################################### # 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 27730 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 27730 1 2 '2D 1H-1H NOESY' . . . 27730 1 4 '2D 1H-1H ROESY' . . . 27730 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27730 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.Ambiguity_set_ID _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 2 2 VAL H H 1 9.06 0.02 . 1 . . . . . 2 VAL H . 27730 1 2 . 1 1 2 2 VAL HA H 1 3.91 0.02 . 1 . . . . . 2 VAL HA . 27730 1 3 . 1 1 2 2 VAL HB H 1 2.25 0.02 . 1 . . . . . 2 VAL HB . 27730 1 4 . 1 1 2 2 VAL HG11 H 1 1.10 0.02 . 2 . . . . . 2 VAL QG1 . 27730 1 5 . 1 1 2 2 VAL HG12 H 1 1.10 0.02 . 2 . . . . . 2 VAL QG1 . 27730 1 6 . 1 1 2 2 VAL HG13 H 1 1.10 0.02 . 2 . . . . . 2 VAL QG1 . 27730 1 7 . 1 1 2 2 VAL HG21 H 1 1.01 0.02 . 2 . . . . . 2 VAL QG2 . 27730 1 8 . 1 1 2 2 VAL HG22 H 1 1.01 0.02 . 2 . . . . . 2 VAL QG2 . 27730 1 9 . 1 1 2 2 VAL HG23 H 1 1.01 0.02 . 2 . . . . . 2 VAL QG2 . 27730 1 10 . 1 1 3 3 PHE H H 1 7.60 0.02 . 1 . . . . . 3 PHE H . 27730 1 11 . 1 1 3 3 PHE HA H 1 4.12 0.02 . 1 . . . . . 3 PHE HA . 27730 1 12 . 1 1 3 3 PHE HB2 H 1 3.29 0.02 . 1 . . . . . 3 PHE HB2 . 27730 1 13 . 1 1 3 3 PHE HB3 H 1 2.82 0.02 . 1 . . . . . 3 PHE HB3 . 27730 1 14 . 1 1 3 3 PHE HD1 H 1 6.84 0.02 . 3 . . . . . 3 PHE HD1 . 27730 1 15 . 1 1 3 3 PHE HD2 H 1 6.84 0.02 . 3 . . . . . 3 PHE HD2 . 27730 1 16 . 1 1 3 3 PHE HE1 H 1 6.84 0.02 . 3 . . . . . 3 PHE HE1 . 27730 1 17 . 1 1 3 3 PHE HE2 H 1 6.84 0.02 . 3 . . . . . 3 PHE HE2 . 27730 1 18 . 1 1 4 4 TYR H H 1 8.08 0.02 . 1 . . . . . 4 TYR H . 27730 1 19 . 1 1 4 4 TYR HA H 1 4.12 0.02 . 1 . . . . . 4 TYR HA . 27730 1 20 . 1 1 4 4 TYR HB2 H 1 3.07 0.02 . 1 . . . . . 4 TYR HB2 . 27730 1 21 . 1 1 4 4 TYR HB3 H 1 2.96 0.02 . 1 . . . . . 4 TYR HB3 . 27730 1 22 . 1 1 4 4 TYR HD1 H 1 7.06 0.02 . 3 . . . . . 4 TYR HD1 . 27730 1 23 . 1 1 4 4 TYR HD2 H 1 7.06 0.02 . 3 . . . . . 4 TYR HD2 . 27730 1 24 . 1 1 4 4 TYR HE1 H 1 7.44 0.02 . 3 . . . . . 4 TYR HE1 . 27730 1 25 . 1 1 4 4 TYR HE2 H 1 7.44 0.02 . 3 . . . . . 4 TYR HE2 . 27730 1 26 . 1 1 5 5 VAL H H 1 8.31 0.02 . 1 . . . . . 5 VAL H . 27730 1 27 . 1 1 5 5 VAL HA H 1 3.47 0.02 . 1 . . . . . 5 VAL HA . 27730 1 28 . 1 1 5 5 VAL HB H 1 2.19 0.02 . 1 . . . . . 5 VAL HB . 27730 1 29 . 1 1 5 5 VAL HG11 H 1 0.99 0.02 . 