################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _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 '2D 1H-1H NOESY' . . . 34893 1 2 '2D 1H-13C HSQC' . . . 34893 1 3 '2D 1H-15N HSQC' . . . 34893 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 5 5 SER H H 1 8.073 . . . . . . . A 693 SER H . 34893 1 2 . 1 . 1 5 5 SER HA H 1 4.343 . . . . . . . A 693 SER HA . 34893 1 3 . 1 . 1 5 5 SER HB2 H 1 3.943 . . . . . . . A 693 SER HB2 . 34893 1 4 . 1 . 1 5 5 SER HB3 H 1 3.927 . . . . . . . A 693 SER HB3 . 34893 1 5 . 1 . 1 5 5 SER CA C 13 59.637 . . . . . . . A 693 SER CA . 34893 1 6 . 1 . 1 5 5 SER CB C 13 62.260 . . . . . . . A 693 SER CB . 34893 1 7 . 1 . 1 6 6 ALA H H 1 7.805 . . . . . . . A 694 ALA H . 34893 1 8 . 1 . 1 6 6 ALA HA H 1 4.243 . . . . . . . A 694 ALA HA . 34893 1 9 . 1 . 1 6 6 ALA HB1 H 1 1.510 . . . . . . . A 694 ALA HB1 . 34893 1 10 . 1 . 1 6 6 ALA HB2 H 1 1.510 . . . . . . . A 694 ALA HB2 . 34893 1 11 . 1 . 1 6 6 ALA HB3 H 1 1.510 . . . . . . . A 694 ALA HB3 . 34893 1 12 . 1 . 1 6 6 ALA CA C 13 53.689 . . . . . . . A 694 ALA CA . 34893 1 13 . 1 . 1 6 6 ALA CB C 13 17.455 . . . . . . . A 694 ALA CB . 34893 1 14 . 1 . 1 7 7 LEU H H 1 7.613 . . . . . . . A 695 LEU H . 34893 1 15 . 1 . 1 7 7 LEU HA H 1 4.256 . . . . . . . A 695 LEU HA . 34893 1 16 . 1 . 1 7 7 LEU HB2 H 1 1.691 . . . . . . . A 695 LEU HB2 . 34893 1 17 . 1 . 1 7 7 LEU HB3 H 1 1.924 . . . . . . . A 695 LEU HB3 . 34893 1 18 . 1 . 1 7 7 LEU HG H 1 1.832 . . . . . . . A 695 LEU HG . 34893 1 19 . 1 . 1 7 7 LEU HD11 H 1 0.905 . . . . . . . A 695 LEU HD11 . 34893 1 20 . 1 . 1 7 7 LEU HD12 H 1 0.905 . . . . . . . A 695 LEU HD12 . 34893 1 21 . 1 . 1 7 7 LEU HD13 H 1 0.905 . . . . . . . A 695 LEU HD13 . 34893 1 22 . 1 . 1 7 7 LEU HD21 H 1 0.959 . . . . . . . A 695 LEU HD21 . 34893 1 23 . 1 . 1 7 7 LEU HD22 H 1 0.959 . . . . . . . A 695 LEU HD22 . 34893 1 24 . 1 . 1 7 7 LEU HD23 H 1 0.959 . . . . . . . A 695 LEU HD23 . 34893 1 25 . 1 . 1 7 7 LEU CA C 13 56.941 . . . . . . . A 695 LEU CA . 34893 1 26 . 1 . 1 7 7 LEU CB C 13 41.265 . . . . . . . A 695 LEU CB . 34893 1 27 . 1 . 1 7 7 LEU CG C 13 26.184 . . . . . . . A 695 LEU CG . 34893 1 28 . 1 . 1 7 7 LEU CD1 C 13 21.870 . . . . . . . A 695 LEU CD1 . 34893 1 29 . 1 . 1 7 7 LEU CD2 C 13 23.478 . . . . . . . A 695 LEU CD2 . 34893 1 30 . 1 . 1 8 8 ILE H H 1 7.676 . . . . . . . A 696 ILE H . 34893 1 31 . 1 . 1 8 8 ILE HA H 1 3.889 . . . . . . . A 696 ILE HA . 34893 1 32 . 1 . 1 8 8 ILE HB H 1 1.951 . . . . . . . A 696 ILE HB . 34893 1 33 . 1 . 1 8 8 ILE HG12 H 1 1.318 . . . . . . . A 696 ILE HG12 . 