################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7049 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _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 . _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 DQF-COSY 2 $5.0mM isotropic 7049 1 2 TOCSY 1 $2.5mM isotropic 7049 1 3 NOESY 1 $2.5mM isotropic 7049 1 4 HSQC-NOESY 1 $2.5mM isotropic 7049 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 LYS H H 1 8.31 0.01 . 1 . . . . 773 LYS HN . 7049 1 2 . 1 1 1 1 LYS HA H 1 4.34 0.01 . 1 . . . . 773 LYS HA . 7049 1 3 . 1 1 1 1 LYS HB2 H 1 2.04 0.01 . 1 . . . . 773 LYS HB2 . 7049 1 4 . 1 1 1 1 LYS HB3 H 1 2.04 0.01 . 1 . . . . 773 LYS HB3 . 7049 1 5 . 1 1 1 1 LYS HG2 H 1 1.78 0.01 . 2 . . . . 773 LYS HG2 . 7049 1 6 . 1 1 1 1 LYS HG3 H 1 1.68 0.01 . 2 . . . . 773 LYS HG3 . 7049 1 7 . 1 1 1 1 LYS HD2 H 1 1.95 0.01 . 1 . . . . 773 LYS HD2 . 7049 1 8 . 1 1 1 1 LYS HD3 H 1 1.95 0.01 . 1 . . . . 773 LYS HD3 . 7049 1 9 . 1 1 1 1 LYS HE2 H 1 3.26 0.01 . 1 . . . . 773 LYS HE2 . 7049 1 10 . 1 1 1 1 LYS HE3 H 1 3.26 0.01 . 1 . . . . 773 LYS HE3 . 7049 1 11 . 1 1 2 2 LYS H H 1 8.41 0.01 . 1 . . . . 774 LYS HN . 7049 1 12 . 1 1 2 2 LYS HA H 1 4.40 0.01 . 1 . . . . 774 LYS HA . 7049 1 13 . 1 1 2 2 LYS HB2 H 1 2.08 0.01 . 1 . . . . 774 LYS HB2 . 7049 1 14 . 1 1 2 2 LYS HB3 H 1 2.08 0.01 . 1 . . . . 774 LYS HB3 . 7049 1 15 . 1 1 2 2 LYS HG2 H 1 1.73 0.01 . 2 . . . . 774 LYS HG2 . 7049 1 16 . 1 1 2 2 LYS HG3 H 1 1.65 0.01 . 2 . . . . 774 LYS HG3 . 7049 1 17 . 1 1 2 2 LYS HD2 H 1 1.94 0.01 . 1 . . . . 774 LYS HD2 . 7049 1 18 . 1 1 2 2 LYS HD3 H 1 1.94 0.01 . 1 . . . . 774 LYS HD3 . 7049 1 19 . 1 1 2 2 LYS HE2 H 1 3.23 0.01 . 1 . . . . 774 LYS HE2 . 7049 1 20 . 1 1 2 2 LYS HE3 H 1 3.23 0.01 . 1 . . . . 774 LYS HE3 . 7049 1 21 . 1 1 3 3 SER H H 1 8.02 0.01 . 1 . . . . 775 SER HN . 7049 1 22 . 1 1 3 3 SER HA H 1 4.53 0.01 . 1 . . . . 775 SER HA . 7049 1 23 . 1 1 3 3 SER HB2 H 1 4.05 0.01 . 2 . . . . 775 SER HB2 . 7049 1 24 . 1 1 3 3 SER HB3 H 1 3.91 0.01 . 2 . . . . 775 SER HB3 . 7049 1 25 . 1 1 4 4 ILE H H 1 8.31 0.01 . 1 . . . . 776 ILE HN . 7049 1 26 . 1 1 4 4 ILE HA H 1 4.19 0.01 . 1 . . . . 776 ILE HA . 7049 1 27 . 