################################### # 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_chem_shift_list_in_d2o _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_in_d2o _Assigned_chem_shift_list.Entry_ID 6576 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $room_temperature _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.017 _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 [1H,_1H]-DQF-COSY 1 $D2O_sample isotropic 6576 1 2 [1H,_1H]-TOCSY 1 $D2O_sample isotropic 6576 1 3 [1H,_1H]-NOESY 1 $D2O_sample isotropic 6576 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 TYR HA H 1 3.34 0.017 . 1 . . . . 1 TYR HA . 6576 1 2 . 1 1 1 1 TYR HB2 H 1 2.68 0.017 . 2 . . . . 1 TYR HB2 . 6576 1 3 . 1 1 1 1 TYR HB3 H 1 2.57 0.017 . 2 . . . . 1 TYR HB3 . 6576 1 4 . 1 1 1 1 TYR HD1 H 1 6.38 0.017 . 1 . . . . 1 TYR HD1 . 6576 1 5 . 1 1 1 1 TYR HD2 H 1 6.38 0.017 . 1 . . . . 1 TYR HD2 . 6576 1 6 . 1 1 1 1 TYR HE1 H 1 6.64 0.017 . 1 . . . . 1 TYR HE1 . 6576 1 7 . 1 1 1 1 TYR HE2 H 1 6.64 0.017 . 1 . . . . 1 TYR HE2 . 6576 1 8 . 1 1 2 2 LYS HA H 1 3.56 0.017 . 1 . . . . 2 LYS HA . 6576 1 9 . 1 1 2 2 LYS HB2 H 1 1.60 0.017 . 1 . . . . 2 LYS HB2 . 6576 1 10 . 1 1 2 2 LYS HB3 H 1 1.60 0.017 . 1 . . . . 2 LYS HB3 . 6576 1 11 . 1 1 2 2 LYS HG2 H 1 1.08 0.017 . 1 . . . . 2 LYS HG2 . 6576 1 12 . 1 1 2 2 LYS HG3 H 1 1.08 0.017 . 1 . . . . 2 LYS HG3 . 6576 1 13 . 1 1 3 3 GLN HA H 1 4.01 0.017 . 1 . . . . 3 GLN HA . 6576 1 14 . 1 1 3 3 GLN HB2 H 1 1.84 0.017 . 1 . . . . 3 GLN HB2 . 6576 1 15 . 1 1 3 3 GLN HB3 H 1 1.84 0.017 . 1 . . . . 3 GLN HB3 . 6576 1 16 . 1 1 3 3 GLN HG2 H 1 2.37 0.017 . 2 . . . . 3 GLN HG2 . 6576 1 17 . 1 1 3 3 GLN HG3 H 1 2.24 0.017 . 2 . . . . 3 GLN HG3 . 6576 1 18 . 1 1 3 3 GLN HE21 H 1 7.45 0.017 . 2 . . . . 3 GLN HE21 . 6576 1 19 . 1 1 3 3 GLN HE22 H 1 6.82 0.017 . 2 . . . . 3 GLN HE22 . 6576 1 20 . 1 1 4 4 CYS HA H 1 4.59 0.017 . 1 . . . . 4 CYS HA . 6576 1 21 . 1 1 4 4 CYS HB2 H 1 3.13 0.017 . 2 . . . . 4 CYS HB2 . 6576 1 22 . 1 1 4 4 CYS HB3 H 1 3.08 0.017 . 2 . . . . 4 CYS HB3 . 6576 1 23 . 1 1 5 5 HIS HA H 1 4.93 0.017 . 1 . . . . 5 HIS HA . 6576 1 24 . 1 1 5 5 HIS HB2 H 1 3.26 0.017 . 2 . . . . 5 HIS HB2 . 6576 1 25 . 1 1 5 5 HIS HB3 H 1 3.22 0.017 . 2 . . . . 5 HIS HB3 . 6576 1 26 . 1 1 5 5 HIS HD2 H 1 6.96 0.017 . 1 . . . . 5 HIS HD2 . 6576 1 27 . 1 1 5 5 HIS HE1 H 1 7.59 0.017 . 1 . . . . 5 HIS HE1 . 6576 1 28 . 1 1 6 6 LYS HA H 1 4.10 0.017 . 1 . . . . 6 LYS HA . 6576 1 29 . 1 1 6 6 LYS HB2 H 1 1.96 0.017 . 1 . . . . 6 LYS HB2 . 6576 1 30 . 1 1 6 6 LYS HB3 H 1 1.96 0.017 . 1 . . . . 6 LYS HB3 . 6576 1 31 . 1 1 6 6 LYS HG2 H 1 1.58 0.017 . 2 . . . . 6 LYS HG2 . 6576 1 32 . 1 1 6 6 LYS HG3 H 1 1.50 0.017 . 2 . . . . 6 LYS HG3 . 6576 1 33 . 1 1 6 6 LYS HD2 H 1 1.67 0.017 . 1 . . . . 6 LYS HD2 . 6576 1 34 . 1 1 6 6 LYS HD3 H 1 1.67 0.017 . 1 . . . . 6 LYS HD3 . 6576 1 35 . 1 1 6 6 LYS HE2 H 1 2.94 0.017 . 1 . . . . 6 LYS HE2 . 6576 1 36 . 1 1 6 6 LYS HE3 H 1 2.94 0.017 . 1 . . . . 6 LYS HE3 . 6576 1 37 . 1 1 7 7 LYS HA H 1 4.17 0.017 . 1 . . . . 7 LYS HA . 6576 1 38 . 1 1 7 7 LYS HB2 H 1 1.73 0.017 . 2 . . . . 7 LYS HB2 . 6576 1 39 . 1 1 7 7 LYS HB3 H 1 1.65 0.017 . 2 . . . . 7 LYS HB3 . 6576 1 40 . 1 1 7 7 LYS HG2 H 1 1.20 0.017 . 1 . . . . 7 LYS HG2 . 6576 1 41 . 1 1 7 7 LYS HG3 H 1 1.20 0.017 . 1 . . . . 7 LYS HG3 . 6576 1 42 . 1 1 7 7 LYS HD2 H 1 1.35 0.017 . 2 . . . . 7 LYS HD2 . 6576 1 43 . 1 1 7 7 LYS HD3 H 1 1.15 0.017 . 2 . . . . 7 LYS HD3 . 6576 1 44 . 1 1 7 7 LYS HE2 H 1 2.37 0.017 . 2 . . . . 7 LYS HE2 . 6576 1 45 . 1 1 7 7 LYS HE3 H 1 2.21 0.017 . 2 . . . . 7 LYS HE3 . 6576 1 46 . 1 1 8 8 GLY HA2 H 1 4.34 0.017 . 2 . . . . 8 GLY HA1 . 6576 1 47 . 1 1 8 8 GLY HA3 H 1 3.86 0.017 . 2 . . . . 8 GLY HA2 . 6576 1 48 . 1 1 9 9 GLY HA2 H 1 4.99 0.017 . 2 . . . . 9 GLY HA1 . 6576 1 49 . 1 1 9 9 GLY HA3 H 1 3.58 0.017 . 2 . . . . 9 GLY HA2 . 6576 1 50 . 1 1 10 10 HIS HA H 1 4.68 0.017 . 1 . . . . 10 HIS HA . 6576 1 51 . 1 1 10 10 HIS HB2 H 1 2.71 0.017 . 2 . . . . 10 HIS HB2 . 6576 1 52 . 1 1 10 10 HIS HB3 H 1 2.70 0.017 . 2 . . . . 10 HIS HB3 . 6576 1 53 . 1 1 10 10 HIS HD2 H 1 6.39 0.017 . 1 . . . . 10 HIS HD2 . 6576 1 54 . 1 1 10 10 HIS HE1 H 1 7.46 0.017 . 1 . . . . 10 HIS HE1 . 6576 1 55 . 1 1 11 11 CYS HA H 1 5.73 0.017 . 1 . . . . 11 CYS HA . 6576 1 56 . 1 1 11 11 CYS HB2 H 1 3.13 0.017 . 2 . . . . 11 CYS HB2 . 6576 1 57 . 1 1 11 11 CYS HB3 H 1 2.88 0.017 . 2 . . . . 11 CYS HB3 . 6576 1 58 . 1 1 12 12 PHE HA H 1 4.95 0.017 . 1 . . . . 12 PHE HA . 6576 1 59 . 1 1 12 12 PHE HB2 H 1 2.95 0.017 . 2 . . . . 12 PHE HB2 . 6576 1 60 . 1 1 12 12 PHE HB3 H 1 2.39 0.017 . 