2 . . . . . 5 VAL QG1 . 27730 1 30 . 1 1 5 5 VAL HG12 H 1 0.99 0.02 . 2 . . . . . 5 VAL QG1 . 27730 1 31 . 1 1 5 5 VAL HG13 H 1 0.99 0.02 . 2 . . . . . 5 VAL QG1 . 27730 1 32 . 1 1 5 5 VAL HG21 H 1 0.84 0.02 . 2 . . . . . 5 VAL QG2 . 27730 1 33 . 1 1 5 5 VAL HG22 H 1 0.84 0.02 . 2 . . . . . 5 VAL QG2 . 27730 1 34 . 1 1 5 5 VAL HG23 H 1 0.84 0.02 . 2 . . . . . 5 VAL QG2 . 27730 1 35 . 1 1 6 6 ALA H H 1 8.12 0.02 . 1 . . . . . 6 ALA H . 27730 1 36 . 1 1 6 6 ALA HA H 1 3.82 0.02 . 1 . . . . . 6 ALA HA . 27730 1 37 . 1 1 6 6 ALA HB1 H 1 1.41 0.02 . 1 . . . . . 6 ALA HB . 27730 1 38 . 1 1 6 6 ALA HB2 H 1 1.41 0.02 . 1 . . . . . 6 ALA HB . 27730 1 39 . 1 1 6 6 ALA HB3 H 1 1.41 0.02 . 1 . . . . . 6 ALA HB . 27730 1 40 . 1 1 7 7 LEU H H 1 7.89 0.02 . 1 . . . . . 7 LEU H . 27730 1 41 . 1 1 7 7 LEU HA H 1 3.82 0.02 . 1 . . . . . 7 LEU HA . 27730 1 42 . 1 1 7 7 LEU HB2 H 1 1.49 0.02 . 2 . . . . . 7 LEU HB2 . 27730 1 43 . 1 1 7 7 LEU HB3 H 1 1.49 0.02 . 2 . . . . . 7 LEU HB3 . 27730 1 44 . 1 1 7 7 LEU HG H 1 1.41 0.02 . 1 . . . . . 7 LEU HG . 27730 1 45 . 1 1 7 7 LEU HD11 H 1 1.00 0.02 . 2 . . . . . 7 LEU QD1 . 27730 1 46 . 1 1 7 7 LEU HD12 H 1 1.00 0.02 . 2 . . . . . 7 LEU QD1 . 27730 1 47 . 1 1 7 7 LEU HD13 H 1 1.00 0.02 . 2 . . . . . 7 LEU QD1 . 27730 1 48 . 1 1 7 7 LEU HD21 H 1 0.84 0.02 . 2 . . . . . 7 LEU QD2 . 27730 1 49 . 1 1 7 7 LEU HD22 H 1 0.84 0.02 . 2 . . . . . 7 LEU QD2 . 27730 1 50 . 1 1 7 7 LEU HD23 H 1 0.84 0.02 . 2 . . . . . 7 LEU QD2 . 27730 1 51 . 1 1 8 8 THR H H 1 8.41 0.02 . 1 . . . . . 8 THR H . 27730 1 52 . 1 1 9 9 ALA H H 1 8.08 0.02 . 1 . . . . . 9 ALA H . 27730 1 53 . 1 1 9 9 ALA HA H 1 3.90 0.02 . 1 . . . . . 9 ALA HA . 27730 1 54 . 1 1 9 9 ALA HB1 H 1 1.35 0.02 . 1 . . . . . 9 ALA HB . 27730 1 55 . 1 1 9 9 ALA HB2 H 1 1.35 0.02 . 1 . . . . . 9 ALA HB . 27730 1 56 . 1 1 9 9 ALA HB3 H 1 1.35 0.02 . 1 . . . . . 9 ALA HB . 27730 1 57 . 1 1 10 10 VAL H H 1 8.41 0.02 . 1 . . . . . 10 VAL H . 27730 1 58 . 1 1 10 10 VAL HA H 1 3.86 0.02 . 1 . . . . . 10 VAL HA . 27730 1 59 . 1 1 10 10 VAL HB H 1 2.35 0.02 . 1 . . . . . 10 VAL HB . 27730 1 60 . 1 1 10 10 VAL HG11 H 1 1.17 0.02 . 2 . . . . . 10 VAL QG1 . 27730 1 61 . 1 1 10 10 VAL HG12 H 1 1.17 0.02 . 2 . . . . . 10 VAL QG1 . 27730 1 62 . 1 1 10 10 VAL HG13 H 1 1.17 0.02 . 2 . . . . . 10 VAL QG1 . 27730 1 63 . 