1 1 4 4 ILE HB H 1 2.22 0.01 . 1 . . . . 776 ILE HB . 7049 1 28 . 1 1 4 4 ILE HG21 H 1 1.17 0.01 . 1 . . . . 776 ILE HG2 . 7049 1 29 . 1 1 4 4 ILE HG22 H 1 1.17 0.01 . 1 . . . . 776 ILE HG2 . 7049 1 30 . 1 1 4 4 ILE HG23 H 1 1.17 0.01 . 1 . . . . 776 ILE HG2 . 7049 1 31 . 1 1 5 5 ALA H H 1 8.31 0.01 . 1 . . . . 777 ALA HN . 7049 1 32 . 1 1 5 5 ALA HA H 1 4.26 0.01 . 1 . . . . 777 ALA HA . 7049 1 33 . 1 1 5 5 ALA HB1 H 1 1.67 0.01 . 1 . . . . 777 ALA HB3 . 7049 1 34 . 1 1 5 5 ALA HB2 H 1 1.67 0.01 . 1 . . . . 777 ALA HB3 . 7049 1 35 . 1 1 5 5 ALA HB3 H 1 1.67 0.01 . 1 . . . . 777 ALA HB3 . 7049 1 36 . 1 1 5 5 ALA N N 15 122.46 0.01 . 1 . . . . 777 ALA N . 7049 1 37 . 1 1 6 6 TYR H H 1 8.20 0.01 . 1 . . . . 778 TYR HN . 7049 1 38 . 1 1 6 6 TYR HA H 1 4.54 0.01 . 1 . . . . 778 TYR HA . 7049 1 39 . 1 1 6 6 TYR HB2 H 1 3.37 0.01 . 2 . . . . 778 TYR HB2 . 7049 1 40 . 1 1 6 6 TYR HB3 H 1 3.33 0.01 . 2 . . . . 778 TYR HB3 . 7049 1 41 . 1 1 6 6 TYR HD1 H 1 7.34 0.01 . 1 . . . . 778 TYR HD1 . 7049 1 42 . 1 1 6 6 TYR HD2 H 1 7.34 0.01 . 1 . . . . 778 TYR HD2 . 7049 1 43 . 1 1 6 6 TYR HE1 H 1 7.05 0.01 . 1 . . . . 778 TYR HE1 . 7049 1 44 . 1 1 6 6 TYR HE2 H 1 7.05 0.01 . 1 . . . . 778 TYR HE2 . 7049 1 45 . 1 1 7 7 THR H H 1 8.31 0.01 . 1 . . . . 779 THR HN . 7049 1 46 . 1 1 7 7 THR HA H 1 4.14 0.01 . 1 . . . . 779 THR HA . 7049 1 47 . 1 1 7 7 THR HB H 1 4.52 0.01 . 1 . . . . 779 THR HB . 7049 1 48 . 1 1 7 7 THR HG21 H 1 1.46 0.01 . 1 . . . . 779 THR HG2 . 7049 1 49 . 1 1 7 7 THR HG22 H 1 1.46 0.01 . 1 . . . . 779 THR HG2 . 7049 1 50 . 1 1 7 7 THR HG23 H 1 1.46 0.01 . 1 . . . . 779 THR HG2 . 7049 1 51 . 1 1 8 8 LEU H H 1 8.34 0.01 . 1 . . . . 780 LEU HN . 7049 1 52 . 1 1 8 8 LEU HA H 1 4.39 0.01 . 1 . . . . 780 LEU HA . 7049 1 53 . 1 1 8 8 LEU HB2 H 1 2.09 0.01 . 2 . . . . 780 LEU HB2 . 7049 1 54 . 1 1 8 8 LEU HB3 H 1 2.07 0.01 . 2 . . . . 780 LEU HB3 . 7049 1 55 . 1 1 8 8 LEU HG H 1 1.82 0.01 . 1 . . . . 780 LEU HG . 7049 1 56 . 1 1 8 8 LEU N N 15 121.06 0.01 . 1 . . . . 780 LEU N . 7049 1 57 . 1 1 9 9 THR H H 1 8.14 0.01 . 1 . . . . 781 THR HN . 7049 1 58 . 1 1 9 9 THR HA H 1 4.40 0.01 . 1 . . . . 781 THR HA . 7049 1 59 . 1 1 10 10 SER H H 1 8.02 0.01 . 1 . . . . 