34893 1 34 . 1 . 1 8 8 ILE HG21 H 1 0.972 . . . . . . . A 696 ILE HG21 . 34893 1 35 . 1 . 1 8 8 ILE HG22 H 1 0.972 . . . . . . . A 696 ILE HG22 . 34893 1 36 . 1 . 1 8 8 ILE HG23 H 1 0.972 . . . . . . . A 696 ILE HG23 . 34893 1 37 . 1 . 1 8 8 ILE HD11 H 1 0.899 . . . . . . . A 696 ILE HD11 . 34893 1 38 . 1 . 1 8 8 ILE HD12 H 1 0.899 . . . . . . . A 696 ILE HD12 . 34893 1 39 . 1 . 1 8 8 ILE HD13 H 1 0.899 . . . . . . . A 696 ILE HD13 . 34893 1 40 . 1 . 1 8 8 ILE CA C 13 63.424 . . . . . . . A 696 ILE CA . 34893 1 41 . 1 . 1 8 8 ILE CB C 13 37.134 . . . . . . . A 696 ILE CB . 34893 1 42 . 1 . 1 8 8 ILE CG1 C 13 27.959 . . . . . . . A 696 ILE CG1 . 34893 1 43 . 1 . 1 8 8 ILE CG2 C 13 16.110 . . . . . . . A 696 ILE CG2 . 34893 1 44 . 1 . 1 8 8 ILE CD1 C 13 11.087 . . . . . . . A 696 ILE CD1 . 34893 1 45 . 1 . 1 9 9 GLY H H 1 7.798 . . . . . . . A 697 GLY H . 34893 1 46 . 1 . 1 9 9 GLY HA2 H 1 3.829 . . . . . . . A 697 GLY HA2 . 34893 1 47 . 1 . 1 9 9 GLY HA3 H 1 3.831 . . . . . . . A 697 GLY HA3 . 34893 1 48 . 1 . 1 9 9 GLY CA C 13 46.353 . . . . . . . A 697 GLY CA . 34893 1 49 . 1 . 1 10 10 LEU H H 1 7.612 . . . . . . . A 698 LEU H . 34893 1 50 . 1 . 1 10 10 LEU HA H 1 4.223 . . . . . . . A 698 LEU HA . 34893 1 51 . 1 . 1 10 10 LEU HB2 H 1 1.766 . . . . . . . A 698 LEU HB2 . 34893 1 52 . 1 . 1 10 10 LEU HB3 H 1 2.116 . . . . . . . A 698 LEU HB3 . 34893 1 53 . 1 . 1 10 10 LEU HD11 H 1 0.968 . . . . . . . A 698 LEU HD11 . 34893 1 54 . 1 . 1 10 10 LEU HD12 H 1 0.968 . . . . . . . A 698 LEU HD12 . 34893 1 55 . 1 . 1 10 10 LEU HD13 H 1 0.968 . . . . . . . A 698 LEU HD13 . 34893 1 56 . 1 . 1 10 10 LEU HD21 H 1 0.916 . . . . . . . A 698 LEU HD21 . 34893 1 57 . 1 . 1 10 10 LEU HD22 H 1 0.916 . . . . . . . A 698 LEU HD22 . 34893 1 58 . 1 . 1 10 10 LEU HD23 H 1 0.916 . . . . . . . A 698 LEU HD23 . 34893 1 59 . 1 . 1 10 10 LEU CA C 13 56.723 . . . . . . . A 698 LEU CA . 34893 1 60 . 1 . 1 10 10 LEU CB C 13 41.338 . . . . . . . A 698 LEU CB . 34893 1 61 . 1 . 1 10 10 LEU CD1 C 13 23.125 . . . . . . . A 698 LEU CD1 . 34893 1 62 . 1 . 1 10 10 LEU CD2 C 13 22.387 . . . . . . . A 698 LEU CD2 . 34893 1 63 . 1 . 1 11 11 LEU H H 1 7.871 . . . . . . . A 699 LEU H . 34893 1 64 . 1 . 1 11 11 LEU HA H 1 4.176 . . . . . . . A 699 LEU HA . 34893 1 65 . 1 . 1 11 11 LEU HB2 H 1 1.898 . . . . . . . A 699 LEU HB2 . 34893 1 66 . 1 . 1 11 11 LEU HB3 H 1 1.790 . . . . . . . A 699 LEU HB3 . 34893 1 67 . 1 . 1 11 11 LEU HD11 H 1 0.922 . . . . . . . A 699 LEU HD11 . 34893 1 68 . 1 . 1 11 11 LEU HD12 H 1 0.922 . . . . . . . A 699 LEU HD12 . 