1 31 31 TRP HH2 H 1 6.5421 0.01 . 1 . . . A 31 TRP HH2 . 19094 1 216 . 1 1 32 32 ALA H H 1 8.4566 0.01 . 1 . . . A 32 ALA H . 19094 1 217 . 1 1 32 32 ALA HA H 1 4.4281 0.01 . 1 . . . A 32 ALA HA . 19094 1 218 . 1 1 32 32 ALA HB1 H 1 1.5666 0.01 . 1 . . . A 32 ALA HB1 . 19094 1 219 . 1 1 32 32 ALA HB2 H 1 1.5666 0.01 . 1 . . . A 32 ALA HB2 . 19094 1 220 . 1 1 32 32 ALA HB3 H 1 1.5666 0.01 . 1 . . . A 32 ALA HB3 . 19094 1 221 . 1 1 33 33 ILE H H 1 8.8829 0.01 . 1 . . . A 33 ILE H . 19094 1 222 . 1 1 33 33 ILE HA H 1 3.9420 0.01 . 1 . . . A 33 ILE HA . 19094 1 223 . 1 1 33 33 ILE HB H 1 2.0524 0.01 . 1 . . . A 33 ILE HB . 19094 1 224 . 1 1 33 33 ILE HG12 H 1 1.4696 0.01 . 2 . . . A 33 ILE HG12 . 19094 1 225 . 1 1 33 33 ILE HG13 H 1 1.5638 0.01 . 2 . . . A 33 ILE HG13 . 19094 1 226 . 1 1 33 33 ILE HG21 H 1 1.0076 0.01 . 1 . . . A 33 ILE HG21 . 19094 1 227 . 1 1 33 33 ILE HG22 H 1 1.0076 0.01 . 1 . . . A 33 ILE HG22 . 19094 1 228 . 1 1 33 33 ILE HG23 H 1 1.0076 0.01 . 1 . . . A 33 ILE HG23 . 19094 1 229 . 1 1 33 33 ILE HD11 H 1 1.0109 0.01 . 1 . . . A 33 ILE HD11 . 19094 1 230 . 1 1 33 33 ILE HD12 H 1 1.0109 0.01 . 1 . . . A 33 ILE HD12 . 19094 1 231 . 1 1 33 33 ILE HD13 H 1 1.0109 0.01 . 1 . . . A 33 ILE HD13 . 19094 1 232 . 1 1 34 34 ASN H H 1 8.7058 0.01 . 1 . . . A 34 ASN H . 19094 1 233 . 1 1 34 34 ASN HA H 1 4.4328 0.01 . 1 . . . A 34 ASN HA . 19094 1 234 . 1 1 34 34 ASN HB2 H 1 2.8014 0.01 . 2 . . . A 34 ASN HB2 . 19094 1 235 . 1 1 34 34 ASN HB3 H 1 2.8197 0.01 . 2 . . . A 34 ASN HB3 . 19094 1 236 . 1 1 34 34 ASN HD21 H 1 7.6532 0.01 . 2 . . . A 34 ASN HD21 . 19094 1 237 . 1 1 34 34 ASN HD22 H 1 6.8912 0.01 . 2 . . . A 34 ASN HD22 . 19094 1 238 . 1 1 35 35 LYS H H 1 7.2483 0.01 . 1 . . . A 35 LYS H . 19094 1 239 . 1 1 35 35 LYS HA H 1 4.1305 0.01 . 1 . . . A 35 LYS HA . 19094 1 240 . 1 1 35 35 LYS HB3 H 1 1.7921 0.01 . 2 . . . A 35 LYS HB3 . 19094 1 241 . 1 1 35 35 LYS HG2 H 1 0.8935 0.01 . 2 . . . A 35 LYS HG2 . 19094 1 242 . 1 1 35 35 LYS HG3 H 1 1.1966 0.01 . 2 . . . A 35 LYS HG3 . 19094 1 243 . 1 1 35 35 LYS HD2 H 1 0.6509 0.01 . 2 . . . A 35 LYS HD2 . 19094 1 244 . 1 1 35 35 LYS HD3 H 1 1.4202 0.01 . 2 . . . A 35 LYS HD3 . 19094 1 245 . 1 1 35 35 LYS HE3 H 1 1.9645 0.01 . 2 . . . A 35 LYS HE3 . 19094 1 246 . 1 1 36 36 ILE H H 1 7.8490 0.01 . 1 . . . A 36 ILE H . 19094 1 247 . 1 1 36 36 ILE HA H 1 3.8204 0.01 . 1 . . . A 36 ILE HA . 19094 1 248 . 1 1 36 36 ILE HB H 1 2.2432 0.01 . 1 . . . A 36 ILE HB . 19094 1 249 . 