1 1 10 10 VAL HG21 H 1 1.05 0.02 . 2 . . . . . 10 VAL QG2 . 27730 1 64 . 1 1 10 10 VAL HG22 H 1 1.05 0.02 . 2 . . . . . 10 VAL QG2 . 27730 1 65 . 1 1 10 10 VAL HG23 H 1 1.05 0.02 . 2 . . . . . 10 VAL QG2 . 27730 1 66 . 1 1 11 11 NLE H H 1 7.76 0.02 . 1 . . . . . 11 NLE H . 27730 1 67 . 1 1 11 11 NLE HA H 1 4.23 0.02 . 1 . . . . . 11 NLE HA . 27730 1 68 . 1 1 11 11 NLE HE1 H 1 0.78 0.02 . 2 . . . . . 11 NLE QE . 27730 1 69 . 1 1 11 11 NLE HE2 H 1 0.78 0.02 . 2 . . . . . 11 NLE QE . 27730 1 70 . 1 1 11 11 NLE HE3 H 1 0.78 0.02 . 2 . . . . . 11 NLE QE . 27730 1 71 . 1 1 11 11 NLE HG2 H 1 1.09 0.02 . 2 . . . . . 11 NLE QG . 27730 1 72 . 1 1 11 11 NLE HG3 H 1 1.09 0.02 . 2 . . . . . 11 NLE QG . 27730 1 73 . 1 1 12 12 VAL H H 1 8.38 0.02 . 1 . . . . . 12 VAL H . 27730 1 74 . 1 1 12 12 VAL HA H 1 3.79 0.02 . 1 . . . . . 12 VAL HA . 27730 1 75 . 1 1 12 12 VAL HB H 1 2.39 0.02 . 1 . . . . . 12 VAL HB . 27730 1 76 . 1 1 12 12 VAL HG11 H 1 1.21 0.02 . 2 . . . . . 12 VAL QG1 . 27730 1 77 . 1 1 12 12 VAL HG12 H 1 1.21 0.02 . 2 . . . . . 12 VAL QG1 . 27730 1 78 . 1 1 12 12 VAL HG13 H 1 1.21 0.02 . 2 . . . . . 12 VAL QG1 . 27730 1 79 . 1 1 12 12 VAL HG21 H 1 1.06 0.02 . 2 . . . . . 12 VAL QG2 . 27730 1 80 . 1 1 12 12 VAL HG22 H 1 1.06 0.02 . 2 . . . . . 12 VAL QG2 . 27730 1 81 . 1 1 12 12 VAL HG23 H 1 1.06 0.02 . 2 . . . . . 12 VAL QG2 . 27730 1 82 . 1 1 13 13 ALA H H 1 8.31 0.02 . 1 . . . . . 13 ALA H . 27730 1 83 . 1 1 13 13 ALA HA H 1 3.96 0.02 . 1 . . . . . 13 ALA HA . 27730 1 84 . 1 1 13 13 ALA HB1 H 1 1.49 0.02 . 1 . . . . . 13 ALA HB . 27730 1 85 . 1 1 13 13 ALA HB2 H 1 1.49 0.02 . 1 . . . . . 13 ALA HB . 27730 1 86 . 1 1 13 13 ALA HB3 H 1 1.49 0.02 . 1 . . . . . 13 ALA HB . 27730 1 87 . 1 1 14 14 VAL H H 1 8.57 0.02 . 1 . . . . . 14 VAL H . 27730 1 88 . 1 1 14 14 VAL HA H 1 3.60 0.02 . 1 . . . . . 14 VAL HA . 27730 1 89 . 1 1 14 14 VAL HB H 1 2.27 0.02 . 1 . . . . . 14 VAL HB . 27730 1 90 . 1 1 14 14 VAL HG11 H 1 1.07 0.02 . 2 . . . . . 14 VAL QG1 . 27730 1 91 . 1 1 14 14 VAL HG12 H 1 1.07 0.02 . 2 . . . . . 14 VAL QG1 . 27730 1 92 . 1 1 14 14 VAL HG13 H 1 1.07 0.02 . 2 . . . . . 14 VAL QG1 . 27730 1 93 . 1 1 14 14 VAL HG21 H 1 0.97 0.02 . 2 . . . . . 14 VAL QG2 . 27730 1 94 . 1 1 14 14 VAL HG22 H 1 0.97 0.02 . 2 . . . . . 14 VAL QG2 . 27730 1 95 . 1 1 14 14 VAL HG23 H 1 0.97 0.02 . 2 . . . . . 14 VAL QG2 . 27730 1 96 . 