34893 1 69 . 1 . 1 11 11 LEU HD13 H 1 0.922 . . . . . . . A 699 LEU HD13 . 34893 1 70 . 1 . 1 11 11 LEU HD21 H 1 0.889 . . . . . . . A 699 LEU HD21 . 34893 1 71 . 1 . 1 11 11 LEU HD22 H 1 0.889 . . . . . . . A 699 LEU HD22 . 34893 1 72 . 1 . 1 11 11 LEU HD23 H 1 0.889 . . . . . . . A 699 LEU HD23 . 34893 1 73 . 1 . 1 11 11 LEU CA C 13 57.344 . . . . . . . A 699 LEU CA . 34893 1 74 . 1 . 1 11 11 LEU CB C 13 41.086 . . . . . . . A 699 LEU CB . 34893 1 75 . 1 . 1 12 12 VAL H H 1 8.046 . . . . . . . A 700 VAL H . 34893 1 76 . 1 . 1 12 12 VAL HA H 1 3.657 . . . . . . . A 700 VAL HA . 34893 1 77 . 1 . 1 12 12 VAL HB H 1 2.258 . . . . . . . A 700 VAL HB . 34893 1 78 . 1 . 1 12 12 VAL HG11 H 1 1.102 . . . . . . . A 700 VAL HG11 . 34893 1 79 . 1 . 1 12 12 VAL HG12 H 1 1.102 . . . . . . . A 700 VAL HG12 . 34893 1 80 . 1 . 1 12 12 VAL HG13 H 1 1.102 . . . . . . . A 700 VAL HG13 . 34893 1 81 . 1 . 1 12 12 VAL HG21 H 1 0.984 . . . . . . . A 700 VAL HG21 . 34893 1 82 . 1 . 1 12 12 VAL HG22 H 1 0.984 . . . . . . . A 700 VAL HG22 . 34893 1 83 . 1 . 1 12 12 VAL HG23 H 1 0.984 . . . . . . . A 700 VAL HG23 . 34893 1 84 . 1 . 1 12 12 VAL CA C 13 66.025 . . . . . . . A 700 VAL CA . 34893 1 85 . 1 . 1 12 12 VAL CB C 13 30.972 . . . . . . . A 700 VAL CB . 34893 1 86 . 1 . 1 12 12 VAL CG1 C 13 21.269 . . . . . . . A 700 VAL CG1 . 34893 1 87 . 1 . 1 12 12 VAL CG2 C 13 19.737 . . . . . . . A 700 VAL CG2 . 34893 1 88 . 1 . 1 13 13 ILE H H 1 7.689 . . . . . . . A 701 ILE H . 34893 1 89 . 1 . 1 13 13 ILE HA H 1 3.838 . . . . . . . A 701 ILE HA . 34893 1 90 . 1 . 1 13 13 ILE HB H 1 2.028 . . . . . . . A 701 ILE HB . 34893 1 91 . 1 . 1 13 13 ILE HG12 H 1 1.242 . . . . . . . A 701 ILE HG12 . 34893 1 92 . 1 . 1 13 13 ILE HG21 H 1 0.993 . . . . . . . A 701 ILE HG21 . 34893 1 93 . 1 . 1 13 13 ILE HG22 H 1 0.993 . . . . . . . A 701 ILE HG22 . 34893 1 94 . 1 . 1 13 13 ILE HG23 H 1 0.993 . . . . . . . A 701 ILE HG23 . 34893 1 95 . 1 . 1 13 13 ILE HD11 H 1 0.887 . . . . . . . A 701 ILE HD11 . 34893 1 96 . 1 . 1 13 13 ILE HD12 H 1 0.887 . . . . . . . A 701 ILE HD12 . 34893 1 97 . 1 . 1 13 13 ILE HD13 H 1 0.887 . . . . . . . A 701 ILE HD13 . 34893 1 98 . 1 . 1 13 13 ILE CA C 13 63.952 . . . . . . . A 701 ILE CA . 34893 1 99 . 1 . 1 13 13 ILE CB C 13 37.240 . . . . . . . A 701 ILE CB . 34893 1 100 . 1 . 1 13 13 ILE CG1 C 13 28.125 . . . . . . . A 701 ILE CG1 . 34893 1 101 . 1 . 1 13 13 ILE CG2 C 13 16.167 . . . . . . . A 701 ILE CG2 . 34893 1 102 . 1 . 1 13 13 ILE CD1 C 13 11.244 . . . . . . . A 701 ILE CD1 . 34893 1 103 . 1 . 