2 . . . . 12 PHE HB3 . 6576 1 61 . 1 1 12 12 PHE HD1 H 1 7.34 0.017 . 1 . . . . 12 PHE HD1 . 6576 1 62 . 1 1 12 12 PHE HD2 H 1 7.34 0.017 . 1 . . . . 12 PHE HD2 . 6576 1 63 . 1 1 12 12 PHE HE1 H 1 7.38 0.017 . 1 . . . . 12 PHE HE1 . 6576 1 64 . 1 1 12 12 PHE HE2 H 1 7.38 0.017 . 1 . . . . 12 PHE HE2 . 6576 1 65 . 1 1 12 12 PHE HZ H 1 7.32 0.017 . 1 . . . . 12 PHE HZ . 6576 1 66 . 1 1 13 13 PRO HA H 1 3.13 0.017 . 1 . . . . 13 PRO HA . 6576 1 67 . 1 1 13 13 PRO HB2 H 1 1.73 0.017 . 2 . . . . 13 PRO HB2 . 6576 1 68 . 1 1 13 13 PRO HB3 H 1 1.54 0.017 . 2 . . . . 13 PRO HB3 . 6576 1 69 . 1 1 13 13 PRO HG2 H 1 1.08 0.017 . 1 . . . . 13 PRO HG2 . 6576 1 70 . 1 1 13 13 PRO HG3 H 1 1.08 0.017 . 1 . . . . 13 PRO HG3 . 6576 1 71 . 1 1 13 13 PRO HD2 H 1 3.40 0.017 . 2 . . . . 13 PRO HD2 . 6576 1 72 . 1 1 13 13 PRO HD3 H 1 3.21 0.017 . 2 . . . . 13 PRO HD3 . 6576 1 73 . 1 1 14 14 LYS HA H 1 3.58 0.017 . 1 . . . . 14 LYS HA . 6576 1 74 . 1 1 14 14 LYS HB2 H 1 1.67 0.017 . 2 . . . . 14 LYS HB2 . 6576 1 75 . 1 1 14 14 LYS HB3 H 1 1.37 0.017 . 2 . . . . 14 LYS HB3 . 6576 1 76 . 1 1 14 14 LYS HG2 H 1 1.24 0.017 . 2 . . . . 14 LYS HG2 . 6576 1 77 . 1 1 14 14 LYS HG3 H 1 1.07 0.017 . 2 . . . . 14 LYS HG3 . 6576 1 78 . 1 1 14 14 LYS HE2 H 1 2.83 0.017 . 1 . . . . 14 LYS HE2 . 6576 1 79 . 1 1 14 14 LYS HE3 H 1 2.83 0.017 . 1 . . . . 14 LYS HE3 . 6576 1 80 . 1 1 15 15 GLU HA H 1 3.89 0.017 . 1 . . . . 15 GLU HA . 6576 1 81 . 1 1 15 15 GLU HB2 H 1 1.90 0.017 . 2 . . . . 15 GLU HB2 . 6576 1 82 . 1 1 15 15 GLU HB3 H 1 1.82 0.017 . 2 . . . . 15 GLU HB3 . 6576 1 83 . 1 1 15 15 GLU HG2 H 1 2.27 0.017 . 2 . . . . 15 GLU HG2 . 6576 1 84 . 1 1 15 15 GLU HG3 H 1 2.10 0.017 . 2 . . . . 15 GLU HG3 . 6576 1 85 . 1 1 16 16 LYS HA H 1 3.86 0.017 . 1 . . . . 16 LYS HA . 6576 1 86 . 1 1 16 16 LYS HB2 H 1 1.64 0.017 . 1 . . . . 16 LYS HB2 . 6576 1 87 . 1 1 16 16 LYS HB3 H 1 1.64 0.017 . 1 . . . . 16 LYS HB3 . 6576 1 88 . 1 1 16 16 LYS HG2 H 1 0.81 0.017 . 1 . . . . 16 LYS HG2 . 6576 1 89 . 1 1 16 16 LYS HG3 H 1 0.81 0.017 . 1 . . . . 16 LYS HG3 . 6576 1 90 . 1 1 16 16 LYS HD2 H 1 1.31 0.017 . 2 . . . . 16 LYS HD2 . 6576 1 91 . 1 1 16 16 LYS HD3 H 1 1.04 0.017 . 2 . . . . 16 LYS HD3 . 6576 1 92 . 1 1 16 16 LYS HE2 H 1 2.43 0.017 . 2 . . . . 16 LYS HE2 . 6576 1 93 . 1 1 16 16 LYS HE3 H 1 2.08 0.017 . 2 . . . . 16 LYS HE3 . 6576 1 94 . 1 1 17 17 ILE HA H 1 3.92 0.017 . 1 . . . . 17 ILE HA . 6576 1 95 . 1 1 17 17 ILE HB H 1 1.70 0.017 . 1 . . . . 17 ILE HB . 6576 1 96 . 1 1 17 17 ILE HG12 H 1 1.48 0.017 . 2 . . . . 17 ILE HG12 . 6576 1 97 . 1 1 17 17 ILE HG13 H 1 1.08 0.017 . 2 . . . . 17 ILE HG13 . 6576 1 98 . 1 1 17 17 ILE HG21 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 1 99 . 1 1 17 17 ILE HG22 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 1 100 . 1 1 17 17 ILE HG23 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 1 101 . 1 1 17 17 ILE HD11 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 1 102 . 1 1 17 17 ILE HD12 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 1 103 . 1 1 17 17 ILE HD13 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 1 104 . 1 1 18 18 CYS HA H 1 4.39 0.017 . 1 . . . . 18 CYS HA . 6576 1 105 . 1 1 18 18 CYS HB2 H 1 2.82 0.017 . 1 . . . . 18 CYS HB2 . 6576 1 106 . 1 1 18 18 CYS HB3 H 1 2.82 0.017 . 1 . . . . 18 CYS HB3 . 6576 1 107 . 1 1 19 19 LEU HA H 1 4.34 0.017 . 1 . . . . 19 LEU HA . 6576 1 108 . 1 1 19 19 LEU HB2 H 1 1.47 0.017 . 2 . . . . 19 LEU HB2 . 6576 1 109 . 1 1 19 19 LEU HB3 H 1 1.29 0.017 . 2 . . . . 19 LEU HB3 . 6576 1 110 . 1 1 19 19 LEU HG H 1 1.29 0.017 . 1 . . . . 19 LEU HG . 6576 1 111 . 1 1 19 19 LEU HD11 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 1 112 . 1 1 19 19 LEU HD12 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 1 113 . 1 1 19 19 LEU HD13 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 1 114 . 1 1 20 20 PRO HA H 1 4.83 0.017 . 1 . . . . 20 PRO HA . 6576 1 115 . 1 1 20 20 PRO HB2 H 1 2.51 0.017 . 2 . . . . 20 PRO HB2 . 6576 1 116 . 1 1 20 20 PRO HB3 H 1 2.31 0.017 . 2 . . . . 20 PRO HB3 . 6576 1 117 . 1 1 20 20 PRO HG2 H 1 1.92 0.017 . 2 . . . . 20 PRO HG2 . 6576 1 118 . 1 1 20 20 PRO HG3 H 1 1.76 0.017 . 2 . . . . 20 PRO HG3 . 6576 1 119 . 1 1 20 20 PRO HD2 H 1 3.53 0.017 . 2 . . . . 20 PRO HD2 . 6576 1 120 . 1 1 20 20 PRO HD3 H 1 3.39 0.017 . 2 . . . . 20 PRO HD3 . 6576 1 121 . 1 1 21 21 PRO HA H 1 4.43 0.017 . 1 . . . . 21 PRO HA . 6576 1 122 . 1 1 21 21 PRO HB2 H 1 2.50 0.017 . 2 . . . . 21 PRO HB2 . 6576 1 123 . 1 1 21 21 PRO HB3 H 1 1.98 0.017 . 2 . . . . 21 PRO HB3 . 6576 1 124 . 1 1 21 21 PRO HG2 H 1 2.20 0.017 . 2 . . . . 21 PRO HG2 . 