1 1 15 15 ALA H H 1 8.49 0.02 . 1 . . . . . 15 ALA H . 27730 1 97 . 1 1 15 15 ALA HA H 1 4.07 0.02 . 1 . . . . . 15 ALA HA . 27730 1 98 . 1 1 15 15 ALA HB1 H 1 1.55 0.02 . 1 . . . . . 15 ALA HB . 27730 1 99 . 1 1 15 15 ALA HB2 H 1 1.55 0.02 . 1 . . . . . 15 ALA HB . 27730 1 100 . 1 1 15 15 ALA HB3 H 1 1.55 0.02 . 1 . . . . . 15 ALA HB . 27730 1 101 . 1 1 16 16 LEU H H 1 8.73 0.02 . 1 . . . . . 16 LEU H . 27730 1 102 . 1 1 16 16 LEU HA H 1 4.06 0.02 . 1 . . . . . 16 LEU HA . 27730 1 103 . 1 1 16 16 LEU HB2 H 1 2.10 0.02 . 2 . . . . . 16 LEU HB2 . 27730 1 104 . 1 1 16 16 LEU HB3 H 1 2.10 0.02 . 2 . . . . . 16 LEU HB3 . 27730 1 105 . 1 1 16 16 LEU HG H 1 2.05 0.02 . 1 . . . . . 16 LEU HG . 27730 1 106 . 1 1 16 16 LEU HD11 H 1 0.82 0.02 . 2 . . . . . 16 LEU QD1 . 27730 1 107 . 1 1 16 16 LEU HD12 H 1 0.82 0.02 . 2 . . . . . 16 LEU QD1 . 27730 1 108 . 1 1 16 16 LEU HD13 H 1 0.82 0.02 . 2 . . . . . 16 LEU QD1 . 27730 1 109 . 1 1 17 17 TYR H H 1 8.49 0.02 . 1 . . . . . 17 TYR H . 27730 1 110 . 1 1 17 17 TYR HA H 1 4.24 0.02 . 1 . . . . . 17 TYR HA . 27730 1 111 . 1 1 17 17 TYR HB2 H 1 3.27 0.02 . 1 . . . . . 17 TYR HB2 . 27730 1 112 . 1 1 17 17 TYR HB3 H 1 3.07 0.02 . 1 . . . . . 17 TYR HB3 . 27730 1 113 . 1 1 17 17 TYR HD1 H 1 6.95 0.02 . 3 . . . . . 17 TYR HD1 . 27730 1 114 . 1 1 17 17 TYR HD2 H 1 6.95 0.02 . 3 . . . . . 17 TYR HD2 . 27730 1 115 . 1 1 17 17 TYR HE1 H 1 6.79 0.02 . 3 . . . . . 17 TYR HE1 . 27730 1 116 . 1 1 17 17 TYR HE2 H 1 6.79 0.02 . 3 . . . . . 17 TYR HE2 . 27730 1 117 . 1 1 18 18 ALA H H 1 9.19 0.02 . 1 . . . . . 18 ALA H . 27730 1 118 . 1 1 18 18 ALA HA H 1 3.87 0.02 . 1 . . . . . 18 ALA HA . 27730 1 119 . 1 1 18 18 ALA HB1 H 1 1.48 0.02 . 1 . . . . . 18 ALA HB . 27730 1 120 . 1 1 18 18 ALA HB2 H 1 1.48 0.02 . 1 . . . . . 18 ALA HB . 27730 1 121 . 1 1 18 18 ALA HB3 H 1 1.48 0.02 . 1 . . . . . 18 ALA HB . 27730 1 122 . 1 1 19 19 TYR H H 1 8.25 0.02 . 1 . . . . . 19 TYR H . 27730 1 123 . 1 1 19 19 TYR HA H 1 4.07 0.02 . 1 . . . . . 19 TYR HA . 27730 1 124 . 1 1 19 19 TYR HB2 H 1 3.27 0.02 . 1 . . . . . 19 TYR HB2 . 27730 1 125 . 1 1 19 19 TYR HB3 H 1 2.99 0.02 . 1 . . . . . 19 TYR HB3 . 27730 1 126 . 1 1 19 19 TYR HD1 H 1 7.15 0.02 . 3 . . . . . 19 TYR HD1 . 27730 1 127 . 1 1 19 19 TYR HD2 H 1 7.15 0.02 . 3 . . . . . 19 TYR HD2 . 27730 1 128 . 1 1 19 19 TYR HE1 H 1 6.71 0.02 . 