782 SER HN . 7049 1 60 . 1 1 10 10 SER HA H 1 4.26 0.01 . 1 . . . . 782 SER HA . 7049 1 61 . 1 1 11 11 ASN H H 1 7.92 0.01 . 1 . . . . 783 ASN HN . 7049 1 62 . 1 1 11 11 ASN HA H 1 5.15 0.01 . 1 . . . . 783 ASN HA . 7049 1 63 . 1 1 11 11 ASN HB2 H 1 2.86 0.01 . 2 . . . . 783 ASN HB2 . 7049 1 64 . 1 1 11 11 ASN HB3 H 1 3.09 0.01 . 2 . . . . 783 ASN HB3 . 7049 1 65 . 1 1 11 11 ASN HD21 H 1 7.84 0.01 . 1 . . . . 783 ASN HD21 . 7049 1 66 . 1 1 11 11 ASN HD22 H 1 7.10 0.01 . 1 . . . . 783 ASN HD22 . 7049 1 67 . 1 1 12 12 ILE H H 1 7.93 0.01 . 1 . . . . 784 ILE HN . 7049 1 68 . 1 1 12 12 ILE HA H 1 4.50 0.01 . 1 . . . . 784 ILE HA . 7049 1 69 . 1 1 12 12 ILE HB H 1 2.26 0.01 . 1 . . . . 784 ILE HB . 7049 1 70 . 1 1 12 12 ILE HG12 H 1 1.43 0.01 . 2 . . . . 784 ILE HG12 . 7049 1 71 . 1 1 12 12 ILE HG13 H 1 1.95 0.01 . 2 . . . . 784 ILE HG13 . 7049 1 72 . 1 1 12 12 ILE HG21 H 1 1.20 0.01 . 1 . . . . 784 ILE HG2 . 7049 1 73 . 1 1 12 12 ILE HG22 H 1 1.20 0.01 . 1 . . . . 784 ILE HG2 . 7049 1 74 . 1 1 12 12 ILE HG23 H 1 1.20 0.01 . 1 . . . . 784 ILE HG2 . 7049 1 75 . 1 1 12 12 ILE HD11 H 1 1.10 0.01 . 1 . . . . 784 ILE HD1 . 7049 1 76 . 1 1 12 12 ILE HD12 H 1 1.10 0.01 . 1 . . . . 784 ILE HD1 . 7049 1 77 . 1 1 12 12 ILE HD13 H 1 1.10 0.01 . 1 . . . . 784 ILE HD1 . 7049 1 78 . 1 1 13 13 PRO HB2 H 1 2.64 0.01 . 2 . . . . 785 PRO HB2 . 7049 1 79 . 1 1 13 13 PRO HG2 H 1 2.14 0.01 . 2 . . . . 785 PRO HG2 . 7049 1 80 . 1 1 13 13 PRO HG3 H 1 2.23 0.01 . 2 . . . . 785 PRO HG3 . 7049 1 81 . 1 1 13 13 PRO HD2 H 1 3.84 0.01 . 2 . . . . 785 PRO HD2 . 7049 1 82 . 1 1 13 13 PRO HD3 H 1 4.04 0.01 . 2 . . . . 785 PRO HD3 . 7049 1 83 . 1 1 14 14 GLU H H 1 8.24 0.01 . 1 . . . . 786 GLU HN . 7049 1 84 . 1 1 14 14 GLU HA H 1 4.55 0.01 . 1 . . . . 786 GLU HA . 7049 1 85 . 1 1 14 14 GLU HB2 H 1 2.35 0.01 . 2 . . . . 786 GLU HB2 . 7049 1 86 . 1 1 14 14 GLU HB3 H 1 2.28 0.01 . 2 . . . . 786 GLU HB3 . 7049 1 87 . 1 1 14 14 GLU HG2 H 1 2.61 0.01 . 1 . . . . 786 GLU HG2 . 7049 1 88 . 1 1 14 14 GLU HG3 H 1 2.61 0.01 . 1 . . . . 786 GLU HG3 . 7049 1 89 . 1 1 15 15 ILE H H 1 8.19 0.01 . 1 . . . . 787 ILE HN . 7049 1 90 . 1 1 15 15 ILE HA H 1 4.65 0.01 . 1 . . . . 787 ILE HA . 7049 1 91 . 