6576 1 125 . 1 1 21 21 PRO HG3 H 1 2.02 0.017 . 2 . . . . 21 PRO HG3 . 6576 1 126 . 1 1 21 21 PRO HD2 H 1 3.86 0.017 . 2 . . . . 21 PRO HD2 . 6576 1 127 . 1 1 21 21 PRO HD3 H 1 3.82 0.017 . 2 . . . . 21 PRO HD3 . 6576 1 128 . 1 1 22 22 SER HA H 1 4.25 0.017 . 1 . . . . 22 SER HA . 6576 1 129 . 1 1 22 22 SER HB2 H 1 4.05 0.017 . 2 . . . . 22 SER HB2 . 6576 1 130 . 1 1 22 22 SER HB3 H 1 3.91 0.017 . 2 . . . . 22 SER HB3 . 6576 1 131 . 1 1 23 23 SER HA H 1 4.05 0.017 . 1 . . . . 23 SER HA . 6576 1 132 . 1 1 23 23 SER HB2 H 1 3.80 0.017 . 2 . . . . 23 SER HB2 . 6576 1 133 . 1 1 23 23 SER HB3 H 1 3.77 0.017 . 2 . . . . 23 SER HB3 . 6576 1 134 . 1 1 24 24 ASP HA H 1 4.91 0.017 . 1 . . . . 24 ASP HA . 6576 1 135 . 1 1 24 24 ASP HB2 H 1 3.24 0.017 . 2 . . . . 24 ASP HB2 . 6576 1 136 . 1 1 24 24 ASP HB3 H 1 2.21 0.017 . 2 . . . . 24 ASP HB3 . 6576 1 137 . 1 1 25 25 PHE HA H 1 5.03 0.017 . 1 . . . . 25 PHE HA . 6576 1 138 . 1 1 25 25 PHE HB2 H 1 3.58 0.017 . 2 . . . . 25 PHE HB2 . 6576 1 139 . 1 1 25 25 PHE HB3 H 1 2.64 0.017 . 2 . . . . 25 PHE HB3 . 6576 1 140 . 1 1 25 25 PHE HD1 H 1 7.07 0.017 . 1 . . . . 25 PHE HD1 . 6576 1 141 . 1 1 25 25 PHE HD2 H 1 7.07 0.017 . 1 . . . . 25 PHE HD2 . 6576 1 142 . 1 1 25 25 PHE HE1 H 1 7.20 0.017 . 1 . . . . 25 PHE HE1 . 6576 1 143 . 1 1 25 25 PHE HE2 H 1 7.20 0.017 . 1 . . . . 25 PHE HE2 . 6576 1 144 . 1 1 26 26 GLY HA2 H 1 4.33 0.017 . 2 . . . . 26 GLY HA1 . 6576 1 145 . 1 1 26 26 GLY HA3 H 1 3.94 0.017 . 2 . . . . 26 GLY HA2 . 6576 1 146 . 1 1 27 27 LYS HA H 1 3.95 0.017 . 1 . . . . 27 LYS HA . 6576 1 147 . 1 1 27 27 LYS HB2 H 1 1.91 0.017 . 2 . . . . 27 LYS HB2 . 6576 1 148 . 1 1 27 27 LYS HB3 H 1 1.84 0.017 . 2 . . . . 27 LYS HB3 . 6576 1 149 . 1 1 27 27 LYS HG2 H 1 1.62 0.017 . 2 . . . . 27 LYS HG2 . 6576 1 150 . 1 1 27 27 LYS HG3 H 1 1.39 0.017 . 2 . . . . 27 LYS HG3 . 6576 1 151 . 1 1 27 27 LYS HD2 H 1 1.80 0.017 . 2 . . . . 27 LYS HD2 . 6576 1 152 . 1 1 27 27 LYS HD3 H 1 1.70 0.017 . 2 . . . . 27 LYS HD3 . 6576 1 153 . 1 1 27 27 LYS HE2 H 1 3.07 0.017 . 2 . . . . 27 LYS HE2 . 6576 1 154 . 1 1 27 27 LYS HE3 H 1 3.00 0.017 . 2 . . . . 27 LYS HE3 . 6576 1 155 . 1 1 28 28 MET HA H 1 3.92 0.017 . 1 . . . . 28 MET HA . 6576 1 156 . 1 1 28 28 MET HB2 H 1 2.23 0.017 . 2 . . . . 28 MET HB2 . 6576 1 157 . 1 1 28 28 MET HB3 H 1 1.88 0.017 . 2 . . . . 28 MET HB3 . 6576 1 158 . 1 1 28 28 MET HG2 H 1 2.60 0.017 . 2 . . . . 28 MET HG2 . 6576 1 159 . 1 1 28 28 MET HG3 H 1 2.44 0.017 . 2 . . . . 28 MET HG3 . 6576 1 160 . 1 1 28 28 MET HE1 H 1 1.84 0.017 . 1 . . . . 28 MET HE . 6576 1 161 . 1 1 28 28 MET HE2 H 1 1.84 0.017 . 1 . . . . 28 MET HE . 6576 1 162 . 1 1 28 28 MET HE3 H 1 1.84 0.017 . 1 . . . . 28 MET HE . 6576 1 163 . 1 1 29 29 ASP HA H 1 4.71 0.017 . 1 . . . . 29 ASP HA . 6576 1 164 . 1 1 29 29 ASP HB2 H 1 3.02 0.017 . 2 . . . . 29 ASP HB2 . 6576 1 165 . 1 1 29 29 ASP HB3 H 1 2.42 0.017 . 2 . . . . 29 ASP HB3 . 6576 1 166 . 1 1 30 30 CYS HA H 1 4.58 0.017 . 1 . . . . 30 CYS HA . 6576 1 167 . 1 1 30 30 CYS HB2 H 1 3.17 0.017 . 2 . . . . 30 CYS HB2 . 6576 1 168 . 1 1 30 30 CYS HB3 H 1 3.10 0.017 . 2 . . . . 30 CYS HB3 . 6576 1 169 . 1 1 31 31 ARG HA H 1 4.14 0.017 . 1 . . . . 31 ARG HA . 6576 1 170 . 1 1 31 31 ARG HB2 H 1 1.69 0.017 . 2 . . . . 31 ARG HB2 . 6576 1 171 . 1 1 31 31 ARG HB3 H 1 1.52 0.017 . 2 . . . . 31 ARG HB3 . 6576 1 172 . 1 1 31 31 ARG HG2 H 1 1.39 0.017 . 2 . . . . 31 ARG HG2 . 6576 1 173 . 1 1 31 31 ARG HG3 H 1 1.35 0.017 . 2 . . . . 31 ARG HG3 . 6576 1 174 . 1 1 31 31 ARG HD2 H 1 2.61 0.017 . 2 . . . . 31 ARG HD2 . 6576 1 175 . 1 1 31 31 ARG HD3 H 1 2.55 0.017 . 2 . . . . 31 ARG HD3 . 6576 1 176 . 1 1 32 32 TRP HA H 1 4.46 0.017 . 1 . . . . 32 TRP HA . 6576 1 177 . 1 1 32 32 TRP HB2 H 1 3.34 0.017 . 2 . . . . 32 TRP HB2 . 6576 1 178 . 1 1 32 32 TRP HB3 H 1 3.20 0.017 . 2 . . . . 32 TRP HB3 . 6576 1 179 . 1 1 32 32 TRP HD1 H 1 7.32 0.017 . 1 . . . . 32 TRP HD1 . 6576 1 180 . 1 1 32 32 TRP HE1 H 1 10.24 0.017 . 1 . . . . 32 TRP HE1 . 6576 1 181 . 1 1 32 32 TRP HE3 H 1 7.64 0.017 . 1 . . . . 32 TRP HE3 . 6576 1 182 . 1 1 32 32 TRP HZ2 H 1 7.50 0.017 . 1 . . . . 32 TRP HZ2 . 6576 1 183 . 1 1 32 32 TRP HZ3 H 1 7.17 0.017 . 1 . . . . 32 TRP HZ3 . 6576 1 184 . 1 1 32 32 TRP HH2 H 1 7.25 0.017 . 1 . . . . 32 TRP HH2 . 6576 1 185 . 1 1 33 33 ARG HA H 1 3.38 0.017 . 1 . . . . 33 ARG HA . 6576 1 186 . 1 1 33 33 ARG HB2 H 1 1.93 0.017 . 2 . . . . 33 ARG HB2 . 6576 1 187 . 1 1 33 33 ARG HB3 H 1 1.82 0.017 . 2 . . . . 33 ARG HB3 . 6576 1 188 . 1 1 33 33 ARG HG2 H 1 0.89 0.017 . 2 . . . . 33 ARG HG2 . 6576 1 189 . 1 1 33 33 ARG HG3 H 1 0.56 0.017 . 2 . . . . 33 ARG HG3 . 