1 1 36 36 ILE HG21 H 1 1.1213 0.01 . 1 . . . A 36 ILE HG21 . 19094 1 250 . 1 1 36 36 ILE HG22 H 1 1.1213 0.01 . 1 . . . A 36 ILE HG22 . 19094 1 251 . 1 1 36 36 ILE HG23 H 1 1.1213 0.01 . 1 . . . A 36 ILE HG23 . 19094 1 252 . 1 1 37 37 ILE H H 1 8.8698 0.01 . 1 . . . A 37 ILE H . 19094 1 253 . 1 1 37 37 ILE HA H 1 3.7787 0.01 . 1 . . . A 37 ILE HA . 19094 1 254 . 1 1 37 37 ILE HB H 1 2.0866 0.01 . 1 . . . A 37 ILE HB . 19094 1 255 . 1 1 37 37 ILE HG21 H 1 1.1207 0.01 . 1 . . . A 37 ILE HG21 . 19094 1 256 . 1 1 37 37 ILE HG22 H 1 1.1207 0.01 . 1 . . . A 37 ILE HG22 . 19094 1 257 . 1 1 37 37 ILE HG23 H 1 1.1207 0.01 . 1 . . . A 37 ILE HG23 . 19094 1 258 . 1 1 38 38 ASP H H 1 7.9146 0.01 . 1 . . . A 38 ASP H . 19094 1 259 . 1 1 38 38 ASP HA H 1 4.4246 0.01 . 1 . . . A 38 ASP HA . 19094 1 260 . 1 1 38 38 ASP HB2 H 1 2.7300 0.01 . 2 . . . A 38 ASP HB2 . 19094 1 261 . 1 1 38 38 ASP HB3 H 1 2.8457 0.01 . 2 . . . A 38 ASP HB3 . 19094 1 262 . 1 1 39 39 TRP H H 1 7.9997 0.01 . 1 . . . A 39 TRP H . 19094 1 263 . 1 1 39 39 TRP HA H 1 4.1162 0.01 . 1 . . . A 39 TRP HA . 19094 1 264 . 1 1 39 39 TRP HB2 H 1 3.4130 0.01 . 2 . . . A 39 TRP HB2 . 19094 1 265 . 1 1 39 39 TRP HB3 H 1 3.6775 0.01 . 2 . . . A 39 TRP HB3 . 19094 1 266 . 1 1 39 39 TRP HD1 H 1 7.4468 0.01 . 1 . . . A 39 TRP HD1 . 19094 1 267 . 1 1 39 39 TRP HE1 H 1 10.3599 0.01 . 1 . . . A 39 TRP HE1 . 19094 1 268 . 1 1 39 39 TRP HE3 H 1 7.0495 0.01 . 1 . . . A 39 TRP HE3 . 19094 1 269 . 1 1 39 39 TRP HZ2 H 1 7.1299 0.01 . 1 . . . A 39 TRP HZ2 . 19094 1 270 . 1 1 39 39 TRP HZ3 H 1 5.9847 0.01 . 1 . . . A 39 TRP HZ3 . 19094 1 271 . 1 1 39 39 TRP HH2 H 1 6.6017 0.01 . 1 . . . A 39 TRP HH2 . 19094 1 272 . 1 1 40 40 ILE H H 1 9.0712 0.01 . 1 . . . A 40 ILE H . 19094 1 273 . 1 1 40 40 ILE HA H 1 3.1838 0.01 . 1 . . . A 40 ILE HA . 19094 1 274 . 1 1 40 40 ILE HB H 1 1.7553 0.01 . 1 . . . A 40 ILE HB . 19094 1 275 . 1 1 40 40 ILE HG12 H 1 0.9369 0.01 . 2 . . . A 40 ILE HG12 . 19094 1 276 . 1 1 40 40 ILE HG13 H 1 2.1639 0.01 . 2 . . . A 40 ILE HG13 . 19094 1 277 . 1 1 40 40 ILE HG21 H 1 -0.1345 0.01 . 1 . . . A 40 ILE HG21 . 19094 1 278 . 1 1 40 40 ILE HG22 H 1 -0.1345 0.01 . 1 . . . A 40 ILE HG22 . 19094 1 279 . 1 1 40 40 ILE HG23 H 1 -0.1345 0.01 . 1 . . . A 40 ILE HG23 . 19094 1 280 . 1 1 40 40 ILE HD11 H 1 0.7593 0.01 . 1 . . . A 40 ILE HD11 . 19094 1 281 . 1 1 40 40 ILE HD12 H 1 0.7593 0.01 . 1 . . . A 40 ILE HD12 . 19094 1 282 . 1 1 40 40 ILE HD13 H 1 0.7593 0.01 . 1 . . . A 40 ILE HD13 . 19094 1 283 . 