3 . . . . . 19 TYR HE1 . 27730 1 129 . 1 1 19 19 TYR HE2 H 1 6.71 0.02 . 3 . . . . . 19 TYR HE2 . 27730 1 130 . 1 1 20 20 GLY H H 1 8.73 0.02 . 1 . . . . . 20 GLY H . 27730 1 131 . 1 1 20 20 GLY HA2 H 1 3.95 0.02 . 2 . . . . . 20 GLY HA2 . 27730 1 132 . 1 1 20 20 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 20 GLY HA3 . 27730 1 133 . 1 1 21 21 LEU H H 1 8.49 0.02 . 1 . . . . . 21 LEU H . 27730 1 134 . 1 1 21 21 LEU HA H 1 3.47 0.02 . 1 . . . . . 21 LEU HA . 27730 1 135 . 1 1 21 21 LEU HG H 1 1.31 0.02 . 1 . . . . . 21 LEU HG . 27730 1 136 . 1 1 22 22 ABA H H 1 8.09 0.02 . 1 . . . . . 22 ABA H . 27730 1 137 . 1 1 22 22 ABA HA H 1 3.86 0.02 . 1 . . . . . 22 ABA HA . 27730 1 138 . 1 1 22 22 ABA HB2 H 1 1.72 0.02 . 2 . . . . . 22 ABA QB . 27730 1 139 . 1 1 22 22 ABA HB3 H 1 1.72 0.02 . 2 . . . . . 22 ABA QB . 27730 1 140 . 1 1 22 22 ABA HG1 H 1 0.80 0.02 . 2 . . . . . 22 ABA QG . 27730 1 141 . 1 1 22 22 ABA HG2 H 1 0.80 0.02 . 2 . . . . . 22 ABA QG . 27730 1 142 . 1 1 22 22 ABA HG3 H 1 0.80 0.02 . 2 . . . . . 22 ABA QG . 27730 1 143 . 1 1 23 23 PHE H H 1 8.00 0.02 . 1 . . . . . 23 PHE H . 27730 1 144 . 1 1 23 23 PHE HA H 1 4.29 0.02 . 1 . . . . . 23 PHE HA . 27730 1 145 . 1 1 23 23 PHE HB2 H 1 3.20 0.02 . 1 . . . . . 23 PHE HB2 . 27730 1 146 . 1 1 23 23 PHE HB3 H 1 3.00 0.02 . 1 . . . . . 23 PHE HB3 . 27730 1 147 . 1 1 23 23 PHE HD1 H 1 7.25 0.02 . 3 . . . . . 23 PHE HD1 . 27730 1 148 . 1 1 23 23 PHE HD2 H 1 7.25 0.02 . 3 . . . . . 23 PHE HD2 . 27730 1 149 . 1 1 23 23 PHE HE1 H 1 7.33 0.02 . 3 . . . . . 23 PHE HE1 . 27730 1 150 . 1 1 23 23 PHE HE2 H 1 7.33 0.02 . 3 . . . . . 23 PHE HE2 . 27730 1 151 . 1 1 24 24 ARG H H 1 7.81 0.02 . 1 . . . . . 24 ARG H . 27730 1 152 . 1 1 24 24 ARG HA H 1 4.15 0.02 . 1 . . . . . 24 ARG HA . 27730 1 153 . 1 1 24 24 ARG HB2 H 1 1.95 0.02 . 2 . . . . . 24 ARG HB2 . 27730 1 154 . 1 1 24 24 ARG HB3 H 1 1.95 0.02 . 2 . . . . . 24 ARG HB3 . 27730 1 155 . 1 1 24 24 ARG HG2 H 1 1.73 0.02 . 1 . . . . . 24 ARG HG2 . 27730 1 156 . 1 1 24 24 ARG HG3 H 1 1.64 0.02 . 1 . . . . . 24 ARG HG3 . 27730 1 157 . 1 1 24 24 ARG HD2 H 1 3.21 0.02 . 2 . . . . . 24 ARG HD2 . 27730 1 158 . 1 1 24 24 ARG HD3 H 1 3.21 0.02 . 2 . . . . . 24 ARG HD3 . 27730 1 159 . 1 1 24 24 ARG HE H 1 7.47 0.02 . 1 . . . . . 24 ARG HE . 27730 1 160 . 1 1 25 25 LEU H H 1 7.98 0.02 . 1 . . . . . 