6576 1 190 . 1 1 33 33 ARG HD2 H 1 2.77 0.017 . 1 . . . . 33 ARG HD2 . 6576 1 191 . 1 1 33 33 ARG HD3 H 1 2.77 0.017 . 1 . . . . 33 ARG HD3 . 6576 1 192 . 1 1 34 34 TRP HA H 1 5.09 0.017 . 1 . . . . 34 TRP HA . 6576 1 193 . 1 1 34 34 TRP HB2 H 1 3.43 0.017 . 2 . . . . 34 TRP HB2 . 6576 1 194 . 1 1 34 34 TRP HB3 H 1 3.07 0.017 . 2 . . . . 34 TRP HB3 . 6576 1 195 . 1 1 34 34 TRP HD1 H 1 7.34 0.017 . 1 . . . . 34 TRP HD1 . 6576 1 196 . 1 1 34 34 TRP HE1 H 1 10.25 0.017 . 1 . . . . 34 TRP HE1 . 6576 1 197 . 1 1 34 34 TRP HE3 H 1 7.04 0.017 . 1 . . . . 34 TRP HE3 . 6576 1 198 . 1 1 34 34 TRP HZ2 H 1 7.47 0.017 . 1 . . . . 34 TRP HZ2 . 6576 1 199 . 1 1 34 34 TRP HZ3 H 1 7.18 0.017 . 1 . . . . 34 TRP HZ3 . 6576 1 200 . 1 1 34 34 TRP HH2 H 1 7.20 0.017 . 1 . . . . 34 TRP HH2 . 6576 1 201 . 1 1 35 35 LYS HA H 1 4.82 0.017 . 1 . . . . 35 LYS HA . 6576 1 202 . 1 1 35 35 LYS HB2 H 1 1.60 0.017 . 2 . . . . 35 LYS HB2 . 6576 1 203 . 1 1 35 35 LYS HB3 H 1 1.55 0.017 . 2 . . . . 35 LYS HB3 . 6576 1 204 . 1 1 35 35 LYS HG2 H 1 1.19 0.017 . 1 . . . . 35 LYS HG2 . 6576 1 205 . 1 1 35 35 LYS HG3 H 1 1.19 0.017 . 1 . . . . 35 LYS HG3 . 6576 1 206 . 1 1 35 35 LYS HD2 H 1 1.85 0.017 . 2 . . . . 35 LYS HD2 . 6576 1 207 . 1 1 35 35 LYS HD3 H 1 1.42 0.017 . 2 . . . . 35 LYS HD3 . 6576 1 208 . 1 1 35 35 LYS HE2 H 1 2.95 0.017 . 2 . . . . 35 LYS HE2 . 6576 1 209 . 1 1 35 35 LYS HE3 H 1 2.76 0.017 . 2 . . . . 35 LYS HE3 . 6576 1 210 . 1 1 36 36 CYS HA H 1 5.43 0.017 . 1 . . . . 36 CYS HA . 6576 1 211 . 1 1 36 36 CYS HB2 H 1 3.42 0.017 . 2 . . . . 36 CYS HB2 . 6576 1 212 . 1 1 36 36 CYS HB3 H 1 2.97 0.017 . 2 . . . . 36 CYS HB3 . 6576 1 213 . 1 1 37 37 CYS HA H 1 5.40 0.017 . 1 . . . . 37 CYS HA . 6576 1 214 . 1 1 37 37 CYS HB2 H 1 3.11 0.017 . 2 . . . . 37 CYS HB2 . 6576 1 215 . 1 1 37 37 CYS HB3 H 1 3.03 0.017 . 2 . . . . 37 CYS HB3 . 6576 1 216 . 1 1 38 38 LYS HA H 1 3.96 0.017 . 1 . . . . 38 LYS HA . 6576 1 217 . 1 1 38 38 LYS HB2 H 1 1.64 0.017 . 1 . . . . 38 LYS HB2 . 6576 1 218 . 1 1 38 38 LYS HB3 H 1 1.64 0.017 . 1 . . . . 38 LYS HB3 . 6576 1 219 . 1 1 38 38 LYS HG2 H 1 1.55 0.017 . 1 . . . . 38 LYS HG2 . 6576 1 220 . 1 1 38 38 LYS HG3 H 1 1.55 0.017 . 1 . . . . 38 LYS HG3 . 6576 1 221 . 1 1 38 38 LYS HD2 H 1 3.10 0.017 . 1 . . . . 38 LYS HD2 . 6576 1 222 . 1 1 38 38 LYS HD3 H 1 3.10 0.017 . 1 . . . . 38 LYS HD3 . 6576 1 223 . 1 1 38 38 LYS HE2 H 1 3.11 0.017 . 1 . . . . 38 LYS HE2 . 6576 1 224 . 1 1 38 38 LYS HE3 H 1 3.11 0.017 . 1 . . . . 38 LYS HE3 . 6576 1 225 . 1 1 39 39 LYS HA H 1 4.16 0.017 . 1 . . . . 39 LYS HA . 6576 1 226 . 1 1 39 39 LYS HB2 H 1 1.65 0.017 . 2 . . . . 39 LYS HB2 . 6576 1 227 . 1 1 39 39 LYS HB3 H 1 1.60 0.017 . 2 . . . . 39 LYS HB3 . 6576 1 228 . 1 1 39 39 LYS HG2 H 1 1.29 0.017 . 1 . . . . 39 LYS HG2 . 6576 1 229 . 1 1 39 39 LYS HG3 H 1 1.29 0.017 . 1 . . . . 39 LYS HG3 . 6576 1 230 . 1 1 39 39 LYS HD3 H 1 1.41 0.017 . 2 . . . . 39 LYS HD3 . 6576 1 231 . 1 1 40 40 GLY HA2 H 1 4.05 0.017 . 1 . . . . 40 GLY HA1 . 6576 1 232 . 1 1 40 40 GLY HA3 H 1 4.05 0.017 . 1 . . . . 40 GLY HA2 . 6576 1 233 . 1 1 41 41 SER HA H 1 4.47 0.017 . 1 . . . . 41 SER HA . 6576 1 234 . 1 1 41 41 SER HB2 H 1 3.89 0.017 . 2 . . . . 41 SER HB2 . 6576 1 235 . 1 1 41 41 SER HB3 H 1 3.77 0.017 . 2 . . . . 41 SER HB3 . 6576 1 236 . 1 1 42 42 GLY HA2 H 1 3.73 0.017 . 2 . . . . 42 GLY HA1 . 6576 1 237 . 1 1 42 42 GLY HA3 H 1 3.53 0.017 . 2 . . . . 42 GLY HA2 . 6576 1 stop_ save_ ################################### # 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list _Assigned_chem_shift_list.Entry_ID 6576 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $room_temperature _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.017 _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 [1H,_1H]-DQF-COSY 2 $sample isotropic 6576 2 2 [1H,_1H]-TOCSY 2 $sample isotropic 6576 2 3 [1H,_1H]-NOESY 2 $sample isotropic 6576 2 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 TYR HA H 1 3.35 0.017 . 1 . . . . 1 TYR HA . 6576 2 2 . 1 1 1 1 TYR HB2 H 1 2.68 0.017 . 2 . . . . 1 TYR HB2 . 6576 2 3 . 1 1 1 1 TYR HB3 H 1 2.57 0.017 . 2 . . . . 1 TYR HB3 . 6576 2 4 . 1 1 1 1 TYR HD1 H 1 6.39 0.017 . 1 . . . . 1 TYR HD1 . 6576 2 5 . 1 1 1 1 TYR HD2 H 1 6.39 0.017 . 1 . . . . 1 TYR HD2 . 6576 2 6 . 1 1 1 1 TYR HE1 H 1 6.65 0.017 . 1 . . . . 1 TYR HE1 . 6576 2 7 . 1 1 1 1 TYR HE2 H 1 6.65 0.017 . 1 . . . . 1 TYR HE2 . 6576 2 8 . 1 1 2 2 LYS HA H 1 3.56 0.017 . 1 . . . . 2 LYS HA . 6576 2 9 . 1 1 2 2 LYS HB2 H 1 1.60 0.017 . 1 . . . . 2 LYS HB2 . 6576 2 10 . 1 1 2 2 LYS HB3 H 1 1.60 0.017 . 1 . . . . 2 LYS HB3 . 6576 2 11 . 