1 1 15 15 ILE HB H 1 2.32 0.01 . 1 . . . . 787 ILE HB . 7049 1 92 . 1 1 15 15 ILE HG12 H 1 1.83 0.01 . 2 . . . . 787 ILE HG12 . 7049 1 93 . 1 1 15 15 ILE HG13 H 1 1.63 0.01 . 2 . . . . 787 ILE HG13 . 7049 1 94 . 1 1 15 15 ILE HG21 H 1 1.23 0.01 . 1 . . . . 787 ILE HG2 . 7049 1 95 . 1 1 15 15 ILE HG22 H 1 1.23 0.01 . 1 . . . . 787 ILE HG2 . 7049 1 96 . 1 1 15 15 ILE HG23 H 1 1.23 0.01 . 1 . . . . 787 ILE HG2 . 7049 1 97 . 1 1 15 15 ILE HD11 H 1 1.13 0.01 . 1 . . . . 787 ILE HD1 . 7049 1 98 . 1 1 15 15 ILE HD12 H 1 1.13 0.01 . 1 . . . . 787 ILE HD1 . 7049 1 99 . 1 1 15 15 ILE HD13 H 1 1.13 0.01 . 1 . . . . 787 ILE HD1 . 7049 1 100 . 1 1 16 16 THR H H 1 8.15 0.01 . 1 . . . . 788 THR HN . 7049 1 101 . 1 1 16 16 THR HA H 1 4.58 0.01 . 1 . . . . 788 THR HA . 7049 1 102 . 1 1 16 16 THR HB H 1 4.28 0.01 . 1 . . . . 788 THR HB . 7049 1 103 . 1 1 16 16 THR HG21 H 1 1.53 0.01 . 1 . . . . 788 THR HG2 . 7049 1 104 . 1 1 16 16 THR HG22 H 1 1.53 0.01 . 1 . . . . 788 THR HG2 . 7049 1 105 . 1 1 16 16 THR HG23 H 1 1.53 0.01 . 1 . . . . 788 THR HG2 . 7049 1 106 . 1 1 17 17 PRO HA H 1 4.49 0.01 . 1 . . . . 789 PRO HA . 7049 1 107 . 1 1 17 17 PRO HB2 H 1 2.54 0.01 . 2 . . . . 789 PRO HB2 . 7049 1 108 . 1 1 17 17 PRO HB3 H 1 1.88 0.01 . 2 . . . . 789 PRO HB3 . 7049 1 109 . 1 1 17 17 PRO HG2 H 1 2.16 0.01 . 2 . . . . 789 PRO HG2 . 7049 1 110 . 1 1 17 17 PRO HG3 H 1 2.23 0.01 . 2 . . . . 789 PRO HG3 . 7049 1 111 . 1 1 17 17 PRO HD2 H 1 4.00 0.01 . 2 . . . . 789 PRO HD2 . 7049 1 112 . 1 1 17 17 PRO HD3 H 1 3.85 0.01 . 2 . . . . 789 PRO HD3 . 7049 1 113 . 1 1 18 18 PHE H H 1 7.71 0.01 . 1 . . . . 790 PHE HN . 7049 1 114 . 1 1 18 18 PHE HA H 1 4.65 0.01 . 1 . . . . 790 PHE HA . 7049 1 115 . 1 1 18 18 PHE HB2 H 1 3.43 0.01 . 2 . . . . 790 PHE HB2 . 7049 1 116 . 1 1 18 18 PHE HB3 H 1 3.52 0.01 . 2 . . . . 790 PHE HB3 . 7049 1 117 . 1 1 18 18 PHE HD1 H 1 7.46 0.01 . 1 . . . . 790 PHE HD1 . 7049 1 118 . 1 1 18 18 PHE HD2 H 1 7.46 0.01 . 1 . . . . 790 PHE HD2 . 7049 1 119 . 1 1 18 18 PHE HE1 H 1 7.52 0.01 . 1 . . . . 790 PHE HE1 . 7049 1 120 . 1 1 18 18 PHE HE2 H 1 7.52 0.01 . 1 . . . . 790 PHE HE2 . 7049 1 121 . 1 1 19 19 LEU H H 1 8.08 0.01 . 1 . . . . 791 LEU HN . 