25 LEU H . 27730 1 161 . 1 1 25 25 LEU HA H 1 4.23 0.02 . 1 . . . . . 25 LEU HA . 27730 1 162 . 1 1 25 25 LEU HB2 H 1 1.78 0.02 . 2 . . . . . 25 LEU HB2 . 27730 1 163 . 1 1 25 25 LEU HB3 H 1 1.78 0.02 . 2 . . . . . 25 LEU HB3 . 27730 1 164 . 1 1 25 25 LEU HG H 1 1.62 0.02 . 1 . . . . . 25 LEU HG . 27730 1 165 . 1 1 25 25 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 25 LEU QD1 . 27730 1 166 . 1 1 25 25 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 25 LEU QD1 . 27730 1 167 . 1 1 25 25 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 25 LEU QD1 . 27730 1 168 . 1 1 26 26 NLE H H 1 8.10 0.02 . 1 . . . . . 26 NLE H . 27730 1 169 . 1 1 26 26 NLE HA H 1 3.77 0.02 . 1 . . . . . 26 NLE HA . 27730 1 170 . 1 1 26 26 NLE HB2 H 1 1.72 0.02 . 2 . . . . . 26 NLE QB . 27730 1 171 . 1 1 26 26 NLE HB3 H 1 1.72 0.02 . 2 . . . . . 26 NLE QB . 27730 1 172 . 1 1 26 26 NLE HD2 H 1 1.24 0.02 . 2 . . . . . 26 NLE QD . 27730 1 173 . 1 1 26 26 NLE HD3 H 1 1.24 0.02 . 2 . . . . . 26 NLE QD . 27730 1 174 . 1 1 26 26 NLE HE1 H 1 0.81 0.02 . 2 . . . . . 26 NLE QE . 27730 1 175 . 1 1 26 26 NLE HE2 H 1 0.81 0.02 . 2 . . . . . 26 NLE QE . 27730 1 176 . 1 1 26 26 NLE HE3 H 1 0.81 0.02 . 2 . . . . . 26 NLE QE . 27730 1 177 . 1 1 26 26 NLE HG2 H 1 1.56 0.02 . 2 . . . . . 26 NLE QG . 27730 1 178 . 1 1 26 26 NLE HG3 H 1 1.56 0.02 . 2 . . . . . 26 NLE QG . 27730 1 179 . 1 1 27 27 GLY H H 1 7.99 0.02 . 1 . . . . . 27 GLY H . 27730 1 180 . 1 1 27 27 GLY HA2 H 1 3.94 0.02 . 1 . . . . . 27 GLY HA2 . 27730 1 181 . 1 1 27 27 GLY HA3 H 1 3.90 0.02 . 1 . . . . . 27 GLY HA3 . 27730 1 182 . 1 1 28 28 ALA H H 1 8.05 0.02 . 1 . . . . . 28 ALA H . 27730 1 183 . 1 1 28 28 ALA HA H 1 4.39 0.02 . 1 . . . . . 28 ALA HA . 27730 1 184 . 1 1 28 28 ALA HB1 H 1 1.41 0.02 . 1 . . . . . 28 ALA HB . 27730 1 185 . 1 1 28 28 ALA HB2 H 1 1.41 0.02 . 1 . . . . . 28 ALA HB . 27730 1 186 . 1 1 28 28 ALA HB3 H 1 1.41 0.02 . 1 . . . . . 28 ALA HB . 27730 1 187 . 1 1 29 29 SER H H 1 8.26 0.02 . 1 . . . . . 29 SER H . 27730 1 188 . 1 1 29 29 SER HA H 1 4.49 0.02 . 1 . . . . . 29 SER HA . 27730 1 189 . 1 1 29 29 SER HB2 H 1 3.89 0.02 . 2 . . . . . 29 SER HB2 . 27730 1 190 . 1 1 29 29 SER HB3 H 1 3.89 0.02 . 2 . . . . . 29 SER HB3 . 27730 1 191 . 1 1 30 30 GLY H H 1 8.23 0.02 . 1 . . . . . 30 GLY H . 27730 1 192 . 1 1 30 30 GLY HA2 H 1 4.10 0.02 . 