1 1 2 2 LYS HG2 H 1 1.08 0.017 . 1 . . . . 2 LYS HG2 . 6576 2 12 . 1 1 2 2 LYS HG3 H 1 1.08 0.017 . 1 . . . . 2 LYS HG3 . 6576 2 13 . 1 1 3 3 GLN HA H 1 4.01 0.017 . 1 . . . . 3 GLN HA . 6576 2 14 . 1 1 3 3 GLN HB2 H 1 1.84 0.017 . 1 . . . . 3 GLN HB2 . 6576 2 15 . 1 1 3 3 GLN HB3 H 1 1.84 0.017 . 1 . . . . 3 GLN HB3 . 6576 2 16 . 1 1 3 3 GLN HG2 H 1 2.37 0.017 . 2 . . . . 3 GLN HG2 . 6576 2 17 . 1 1 3 3 GLN HG3 H 1 2.24 0.017 . 2 . . . . 3 GLN HG3 . 6576 2 18 . 1 1 3 3 GLN HE21 H 1 7.45 0.017 . 2 . . . . 3 GLN HE21 . 6576 2 19 . 1 1 3 3 GLN HE22 H 1 6.82 0.017 . 2 . . . . 3 GLN HE22 . 6576 2 20 . 1 1 4 4 CYS H H 1 8.74 0.017 . 1 . . . . 4 CYS HN . 6576 2 21 . 1 1 4 4 CYS HA H 1 4.58 0.017 . 1 . . . . 4 CYS HA . 6576 2 22 . 1 1 4 4 CYS HB2 H 1 3.12 0.017 . 2 . . . . 4 CYS HB2 . 6576 2 23 . 1 1 4 4 CYS HB3 H 1 3.08 0.017 . 2 . . . . 4 CYS HB3 . 6576 2 24 . 1 1 5 5 HIS H H 1 9.27 0.017 . 1 . . . . 5 HIS HN . 6576 2 25 . 1 1 5 5 HIS HA H 1 4.93 0.017 . 1 . . . . 5 HIS HA . 6576 2 26 . 1 1 5 5 HIS HB2 H 1 3.26 0.017 . 2 . . . . 5 HIS HB2 . 6576 2 27 . 1 1 5 5 HIS HB3 H 1 3.23 0.017 . 2 . . . . 5 HIS HB3 . 6576 2 28 . 1 1 5 5 HIS HD2 H 1 6.95 0.017 . 1 . . . . 5 HIS HD2 . 6576 2 29 . 1 1 5 5 HIS HE1 H 1 7.59 0.017 . 1 . . . . 5 HIS HE1 . 6576 2 30 . 1 1 6 6 LYS H H 1 8.37 0.017 . 1 . . . . 6 LYS HN . 6576 2 31 . 1 1 6 6 LYS HA H 1 4.10 0.017 . 1 . . . . 6 LYS HA . 6576 2 32 . 1 1 6 6 LYS HB2 H 1 1.96 0.017 . 1 . . . . 6 LYS HB2 . 6576 2 33 . 1 1 6 6 LYS HB3 H 1 1.96 0.017 . 1 . . . . 6 LYS HB3 . 6576 2 34 . 1 1 6 6 LYS HG2 H 1 1.58 0.017 . 2 . . . . 6 LYS HG2 . 6576 2 35 . 1 1 6 6 LYS HG3 H 1 1.50 0.017 . 2 . . . . 6 LYS HG3 . 6576 2 36 . 1 1 6 6 LYS HD2 H 1 1.67 0.017 . 1 . . . . 6 LYS HD2 . 6576 2 37 . 1 1 6 6 LYS HD3 H 1 1.67 0.017 . 1 . . . . 6 LYS HD3 . 6576 2 38 . 1 1 6 6 LYS HE2 H 1 2.94 0.017 . 1 . . . . 6 LYS HE2 . 6576 2 39 . 1 1 6 6 LYS HE3 H 1 2.94 0.017 . 1 . . . . 6 LYS HE3 . 6576 2 40 . 1 1 7 7 LYS H H 1 7.42 0.017 . 1 . . . . 7 LYS HN . 6576 2 41 . 1 1 7 7 LYS HA H 1 4.18 0.017 . 1 . . . . 7 LYS HA . 6576 2 42 . 1 1 7 7 LYS HB2 H 1 1.73 0.017 . 2 . . . . 7 LYS HB2 . 6576 2 43 . 1 1 7 7 LYS HB3 H 1 1.64 0.017 . 2 . . . . 7 LYS HB3 . 6576 2 44 . 1 1 7 7 LYS HG2 H 1 1.20 0.017 . 1 . . . . 7 LYS HG2 . 6576 2 45 . 1 1 7 7 LYS HG3 H 1 1.20 0.017 . 1 . . . . 7 LYS HG3 . 6576 2 46 . 1 1 7 7 LYS HD2 H 1 1.35 0.017 . 2 . . . . 7 LYS HD2 . 6576 2 47 . 1 1 7 7 LYS HD3 H 1 1.15 0.017 . 2 . . . . 7 LYS HD3 . 6576 2 48 . 1 1 7 7 LYS HE2 H 1 2.37 0.017 . 2 . . . . 7 LYS HE2 . 6576 2 49 . 1 1 7 7 LYS HE3 H 1 2.21 0.017 . 2 . . . . 7 LYS HE3 . 6576 2 50 . 1 1 8 8 GLY H H 1 8.06 0.017 . 1 . . . . 8 GLY HN . 6576 2 51 . 1 1 8 8 GLY HA2 H 1 4.34 0.017 . 2 . . . . 8 GLY HA1 . 6576 2 52 . 1 1 8 8 GLY HA3 H 1 3.86 0.017 . 2 . . . . 8 GLY HA2 . 6576 2 53 . 1 1 9 9 GLY H H 1 8.27 0.017 . 1 . . . . 9 GLY HN . 6576 2 54 . 1 1 9 9 GLY HA2 H 1 4.99 0.017 . 2 . . . . 9 GLY HA1 . 6576 2 55 . 1 1 9 9 GLY HA3 H 1 3.58 0.017 . 2 . . . . 9 GLY HA2 . 6576 2 56 . 1 1 10 10 HIS H H 1 8.72 0.017 . 1 . . . . 10 HIS HN . 6576 2 57 . 1 1 10 10 HIS HA H 1 4.67 0.017 . 1 . . . . 10 HIS HA . 6576 2 58 . 1 1 10 10 HIS HB2 H 1 2.71 0.017 . 2 . . . . 10 HIS HB2 . 6576 2 59 . 1 1 10 10 HIS HB3 H 1 2.70 0.017 . 2 . . . . 10 HIS HB3 . 6576 2 60 . 1 1 10 10 HIS HD2 H 1 6.39 0.017 . 1 . . . . 10 HIS HD2 . 6576 2 61 . 1 1 10 10 HIS HE1 H 1 7.46 0.017 . 1 . . . . 10 HIS HE1 . 6576 2 62 . 1 1 11 11 CYS H H 1 8.60 0.017 . 1 . . . . 11 CYS HN . 6576 2 63 . 1 1 11 11 CYS HA H 1 5.71 0.017 . 1 . . . . 11 CYS HA . 6576 2 64 . 1 1 11 11 CYS HB2 H 1 3.13 0.017 . 2 . . . . 11 CYS HB2 . 6576 2 65 . 1 1 11 11 CYS HB3 H 1 2.89 0.017 . 2 . . . . 11 CYS HB3 . 6576 2 66 . 1 1 12 12 PHE H H 1 10.44 0.017 . 1 . . . . 12 PHE HN . 6576 2 67 . 1 1 12 12 PHE HA H 1 4.95 0.017 . 1 . . . . 12 PHE HA . 6576 2 68 . 1 1 12 12 PHE HB2 H 1 2.94 0.017 . 2 . . . . 12 PHE HB2 . 6576 2 69 . 1 1 12 12 PHE HB3 H 1 2.39 0.017 . 2 . . . . 12 PHE HB3 . 6576 2 70 . 1 1 12 12 PHE HD1 H 1 7.34 0.017 . 1 . . . . 12 PHE HD1 . 6576 2 71 . 1 1 12 12 PHE HD2 H 1 7.34 0.017 . 1 . . . . 12 PHE HD2 . 6576 2 72 . 1 1 12 12 PHE HE1 H 1 7.38 0.017 . 1 . . . . 12 PHE HE1 . 6576 2 73 . 1 1 12 12 PHE HE2 H 1 7.38 0.017 . 1 . . . . 12 PHE HE2 . 6576 2 74 . 1 1 12 12 PHE HZ H 1 7.32 0.017 . 1 . . . . 12 PHE HZ . 6576 2 75 . 1 1 13 13 PRO HA H 1 3.13 0.017 . 1 . . . . 13 PRO HA . 6576 2 76 . 1 1 13 13 PRO HB2 H 1 1.73 0.017 . 2 . . . . 13 PRO HB2 . 6576 2 77 . 1 1 13 13 PRO HB3 H 1 1.54 0.017 . 2 . . . . 13 PRO HB3 . 6576 2 78 . 1 1 13 13 PRO HG2 H 1 1.08 0.017 . 1 . . . . 13 PRO HG2 . 6576 2 79 . 1 1 13 13 PRO HG3 H 1 1.08 0.017 . 