1 1 41 41 LYS H H 1 8.6043 0.01 . 1 . . . A 41 LYS H . 19094 1 284 . 1 1 41 41 LYS HA H 1 3.9093 0.01 . 1 . . . A 41 LYS HA . 19094 1 285 . 1 1 41 41 LYS HB2 H 1 1.9978 0.01 . 2 . . . A 41 LYS HB2 . 19094 1 286 . 1 1 41 41 LYS HB3 H 1 2.0856 0.01 . 2 . . . A 41 LYS HB3 . 19094 1 287 . 1 1 41 41 LYS HG3 H 1 1.6926 0.01 . 2 . . . A 41 LYS HG3 . 19094 1 288 . 1 1 41 41 LYS HD2 H 1 1.8011 0.01 . 2 . . . A 41 LYS HD2 . 19094 1 289 . 1 1 41 41 LYS HD3 H 1 1.8583 0.01 . 2 . . . A 41 LYS HD3 . 19094 1 290 . 1 1 41 41 LYS HE2 H 1 3.0022 0.01 . 2 . . . A 41 LYS HE2 . 19094 1 291 . 1 1 41 41 LYS HE3 H 1 3.0634 0.01 . 2 . . . A 41 LYS HE3 . 19094 1 292 . 1 1 42 42 LYS H H 1 7.3088 0.01 . 1 . . . A 42 LYS H . 19094 1 293 . 1 1 42 42 LYS HA H 1 4.0799 0.01 . 1 . . . A 42 LYS HA . 19094 1 294 . 1 1 42 42 LYS HB2 H 1 1.3468 0.01 . 2 . . . A 42 LYS HB2 . 19094 1 295 . 1 1 42 42 LYS HB3 H 1 1.5013 0.01 . 2 . . . A 42 LYS HB3 . 19094 1 296 . 1 1 42 42 LYS HG2 H 1 1.3466 0.01 . 2 . . . A 42 LYS HG2 . 19094 1 297 . 1 1 42 42 LYS HG3 H 1 1.4364 0.01 . 2 . . . A 42 LYS HG3 . 19094 1 298 . 1 1 42 42 LYS HD3 H 1 1.5343 0.01 . 2 . . . A 42 LYS HD3 . 19094 1 299 . 1 1 42 42 LYS HE3 H 1 2.8932 0.01 . 2 . . . A 42 LYS HE3 . 19094 1 300 . 1 1 43 43 HIS H H 1 7.9135 0.01 . 1 . . . A 43 HIS H . 19094 1 301 . 1 1 43 43 HIS HA H 1 4.2923 0.01 . 1 . . . A 43 HIS HA . 19094 1 302 . 1 1 43 43 HIS HB2 H 1 1.9376 0.01 . 2 . . . A 43 HIS HB2 . 19094 1 303 . 1 1 43 43 HIS HB3 H 1 3.2272 0.01 . 2 . . . A 43 HIS HB3 . 19094 1 304 . 1 1 43 43 HIS HD2 H 1 6.9107 0.01 . 1 . . . A 43 HIS HD2 . 19094 1 305 . 1 1 43 43 HIS HE1 H 1 7.1315 0.01 . 1 . . . A 43 HIS HE1 . 19094 1 306 . 1 1 44 44 ILE H H 1 7.1476 0.01 . 1 . . . A 44 ILE H . 19094 1 307 . 1 1 44 44 ILE HA H 1 4.3608 0.01 . 1 . . . A 44 ILE HA . 19094 1 308 . 1 1 44 44 ILE HB H 1 2.0783 0.01 . 1 . . . A 44 ILE HB . 19094 1 309 . 1 1 44 44 ILE HG12 H 1 1.3809 0.01 . 2 . . . A 44 ILE HG12 . 19094 1 310 . 1 1 44 44 ILE HG13 H 1 1.5023 0.01 . 2 . . . A 44 ILE HG13 . 19094 1 311 . 1 1 44 44 ILE HG21 H 1 0.9885 0.01 . 1 . . . A 44 ILE HG21 . 19094 1 312 . 1 1 44 44 ILE HG22 H 1 0.9885 0.01 . 1 . . . A 44 ILE HG22 . 19094 1 313 . 1 1 44 44 ILE HG23 H 1 0.9885 0.01 . 1 . . . A 44 ILE HG23 . 19094 1 314 . 1 1 44 44 ILE HD11 H 1 0.9800 0.01 . 1 . . . A 44 ILE HD11 . 19094 1 315 . 1 1 44 44 ILE HD12 H 1 0.9800 0.01 . 1 . . . A 44 ILE HD12 . 19094 1 316 . 1 1 44 44 ILE HD13 H 1 0.9800 0.01 . 1 . . . A 44 ILE HD13 . 19094 1 stop_ save_