2 . . . . . 30 GLY HA2 . 27730 1 193 . 1 1 30 30 GLY HA3 H 1 4.10 0.02 . 2 . . . . . 30 GLY HA3 . 27730 1 194 . 1 1 31 31 PRO HA H 1 4.44 0.02 . 1 . . . . . 31 PRO HA . 27730 1 195 . 1 1 31 31 PRO HB2 H 1 2.27 0.02 . 2 . . . . . 31 PRO HB2 . 27730 1 196 . 1 1 31 31 PRO HB3 H 1 2.27 0.02 . 2 . . . . . 31 PRO HB3 . 27730 1 197 . 1 1 31 31 PRO HG2 H 1 2.01 0.02 . 1 . . . . . 31 PRO HG2 . 27730 1 198 . 1 1 31 31 PRO HG3 H 1 1.94 0.02 . 1 . . . . . 31 PRO HG3 . 27730 1 199 . 1 1 31 31 PRO HD2 H 1 3.65 0.02 . 1 . . . . . 31 PRO HD2 . 27730 1 200 . 1 1 31 31 PRO HD3 H 1 3.61 0.02 . 1 . . . . . 31 PRO HD3 . 27730 1 201 . 1 1 32 32 ASN H H 1 8.49 0.02 . 1 . . . . . 32 ASN H . 27730 1 202 . 1 1 32 32 ASN HA H 1 4.68 0.02 . 1 . . . . . 32 ASN HA . 27730 1 203 . 1 1 32 32 ASN HB2 H 1 2.84 0.02 . 1 . . . . . 32 ASN HB2 . 27730 1 204 . 1 1 32 32 ASN HB3 H 1 2.78 0.02 . 1 . . . . . 32 ASN HB3 . 27730 1 205 . 1 1 32 32 ASN HD21 H 1 7.62 0.02 . 1 . . . . . 32 ASN HD21 . 27730 1 206 . 1 1 32 32 ASN HD22 H 1 6.94 0.02 . 1 . . . . . 32 ASN HD22 . 27730 1 207 . 1 1 33 33 LYS H H 1 8.24 0.02 . 1 . . . . . 33 LYS H . 27730 1 208 . 1 1 33 33 LYS HA H 1 4.28 0.02 . 1 . . . . . 33 LYS HA . 27730 1 209 . 1 1 33 33 LYS HB2 H 1 1.86 0.02 . 2 . . . . . 33 LYS HB2 . 27730 1 210 . 1 1 33 33 LYS HB3 H 1 1.86 0.02 . 2 . . . . . 33 LYS HB3 . 27730 1 211 . 1 1 33 33 LYS HG2 H 1 1.76 0.02 . 1 . . . . . 33 LYS HG2 . 27730 1 212 . 1 1 33 33 LYS HG3 H 1 1.69 0.02 . 1 . . . . . 33 LYS HG3 . 27730 1 213 . 1 1 33 33 LYS HD2 H 1 1.45 0.02 . 1 . . . . . 33 LYS HD2 . 27730 1 214 . 1 1 33 33 LYS HD3 H 1 1.41 0.02 . 1 . . . . . 33 LYS HD3 . 27730 1 215 . 1 1 34 34 LYS H H 1 8.30 0.02 . 1 . . . . . 34 LYS H . 27730 1 216 . 1 1 34 34 LYS HA H 1 4.29 0.02 . 1 . . . . . 34 LYS HA . 27730 1 217 . 1 1 34 34 LYS HB2 H 1 1.84 0.02 . 2 . . . . . 34 LYS HB2 . 27730 1 218 . 1 1 34 34 LYS HB3 H 1 1.84 0.02 . 2 . . . . . 34 LYS HB3 . 27730 1 219 . 1 1 34 34 LYS HG2 H 1 1.77 0.02 . 1 . . . . . 34 LYS HG2 . 27730 1 220 . 1 1 34 34 LYS HG3 H 1 1.69 0.02 . 1 . . . . . 34 LYS HG3 . 27730 1 221 . 1 1 34 34 LYS HD2 H 1 1.46 0.02 . 1 . . . . . 34 LYS HD2 . 27730 1 222 . 1 1 34 34 LYS HD3 H 1 1.40 0.02 . 1 . . . . . 34 LYS HD3 . 27730 1 223 . 1 1 34 34 LYS HE2 H 1 3.00 0.02 . 2 . . . . . 34 LYS QE . 27730 1 224 . 1 1 34 34 LYS HE3 H 1 3.00 0.02 . 2 . . . . . 