1 . . . . 13 PRO HG3 . 6576 2 80 . 1 1 13 13 PRO HD2 H 1 3.40 0.017 . 2 . . . . 13 PRO HD2 . 6576 2 81 . 1 1 13 13 PRO HD3 H 1 3.21 0.017 . 2 . . . . 13 PRO HD3 . 6576 2 82 . 1 1 14 14 LYS H H 1 7.98 0.017 . 1 . . . . 14 LYS HN . 6576 2 83 . 1 1 14 14 LYS HA H 1 3.58 0.017 . 1 . . . . 14 LYS HA . 6576 2 84 . 1 1 14 14 LYS HB2 H 1 1.67 0.017 . 2 . . . . 14 LYS HB2 . 6576 2 85 . 1 1 14 14 LYS HB3 H 1 1.37 0.017 . 2 . . . . 14 LYS HB3 . 6576 2 86 . 1 1 14 14 LYS HG2 H 1 1.24 0.017 . 2 . . . . 14 LYS HG2 . 6576 2 87 . 1 1 14 14 LYS HG3 H 1 1.07 0.017 . 2 . . . . 14 LYS HG3 . 6576 2 88 . 1 1 14 14 LYS HE2 H 1 2.83 0.017 . 1 . . . . 14 LYS HE2 . 6576 2 89 . 1 1 14 14 LYS HE3 H 1 2.83 0.017 . 1 . . . . 14 LYS HE3 . 6576 2 90 . 1 1 15 15 GLU H H 1 8.65 0.017 . 1 . . . . 15 GLU HN . 6576 2 91 . 1 1 15 15 GLU HA H 1 3.90 0.017 . 1 . . . . 15 GLU HA . 6576 2 92 . 1 1 15 15 GLU HB2 H 1 1.90 0.017 . 2 . . . . 15 GLU HB2 . 6576 2 93 . 1 1 15 15 GLU HB3 H 1 1.82 0.017 . 2 . . . . 15 GLU HB3 . 6576 2 94 . 1 1 15 15 GLU HG2 H 1 2.27 0.017 . 2 . . . . 15 GLU HG2 . 6576 2 95 . 1 1 15 15 GLU HG3 H 1 2.10 0.017 . 2 . . . . 15 GLU HG3 . 6576 2 96 . 1 1 16 16 LYS H H 1 7.69 0.017 . 1 . . . . 16 LYS HN . 6576 2 97 . 1 1 16 16 LYS HA H 1 3.86 0.017 . 1 . . . . 16 LYS HA . 6576 2 98 . 1 1 16 16 LYS HB2 H 1 1.64 0.017 . 1 . . . . 16 LYS HB2 . 6576 2 99 . 1 1 16 16 LYS HB3 H 1 1.64 0.017 . 1 . . . . 16 LYS HB3 . 6576 2 100 . 1 1 16 16 LYS HG2 H 1 0.81 0.017 . 1 . . . . 16 LYS HG2 . 6576 2 101 . 1 1 16 16 LYS HG3 H 1 0.81 0.017 . 1 . . . . 16 LYS HG3 . 6576 2 102 . 1 1 16 16 LYS HD2 H 1 1.31 0.017 . 2 . . . . 16 LYS HD2 . 6576 2 103 . 1 1 16 16 LYS HD3 H 1 1.03 0.017 . 2 . . . . 16 LYS HD3 . 6576 2 104 . 1 1 16 16 LYS HE2 H 1 2.43 0.017 . 2 . . . . 16 LYS HE2 . 6576 2 105 . 1 1 16 16 LYS HE3 H 1 2.08 0.017 . 2 . . . . 16 LYS HE3 . 6576 2 106 . 1 1 17 17 ILE H H 1 8.39 0.017 . 1 . . . . 17 ILE HN . 6576 2 107 . 1 1 17 17 ILE HA H 1 3.92 0.017 . 1 . . . . 17 ILE HA . 6576 2 108 . 1 1 17 17 ILE HB H 1 1.70 0.017 . 1 . . . . 17 ILE HB . 6576 2 109 . 1 1 17 17 ILE HG12 H 1 1.48 0.017 . 2 . . . . 17 ILE HG12 . 6576 2 110 . 1 1 17 17 ILE HG13 H 1 1.08 0.017 . 2 . . . . 17 ILE HG13 . 6576 2 111 . 1 1 17 17 ILE HG21 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 2 112 . 1 1 17 17 ILE HG22 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 2 113 . 1 1 17 17 ILE HG23 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 2 114 . 1 1 17 17 ILE HD11 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 2 115 . 1 1 17 17 ILE HD12 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 2 116 . 1 1 17 17 ILE HD13 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 2 117 . 1 1 18 18 CYS H H 1 8.82 0.017 . 1 . . . . 18 CYS HN . 6576 2 118 . 1 1 18 18 CYS HA H 1 4.39 0.017 . 1 . . . . 18 CYS HA . 6576 2 119 . 1 1 18 18 CYS HB2 H 1 2.82 0.017 . 1 . . . . 18 CYS HB2 . 6576 2 120 . 1 1 18 18 CYS HB3 H 1 2.82 0.017 . 1 . . . . 18 CYS HB3 . 6576 2 121 . 1 1 19 19 LEU H H 1 8.11 0.017 . 1 . . . . 19 LEU HN . 6576 2 122 . 1 1 19 19 LEU HA H 1 4.34 0.017 . 1 . . . . 19 LEU HA . 6576 2 123 . 1 1 19 19 LEU HB2 H 1 1.47 0.017 . 2 . . . . 19 LEU HB2 . 6576 2 124 . 1 1 19 19 LEU HB3 H 1 1.29 0.017 . 2 . . . . 19 LEU HB3 . 6576 2 125 . 1 1 19 19 LEU HG H 1 1.29 0.017 . 1 . . . . 19 LEU HG . 6576 2 126 . 1 1 19 19 LEU HD11 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 2 127 . 1 1 19 19 LEU HD12 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 2 128 . 1 1 19 19 LEU HD13 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 2 129 . 1 1 20 20 PRO HA H 1 4.83 0.017 . 1 . . . . 20 PRO HA . 6576 2 130 . 1 1 20 20 PRO HB2 H 1 2.51 0.017 . 2 . . . . 20 PRO HB2 . 6576 2 131 . 1 1 20 20 PRO HB3 H 1 2.31 0.017 . 2 . . . . 20 PRO HB3 . 6576 2 132 . 1 1 20 20 PRO HG2 H 1 1.92 0.017 . 2 . . . . 20 PRO HG2 . 6576 2 133 . 1 1 20 20 PRO HG3 H 1 1.76 0.017 . 2 . . . . 20 PRO HG3 . 6576 2 134 . 1 1 20 20 PRO HD2 H 1 3.53 0.017 . 2 . . . . 20 PRO HD2 . 6576 2 135 . 1 1 20 20 PRO HD3 H 1 3.39 0.017 . 2 . . . . 20 PRO HD3 . 6576 2 136 . 1 1 21 21 PRO HA H 1 4.43 0.017 . 1 . . . . 21 PRO HA . 6576 2 137 . 1 1 21 21 PRO HB2 H 1 2.50 0.017 . 2 . . . . 21 PRO HB2 . 6576 2 138 . 1 1 21 21 PRO HB3 H 1 1.98 0.017 . 2 . . . . 21 PRO HB3 . 6576 2 139 . 1 1 21 21 PRO HG2 H 1 2.20 0.017 . 2 . . . . 21 PRO HG2 . 6576 2 140 . 1 1 21 21 PRO HG3 H 1 2.02 0.017 . 2 . . . . 21 PRO HG3 . 6576 2 141 . 1 1 21 21 PRO HD2 H 1 3.84 0.017 . 2 . . . . 21 PRO HD2 . 6576 2 142 . 1 1 21 21 PRO HD3 H 1 3.82 0.017 . 2 . . . . 21 PRO HD3 . 6576 2 143 . 1 1 22 22 SER H H 1 7.87 0.017 . 