7049 1 122 . 1 1 19 19 LEU HA H 1 4.27 0.01 . 1 . . . . 791 LEU HA . 7049 1 123 . 1 1 19 19 LEU HB2 H 1 2.12 0.01 . 2 . . . . 791 LEU HB2 . 7049 1 124 . 1 1 19 19 LEU HB3 H 1 2.18 0.01 . 2 . . . . 791 LEU HB3 . 7049 1 125 . 1 1 19 19 LEU HG H 1 1.82 0.01 . 1 . . . . 791 LEU HG . 7049 1 126 . 1 1 19 19 LEU HD11 H 1 1.13 0.01 . 1 . . . . 791 LEU HD1 . 7049 1 127 . 1 1 19 19 LEU HD12 H 1 1.13 0.01 . 1 . . . . 791 LEU HD1 . 7049 1 128 . 1 1 19 19 LEU HD13 H 1 1.13 0.01 . 1 . . . . 791 LEU HD1 . 7049 1 129 . 1 1 19 19 LEU HD21 H 1 1.19 0.01 . 1 . . . . 791 LEU HD2 . 7049 1 130 . 1 1 19 19 LEU HD22 H 1 1.19 0.01 . 1 . . . . 791 LEU HD2 . 7049 1 131 . 1 1 19 19 LEU HD23 H 1 1.19 0.01 . 1 . . . . 791 LEU HD2 . 7049 1 132 . 1 1 19 19 LEU N N 15 118.51 0.01 . 1 . . . . 791 LEU N . 7049 1 133 . 1 1 20 20 ILE H H 1 8.31 0.01 . 1 . . . . 792 ILE HN . 7049 1 134 . 1 1 20 20 ILE HA H 1 3.87 0.01 . 1 . . . . 792 ILE HA . 7049 1 135 . 1 1 20 20 ILE HB H 1 2.14 0.01 . 1 . . . . 792 ILE HB . 7049 1 136 . 1 1 20 20 ILE HG12 H 1 1.88 0.01 . 2 . . . . 792 ILE HG12 . 7049 1 137 . 1 1 20 20 ILE HG13 H 1 1.46 0.01 . 2 . . . . 792 ILE HG13 . 7049 1 138 . 1 1 20 20 ILE HG21 H 1 1.15 0.01 . 1 . . . . 792 ILE HG2 . 7049 1 139 . 1 1 20 20 ILE HG22 H 1 1.15 0.01 . 1 . . . . 792 ILE HG2 . 7049 1 140 . 1 1 20 20 ILE HG23 H 1 1.15 0.01 . 1 . . . . 792 ILE HG2 . 7049 1 141 . 1 1 20 20 ILE HD11 H 1 1.06 0.01 . 1 . . . . 792 ILE HD1 . 7049 1 142 . 1 1 20 20 ILE HD12 H 1 1.06 0.01 . 1 . . . . 792 ILE HD1 . 7049 1 143 . 1 1 20 20 ILE HD13 H 1 1.06 0.01 . 1 . . . . 792 ILE HD1 . 7049 1 144 . 1 1 21 21 PHE H H 1 7.83 0.01 . 1 . . . . 793 PHE HN . 7049 1 145 . 1 1 21 21 PHE HA H 1 4.42 0.01 . 1 . . . . 793 PHE HA . 7049 1 146 . 1 1 21 21 PHE HB2 H 1 3.54 0.01 . 2 . . . . 793 PHE HB2 . 7049 1 147 . 1 1 21 21 PHE HB3 H 1 3.47 0.01 . 2 . . . . 793 PHE HB3 . 7049 1 148 . 1 1 21 21 PHE HD1 H 1 7.39 0.01 . 1 . . . . 793 PHE HD1 . 7049 1 149 . 1 1 21 21 PHE HD2 H 1 7.39 0.01 . 1 . . . . 793 PHE HD2 . 7049 1 150 . 1 1 21 21 PHE HE1 H 1 7.50 0.01 . 1 . . . . 793 PHE HE1 . 7049 1 151 . 1 1 21 21 PHE HE2 H 1 7.50 0.01 . 1 . . . . 793 PHE HE2 . 7049 1 152 . 1 1 22 22 ILE H H 1 8.21 0.01 . 1 . . . . 