34 LYS QE . 27730 1 225 . 1 1 35 35 GLU H H 1 8.34 0.02 . 1 . . . . . 35 GLU H . 27730 1 226 . 1 1 35 35 GLU HA H 1 4.38 0.02 . 1 . . . . . 35 GLU HA . 27730 1 227 . 1 1 35 35 GLU HB2 H 1 2.10 0.02 . 1 . . . . . 35 GLU HB2 . 27730 1 228 . 1 1 35 35 GLU HB3 H 1 1.98 0.02 . 1 . . . . . 35 GLU HB3 . 27730 1 229 . 1 1 35 35 GLU HG2 H 1 2.39 0.02 . 2 . . . . . 35 GLU HG2 . 27730 1 230 . 1 1 35 35 GLU HG3 H 1 2.39 0.02 . 2 . . . . . 35 GLU HG3 . 27730 1 231 . 1 1 36 36 SER H H 1 8.35 0.02 . 1 . . . . . 36 SER H . 27730 1 232 . 1 1 36 36 SER HA H 1 4.46 0.02 . 1 . . . . . 36 SER HA . 27730 1 233 . 1 1 36 36 SER HB2 H 1 3.87 0.02 . 2 . . . . . 36 SER HB2 . 27730 1 234 . 1 1 36 36 SER HB3 H 1 3.87 0.02 . 2 . . . . . 36 SER HB3 . 27730 1 235 . 1 1 37 37 ARG H H 1 8.42 0.02 . 1 . . . . . 37 ARG H . 27730 1 236 . 1 1 37 37 ARG HA H 1 4.38 0.02 . 1 . . . . . 37 ARG HA . 27730 1 237 . 1 1 37 37 ARG HB2 H 1 1.91 0.02 . 1 . . . . . 37 ARG HB2 . 27730 1 238 . 1 1 37 37 ARG HB3 H 1 1.80 0.02 . 1 . . . . . 37 ARG HB3 . 27730 1 239 . 1 1 37 37 ARG HG2 H 1 1.68 0.02 . 2 . . . . . 37 ARG HG2 . 27730 1 240 . 1 1 37 37 ARG HG3 H 1 1.68 0.02 . 2 . . . . . 37 ARG HG3 . 27730 1 241 . 1 1 37 37 ARG HD2 H 1 3.21 0.02 . 2 . . . . . 37 ARG HD2 . 27730 1 242 . 1 1 37 37 ARG HD3 H 1 3.21 0.02 . 2 . . . . . 37 ARG HD3 . 27730 1 243 . 1 1 38 38 GLY H H 1 8.42 0.02 . 1 . . . . . 38 GLY H . 27730 1 244 . 1 1 38 38 GLY HA2 H 1 3.98 0.02 . 2 . . . . . 38 GLY HA2 . 27730 1 245 . 1 1 38 38 GLY HA3 H 1 3.98 0.02 . 2 . . . . . 38 GLY HA3 . 27730 1 246 . 1 1 39 39 ARG H H 1 8.34 0.02 . 1 . . . . . 39 ARG H . 27730 1 247 . 1 1 39 39 ARG HA H 1 4.34 0.02 . 1 . . . . . 39 ARG HA . 27730 1 248 . 1 1 39 39 ARG HB2 H 1 1.91 0.02 . 1 . . . . . 39 ARG HB2 . 27730 1 249 . 1 1 39 39 ARG HB3 H 1 1.79 0.02 . 1 . . . . . 39 ARG HB3 . 27730 1 250 . 1 1 39 39 ARG HG2 H 1 1.67 0.02 . 2 . . . . . 39 ARG HG2 . 27730 1 251 . 1 1 39 39 ARG HG3 H 1 1.67 0.02 . 2 . . . . . 39 ARG HG3 . 27730 1 252 . 1 1 39 39 ARG HD2 H 1 3.22 0.02 . 2 . . . . . 39 ARG HD2 . 27730 1 253 . 1 1 39 39 ARG HD3 H 1 3.22 0.02 . 2 . . . . . 39 ARG HD3 . 27730 1 254 . 1 1 40 40 GLY H H 1 8.48 0.02 . 1 . . . . . 40 GLY H . 27730 1 255 . 1 1 40 40 GLY HA2 H 1 3.92 0.02 . 2 . . . . . 40 GLY HA2 . 27730 1 256 . 1 1 40 40 GLY HA3 H 1 3.92 0.02 . 2 . . . . . 40 GLY HA3 . 27730 1 stop_ save_