1 . . . . 22 SER HN . 6576 2 144 . 1 1 22 22 SER HA H 1 4.25 0.017 . 1 . . . . 22 SER HA . 6576 2 145 . 1 1 22 22 SER HB2 H 1 4.05 0.017 . 2 . . . . 22 SER HB2 . 6576 2 146 . 1 1 22 22 SER HB3 H 1 3.91 0.017 . 2 . . . . 22 SER HB3 . 6576 2 147 . 1 1 23 23 SER H H 1 8.56 0.017 . 1 . . . . 23 SER HN . 6576 2 148 . 1 1 23 23 SER HA H 1 4.05 0.017 . 1 . . . . 23 SER HA . 6576 2 149 . 1 1 23 23 SER HB2 H 1 3.80 0.017 . 2 . . . . 23 SER HB2 . 6576 2 150 . 1 1 23 23 SER HB3 H 1 3.77 0.017 . 2 . . . . 23 SER HB3 . 6576 2 151 . 1 1 24 24 ASP H H 1 7.35 0.017 . 1 . . . . 24 ASP HN . 6576 2 152 . 1 1 24 24 ASP HA H 1 4.91 0.017 . 1 . . . . 24 ASP HA . 6576 2 153 . 1 1 24 24 ASP HB2 H 1 3.24 0.017 . 2 . . . . 24 ASP HB2 . 6576 2 154 . 1 1 24 24 ASP HB3 H 1 2.21 0.017 . 2 . . . . 24 ASP HB3 . 6576 2 155 . 1 1 25 25 PHE H H 1 8.62 0.017 . 1 . . . . 25 PHE HN . 6576 2 156 . 1 1 25 25 PHE HA H 1 5.03 0.017 . 1 . . . . 25 PHE HA . 6576 2 157 . 1 1 25 25 PHE HB2 H 1 3.58 0.017 . 2 . . . . 25 PHE HB2 . 6576 2 158 . 1 1 25 25 PHE HB3 H 1 2.63 0.017 . 2 . . . . 25 PHE HB3 . 6576 2 159 . 1 1 25 25 PHE HD1 H 1 7.06 0.017 . 1 . . . . 25 PHE HD1 . 6576 2 160 . 1 1 25 25 PHE HD2 H 1 7.06 0.017 . 1 . . . . 25 PHE HD2 . 6576 2 161 . 1 1 25 25 PHE HE1 H 1 7.20 0.017 . 1 . . . . 25 PHE HE1 . 6576 2 162 . 1 1 25 25 PHE HE2 H 1 7.20 0.017 . 1 . . . . 25 PHE HE2 . 6576 2 163 . 1 1 26 26 GLY H H 1 8.74 0.017 . 1 . . . . 26 GLY HN . 6576 2 164 . 1 1 26 26 GLY HA2 H 1 4.33 0.017 . 2 . . . . 26 GLY HA1 . 6576 2 165 . 1 1 26 26 GLY HA3 H 1 3.94 0.017 . 2 . . . . 26 GLY HA2 . 6576 2 166 . 1 1 27 27 LYS H H 1 8.61 0.017 . 1 . . . . 27 LYS HN . 6576 2 167 . 1 1 27 27 LYS HA H 1 3.95 0.017 . 1 . . . . 27 LYS HA . 6576 2 168 . 1 1 27 27 LYS HB2 H 1 1.91 0.017 . 2 . . . . 27 LYS HB2 . 6576 2 169 . 1 1 27 27 LYS HB3 H 1 1.84 0.017 . 2 . . . . 27 LYS HB3 . 6576 2 170 . 1 1 27 27 LYS HG2 H 1 1.62 0.017 . 2 . . . . 27 LYS HG2 . 6576 2 171 . 1 1 27 27 LYS HG3 H 1 1.39 0.017 . 2 . . . . 27 LYS HG3 . 6576 2 172 . 1 1 27 27 LYS HD2 H 1 1.80 0.017 . 2 . . . . 27 LYS HD2 . 6576 2 173 . 1 1 27 27 LYS HD3 H 1 1.70 0.017 . 2 . . . . 27 LYS HD3 . 6576 2 174 . 1 1 27 27 LYS HE2 H 1 3.07 0.017 . 2 . . . . 27 LYS HE2 . 6576 2 175 . 1 1 27 27 LYS HE3 H 1 3.00 0.017 . 2 . . . . 27 LYS HE3 . 6576 2 176 . 1 1 28 28 MET H H 1 8.70 0.017 . 1 . . . . 28 MET HN . 6576 2 177 . 1 1 28 28 MET HA H 1 3.92 0.017 . 1 . . . . 28 MET HA . 6576 2 178 . 1 1 28 28 MET HB2 H 1 2.23 0.017 . 2 . . . . 28 MET HB2 . 6576 2 179 . 1 1 28 28 MET HB3 H 1 1.84 0.017 . 2 . . . . 28 MET HB3 . 6576 2 180 . 1 1 28 28 MET HG2 H 1 2.60 0.017 . 2 . . . . 28 MET HG2 . 6576 2 181 . 1 1 28 28 MET HG3 H 1 2.44 0.017 . 2 . . . . 28 MET HG3 . 6576 2 182 . 1 1 28 28 MET HE1 H 1 1.85 0.017 . 1 . . . . 28 MET HE . 6576 2 183 . 1 1 28 28 MET HE2 H 1 1.85 0.017 . 1 . . . . 28 MET HE . 6576 2 184 . 1 1 28 28 MET HE3 H 1 1.85 0.017 . 1 . . . . 28 MET HE . 6576 2 185 . 1 1 29 29 ASP H H 1 8.92 0.017 . 1 . . . . 29 ASP HN . 6576 2 186 . 1 1 29 29 ASP HA H 1 4.71 0.017 . 1 . . . . 29 ASP HA . 6576 2 187 . 1 1 29 29 ASP HB2 H 1 3.02 0.017 . 2 . . . . 29 ASP HB2 . 6576 2 188 . 1 1 29 29 ASP HB3 H 1 2.42 0.017 . 2 . . . . 29 ASP HB3 . 6576 2 189 . 1 1 30 30 CYS H H 1 8.35 0.017 . 1 . . . . 30 CYS HN . 6576 2 190 . 1 1 30 30 CYS HA H 1 4.57 0.017 . 1 . . . . 30 CYS HA . 6576 2 191 . 1 1 30 30 CYS HB2 H 1 3.17 0.017 . 2 . . . . 30 CYS HB2 . 6576 2 192 . 1 1 30 30 CYS HB3 H 1 3.10 0.017 . 2 . . . . 30 CYS HB3 . 6576 2 193 . 1 1 31 31 ARG H H 1 8.30 0.017 . 1 . . . . 31 ARG HN . 6576 2 194 . 1 1 31 31 ARG HA H 1 4.13 0.017 . 1 . . . . 31 ARG HA . 6576 2 195 . 1 1 31 31 ARG HB2 H 1 1.69 0.017 . 2 . . . . 31 ARG HB2 . 6576 2 196 . 1 1 31 31 ARG HB3 H 1 1.50 0.017 . 2 . . . . 31 ARG HB3 . 6576 2 197 . 1 1 31 31 ARG HG2 H 1 1.39 0.017 . 2 . . . . 31 ARG HG2 . 6576 2 198 . 1 1 31 31 ARG HG3 H 1 1.35 0.017 . 2 . . . . 31 ARG HG3 . 6576 2 199 . 1 1 31 31 ARG HD2 H 1 2.60 0.017 . 2 . . . . 31 ARG HD2 . 6576 2 200 . 1 1 31 31 ARG HD3 H 1 2.55 0.017 . 2 . . . . 31 ARG HD3 . 6576 2 201 . 1 1 32 32 TRP H H 1 8.23 0.017 . 1 . . . . 32 TRP HN . 6576 2 202 . 1 1 32 32 TRP HA H 1 4.46 0.017 . 1 . . . . 32 TRP HA . 6576 2 203 . 1 1 32 32 TRP HB2 H 1 3.34 0.017 . 2 . . . . 32 TRP HB2 . 6576 2 204 . 1 1 32 32 TRP HB3 H 1 3.20 0.017 . 2 . . . . 32 TRP HB3 . 6576 2 205 . 1 1 32 32 TRP HD1 H 1 7.32 0.017 . 1 . . . . 32 TRP HD1 . 6576 2 206 . 1 1 32 32 TRP HE1 H 1 10.24 0.017 . 1 . . . . 32 TRP HE1 . 6576 2 207 . 1 1 32 32 TRP HE3 H 1 7.64 0.017 . 1 . . . . 32 TRP HE3 . 6576 2 208 . 1 1 32 32 TRP HZ2 H 1 7.50 0.017 . 1 . . . . 32 TRP HZ2 . 