794 ILE HN . 7049 1 153 . 1 1 22 22 ILE HA H 1 3.74 0.01 . 1 . . . . 794 ILE HA . 7049 1 154 . 1 1 22 22 ILE HB H 1 2.25 0.01 . 1 . . . . 794 ILE HB . 7049 1 155 . 1 1 22 22 ILE HG12 H 1 1.95 0.01 . 1 . . . . 794 ILE HG12 . 7049 1 156 . 1 1 22 22 ILE HG13 H 1 1.39 0.01 . 1 . . . . 794 ILE HG13 . 7049 1 157 . 1 1 22 22 ILE HG21 H 1 1.07 0.01 . 1 . . . . 794 ILE HG2 . 7049 1 158 . 1 1 22 22 ILE HG22 H 1 1.07 0.01 . 1 . . . . 794 ILE HG2 . 7049 1 159 . 1 1 22 22 ILE HG23 H 1 1.07 0.01 . 1 . . . . 794 ILE HG2 . 7049 1 160 . 1 1 22 22 ILE HD11 H 1 1.02 0.01 . 1 . . . . 794 ILE HD1 . 7049 1 161 . 1 1 22 22 ILE HD12 H 1 1.02 0.01 . 1 . . . . 794 ILE HD1 . 7049 1 162 . 1 1 22 22 ILE HD13 H 1 1.02 0.01 . 1 . . . . 794 ILE HD1 . 7049 1 163 . 1 1 23 23 ILE H H 1 8.31 0.01 . 1 . . . . 795 ILE HN . 7049 1 164 . 1 1 23 23 ILE HA H 1 3.90 0.01 . 1 . . . . 795 ILE HA . 7049 1 165 . 1 1 23 23 ILE HB H 1 2.15 0.01 . 1 . . . . 795 ILE HB . 7049 1 166 . 1 1 23 23 ILE HG12 H 1 1.94 0.01 . 2 . . . . 795 ILE HG12 . 7049 1 167 . 1 1 23 23 ILE HG13 H 1 1.46 0.01 . 2 . . . . 795 ILE HG13 . 7049 1 168 . 1 1 23 23 ILE HG21 H 1 1.17 0.01 . 1 . . . . 795 ILE HG2 . 7049 1 169 . 1 1 23 23 ILE HG22 H 1 1.17 0.01 . 1 . . . . 795 ILE HG2 . 7049 1 170 . 1 1 23 23 ILE HG23 H 1 1.17 0.01 . 1 . . . . 795 ILE HG2 . 7049 1 171 . 1 1 23 23 ILE HD11 H 1 1.07 0.01 . 1 . . . . 795 ILE HD1 . 7049 1 172 . 1 1 23 23 ILE HD12 H 1 1.07 0.01 . 1 . . . . 795 ILE HD1 . 7049 1 173 . 1 1 23 23 ILE HD13 H 1 1.07 0.01 . 1 . . . . 795 ILE HD1 . 7049 1 174 . 1 1 24 24 ALA H H 1 8.24 0.01 . 1 . . . . 796 ALA HN . 7049 1 175 . 1 1 24 24 ALA HA H 1 4.37 0.01 . 1 . . . . 796 ALA HA . 7049 1 176 . 1 1 24 24 ALA HB1 H 1 1.61 0.01 . 1 . . . . 796 ALA HB . 7049 1 177 . 1 1 24 24 ALA HB2 H 1 1.61 0.01 . 1 . . . . 796 ALA HB . 7049 1 178 . 1 1 24 24 ALA HB3 H 1 1.61 0.01 . 1 . . . . 796 ALA HB . 7049 1 179 . 1 1 24 24 ALA N N 15 119.34 0.01 . 1 . . . . 796 ALA N . 7049 1 180 . 1 1 25 25 ASN H H 1 7.70 0.01 . 1 . . . . 797 ASN HN . 7049 1 181 . 1 1 25 25 ASN HA H 1 4.91 0.01 . 1 . . . . 797 ASN HA . 7049 1 182 . 1 1 25 25 ASN HB2 H 1 2.82 0.01 . 2 . . . . 797 ASN HB2 . 7049 1 183 . 1 1 25 25 ASN HB3 H 1 2.46 0.01 . 