6576 2 209 . 1 1 32 32 TRP HZ3 H 1 7.17 0.017 . 1 . . . . 32 TRP HZ3 . 6576 2 210 . 1 1 32 32 TRP HH2 H 1 7.25 0.017 . 1 . . . . 32 TRP HH2 . 6576 2 211 . 1 1 33 33 ARG H H 1 8.38 0.017 . 1 . . . . 33 ARG HN . 6576 2 212 . 1 1 33 33 ARG HA H 1 3.39 0.017 . 1 . . . . 33 ARG HA . 6576 2 213 . 1 1 33 33 ARG HB2 H 1 1.94 0.017 . 2 . . . . 33 ARG HB2 . 6576 2 214 . 1 1 33 33 ARG HB3 H 1 1.82 0.017 . 2 . . . . 33 ARG HB3 . 6576 2 215 . 1 1 33 33 ARG HG2 H 1 0.90 0.017 . 2 . . . . 33 ARG HG2 . 6576 2 216 . 1 1 33 33 ARG HG3 H 1 0.58 0.017 . 2 . . . . 33 ARG HG3 . 6576 2 217 . 1 1 33 33 ARG HD2 H 1 2.77 0.017 . 1 . . . . 33 ARG HD2 . 6576 2 218 . 1 1 33 33 ARG HD3 H 1 2.77 0.017 . 1 . . . . 33 ARG HD3 . 6576 2 219 . 1 1 34 34 TRP H H 1 8.99 0.017 . 1 . . . . 34 TRP HN . 6576 2 220 . 1 1 34 34 TRP HA H 1 5.08 0.017 . 1 . . . . 34 TRP HA . 6576 2 221 . 1 1 34 34 TRP HB2 H 1 3.41 0.017 . 2 . . . . 34 TRP HB2 . 6576 2 222 . 1 1 34 34 TRP HB3 H 1 3.07 0.017 . 2 . . . . 34 TRP HB3 . 6576 2 223 . 1 1 34 34 TRP HD1 H 1 7.34 0.017 . 1 . . . . 34 TRP HD1 . 6576 2 224 . 1 1 34 34 TRP HE1 H 1 10.25 0.017 . 1 . . . . 34 TRP HE1 . 6576 2 225 . 1 1 34 34 TRP HE3 H 1 7.04 0.017 . 1 . . . . 34 TRP HE3 . 6576 2 226 . 1 1 34 34 TRP HZ2 H 1 7.47 0.017 . 1 . . . . 34 TRP HZ2 . 6576 2 227 . 1 1 34 34 TRP HZ3 H 1 7.18 0.017 . 1 . . . . 34 TRP HZ3 . 6576 2 228 . 1 1 34 34 TRP HH2 H 1 7.20 0.017 . 1 . . . . 34 TRP HH2 . 6576 2 229 . 1 1 35 35 LYS H H 1 10.06 0.017 . 1 . . . . 35 LYS HN . 6576 2 230 . 1 1 35 35 LYS HA H 1 4.82 0.017 . 1 . . . . 35 LYS HA . 6576 2 231 . 1 1 35 35 LYS HB2 H 1 1.60 0.017 . 2 . . . . 35 LYS HB2 . 6576 2 232 . 1 1 35 35 LYS HB3 H 1 1.55 0.017 . 2 . . . . 35 LYS HB3 . 6576 2 233 . 1 1 35 35 LYS HG2 H 1 1.19 0.017 . 1 . . . . 35 LYS HG2 . 6576 2 234 . 1 1 35 35 LYS HG3 H 1 1.19 0.017 . 1 . . . . 35 LYS HG3 . 6576 2 235 . 1 1 35 35 LYS HD2 H 1 1.84 0.017 . 2 . . . . 35 LYS HD2 . 6576 2 236 . 1 1 35 35 LYS HD3 H 1 1.42 0.017 . 2 . . . . 35 LYS HD3 . 6576 2 237 . 1 1 35 35 LYS HE2 H 1 2.95 0.017 . 2 . . . . 35 LYS HE2 . 6576 2 238 . 1 1 35 35 LYS HE3 H 1 2.76 0.017 . 2 . . . . 35 LYS HE3 . 6576 2 239 . 1 1 36 36 CYS H H 1 9.03 0.017 . 1 . . . . 36 CYS HN . 6576 2 240 . 1 1 36 36 CYS HA H 1 5.41 0.017 . 1 . . . . 36 CYS HA . 6576 2 241 . 1 1 36 36 CYS HB2 H 1 3.42 0.017 . 2 . . . . 36 CYS HB2 . 6576 2 242 . 1 1 36 36 CYS HB3 H 1 2.97 0.017 . 2 . . . . 36 CYS HB3 . 6576 2 243 . 1 1 37 37 CYS H H 1 9.29 0.017 . 1 . . . . 37 CYS HN . 6576 2 244 . 1 1 37 37 CYS HA H 1 5.40 0.017 . 1 . . . . 37 CYS HA . 6576 2 245 . 1 1 37 37 CYS HB2 H 1 3.12 0.017 . 2 . . . . 37 CYS HB2 . 6576 2 246 . 1 1 37 37 CYS HB3 H 1 3.02 0.017 . 2 . . . . 37 CYS HB3 . 6576 2 247 . 1 1 38 38 LYS H H 1 8.36 0.017 . 1 . . . . 38 LYS HN . 6576 2 248 . 1 1 38 38 LYS HA H 1 3.96 0.017 . 1 . . . . 38 LYS HA . 6576 2 249 . 1 1 38 38 LYS HB2 H 1 1.64 0.017 . 1 . . . . 38 LYS HB2 . 6576 2 250 . 1 1 38 38 LYS HB3 H 1 1.64 0.017 . 1 . . . . 38 LYS HB3 . 6576 2 251 . 1 1 38 38 LYS HG2 H 1 1.55 0.017 . 1 . . . . 38 LYS HG2 . 6576 2 252 . 1 1 38 38 LYS HG3 H 1 1.55 0.017 . 1 . . . . 38 LYS HG3 . 6576 2 253 . 1 1 38 38 LYS HD2 H 1 3.10 0.017 . 1 . . . . 38 LYS HD2 . 6576 2 254 . 1 1 38 38 LYS HD3 H 1 3.10 0.017 . 1 . . . . 38 LYS HD3 . 6576 2 255 . 1 1 38 38 LYS HE2 H 1 3.11 0.017 . 1 . . . . 38 LYS HE2 . 6576 2 256 . 1 1 38 38 LYS HE3 H 1 3.11 0.017 . 1 . . . . 38 LYS HE3 . 6576 2 257 . 1 1 39 39 LYS H H 1 8.69 0.017 . 1 . . . . 39 LYS HN . 6576 2 258 . 1 1 39 39 LYS HA H 1 4.17 0.017 . 1 . . . . 39 LYS HA . 6576 2 259 . 1 1 39 39 LYS HB2 H 1 1.66 0.017 . 2 . . . . 39 LYS HB2 . 6576 2 260 . 1 1 39 39 LYS HB3 H 1 1.60 0.017 . 2 . . . . 39 LYS HB3 . 6576 2 261 . 1 1 39 39 LYS HG2 H 1 1.29 0.017 . 1 . . . . 39 LYS HG2 . 6576 2 262 . 1 1 39 39 LYS HG3 H 1 1.29 0.017 . 1 . . . . 39 LYS HG3 . 6576 2 263 . 1 1 39 39 LYS HD3 H 1 1.41 0.017 . 2 . . . . 39 LYS HD3 . 6576 2 264 . 1 1 40 40 GLY H H 1 8.79 0.017 . 1 . . . . 40 GLY HN . 6576 2 265 . 1 1 40 40 GLY HA2 H 1 4.05 0.017 . 1 . . . . 40 GLY HA1 . 6576 2 266 . 1 1 40 40 GLY HA3 H 1 4.05 0.017 . 1 . . . . 40 GLY HA2 . 6576 2 267 . 1 1 41 41 SER H H 1 8.24 0.017 . 1 . . . . 41 SER HN . 6576 2 268 . 1 1 41 41 SER HA H 1 4.47 0.017 . 1 . . . . 41 SER HA . 6576 2 269 . 1 1 41 41 SER HB2 H 1 3.89 0.017 . 2 . . . . 41 SER HB2 . 6576 2 270 . 1 1 41 41 SER HB3 H 1 3.77 0.017 . 2 . . . . 41 SER HB3 . 6576 2 271 . 1 1 42 42 GLY H H 1 7.95 0.017 . 1 . . . . 42 GLY HN . 6576 2 272 . 1 1 42 42 GLY HA2 H 1 3.73 0.017 . 2 . . . . 42 GLY HA1 . 6576 2 273 . 1 1 42 42 GLY HA3 H 1 3.53 0.017 . 2 . . . . 42 GLY HA2 . 6576 2 stop_ save_