2 . . . . 797 ASN HB3 . 7049 1 184 . 1 1 25 25 ASN HD21 H 1 7.26 0.01 . 1 . . . . 797 ASN HD21 . 7049 1 185 . 1 1 25 25 ASN HD22 H 1 6.57 0.01 . 1 . . . . 797 ASN HD22 . 7049 1 186 . 1 1 26 26 ILE H H 1 7.85 0.01 . 1 . . . . 798 ILE HN . 7049 1 187 . 1 1 26 26 ILE HA H 1 4.61 0.01 . 1 . . . . 798 ILE HA . 7049 1 188 . 1 1 26 26 ILE HB H 1 2.25 0.01 . 1 . . . . 798 ILE HB . 7049 1 189 . 1 1 26 26 ILE HG12 H 1 1.94 0.01 . 2 . . . . 798 ILE HG12 . 7049 1 190 . 1 1 26 26 ILE HG13 H 1 1.55 0.01 . 2 . . . . 798 ILE HG13 . 7049 1 191 . 1 1 26 26 ILE HG21 H 1 1.19 0.01 . 1 . . . . 798 ILE HG2 . 7049 1 192 . 1 1 26 26 ILE HG22 H 1 1.19 0.01 . 1 . . . . 798 ILE HG2 . 7049 1 193 . 1 1 26 26 ILE HG23 H 1 1.19 0.01 . 1 . . . . 798 ILE HG2 . 7049 1 194 . 1 1 26 26 ILE HD11 H 1 1.09 0.01 . 1 . . . . 798 ILE HD1 . 7049 1 195 . 1 1 26 26 ILE HD12 H 1 1.09 0.01 . 1 . . . . 798 ILE HD1 . 7049 1 196 . 1 1 26 26 ILE HD13 H 1 1.09 0.01 . 1 . . . . 798 ILE HD1 . 7049 1 197 . 1 1 27 27 PRO HA H 1 4.83 0.01 . 1 . . . . 799 PRO HA . 7049 1 198 . 1 1 27 27 PRO HB2 H 1 2.36 0.01 . 2 . . . . 799 PRO HB2 . 7049 1 199 . 1 1 27 27 PRO HG2 H 1 2.29 0.01 . 2 . . . . 799 PRO HG2 . 7049 1 200 . 1 1 27 27 PRO HG3 H 1 2.26 0.01 . 2 . . . . 799 PRO HG3 . 7049 1 201 . 1 1 27 27 PRO HD2 H 1 4.14 0.01 . 2 . . . . 799 PRO HD2 . 7049 1 202 . 1 1 27 27 PRO HD3 H 1 3.79 0.01 . 2 . . . . 799 PRO HD3 . 7049 1 203 . 1 1 28 28 LEU H H 1 7.64 0.01 . 1 . . . . 800 LEU HN . 7049 1 204 . 1 1 28 28 LEU HA H 1 4.58 0.01 . 1 . . . . 800 LEU HA . 7049 1 205 . 1 1 28 28 LEU HB2 H 1 1.82 0.01 . 1 . . . . 800 LEU HB2 . 7049 1 206 . 1 1 28 28 LEU HB3 H 1 1.82 0.01 . 1 . . . . 800 LEU HB3 . 7049 1 207 . 1 1 28 28 LEU HG H 1 1.83 0.01 . 1 . . . . 800 LEU HG . 7049 1 208 . 1 1 28 28 LEU HD11 H 1 1.13 0.01 . 2 . . . . 800 LEU HD1 . 7049 1 209 . 1 1 28 28 LEU HD12 H 1 1.13 0.01 . 2 . . . . 800 LEU HD1 . 7049 1 210 . 1 1 28 28 LEU HD13 H 1 1.13 0.01 . 2 . . . . 800 LEU HD1 . 7049 1 211 . 1 1 28 28 LEU HD21 H 1 1.16 0.01 . 2 . . . . 800 LEU HD2 . 7049 1 212 . 1 1 28 28 LEU HD22 H 1 1.16 0.01 . 2 . . . . 800 LEU HD2 . 7049 1 213 . 1 1 28 28 LEU HD23 H 1 1.16 0.01 . 2 . . . . 800 LEU HD2 . 7049 1 stop_ save_