1 14 14 ALA H H 1 8.103 . . . . . . . A 702 ALA H . 34893 1 104 . 1 . 1 14 14 ALA HA H 1 4.068 . . . . . . . A 702 ALA HA . 34893 1 105 . 1 . 1 14 14 ALA HB1 H 1 1.599 . . . . . . . A 702 ALA HB1 . 34893 1 106 . 1 . 1 14 14 ALA HB2 H 1 1.599 . . . . . . . A 702 ALA HB2 . 34893 1 107 . 1 . 1 14 14 ALA HB3 H 1 1.599 . . . . . . . A 702 ALA HB3 . 34893 1 108 . 1 . 1 14 14 ALA CA C 13 55.147 . . . . . . . A 702 ALA CA . 34893 1 109 . 1 . 1 14 14 ALA CB C 13 16.834 . . . . . . . A 702 ALA CB . 34893 1 110 . 1 . 1 15 15 VAL H H 1 8.334 . . . . . . . A 703 VAL H . 34893 1 111 . 1 . 1 15 15 VAL HA H 1 3.730 . . . . . . . A 703 VAL HA . 34893 1 112 . 1 . 1 15 15 VAL HB H 1 2.232 . . . . . . . A 703 VAL HB . 34893 1 113 . 1 . 1 15 15 VAL HG11 H 1 0.965 . . . . . . . A 703 VAL HG11 . 34893 1 114 . 1 . 1 15 15 VAL HG12 H 1 0.965 . . . . . . . A 703 VAL HG12 . 34893 1 115 . 1 . 1 15 15 VAL HG13 H 1 0.965 . . . . . . . A 703 VAL HG13 . 34893 1 116 . 1 . 1 15 15 VAL HG21 H 1 1.110 . . . . . . . A 703 VAL HG21 . 34893 1 117 . 1 . 1 15 15 VAL HG22 H 1 1.110 . . . . . . . A 703 VAL HG22 . 34893 1 118 . 1 . 1 15 15 VAL HG23 H 1 1.110 . . . . . . . A 703 VAL HG23 . 34893 1 119 . 1 . 1 15 15 VAL CA C 13 65.572 . . . . . . . A 703 VAL CA . 34893 1 120 . 1 . 1 15 15 VAL CB C 13 31.128 . . . . . . . A 703 VAL CB . 34893 1 121 . 1 . 1 15 15 VAL CG1 C 13 22.689 . . . . . . . A 703 VAL CG1 . 34893 1 122 . 1 . 1 15 15 VAL CG2 C 13 21.570 . . . . . . . A 703 VAL CG2 . 34893 1 123 . 1 . 1 16 16 ALA H H 1 8.393 . . . . . . . A 704 ALA H . 34893 1 124 . 1 . 1 16 16 ALA HA H 1 4.106 . . . . . . . A 704 ALA HA . 34893 1 125 . 1 . 1 16 16 ALA HB1 H 1 1.614 . . . . . . . A 704 ALA HB1 . 34893 1 126 . 1 . 1 16 16 ALA HB2 H 1 1.614 . . . . . . . A 704 ALA HB2 . 34893 1 127 . 1 . 1 16 16 ALA HB3 H 1 1.614 . . . . . . . A 704 ALA HB3 . 34893 1 128 . 1 . 1 16 16 ALA CA C 13 55.483 . . . . . . . A 704 ALA CA . 34893 1 129 . 1 . 1 16 16 ALA CB C 13 16.690 . . . . . . . A 704 ALA CB . 34893 1 130 . 1 . 1 17 17 ILE H H 1 8.559 . . . . . . . A 705 ILE H . 34893 1 131 . 1 . 1 17 17 ILE HA H 1 3.729 . . . . . . . A 705 ILE HA . 34893 1 132 . 1 . 1 17 17 ILE HB H 1 1.947 . . . . . . . A 705 ILE HB . 34893 1 133 . 1 . 1 17 17 ILE HG21 H 1 0.945 . . . . . . . A 705 ILE HG21 . 34893 1 134 . 1 . 1 17 17 ILE HG22 H 1 0.945 . . . . . . . A 705 ILE HG22 . 34893 1 135 . 1 . 1 17 17 ILE HG23 H 1 0.945 . . . . . . . A 705 ILE HG23 . 34893 1 136 . 1 . 1 17 17 ILE CA C 13 64.485 . . . . . . . A 705 ILE CA . 34893 1 137 . 1 . 1 17 17 ILE CB C 13 37.215 . . . . . . . A 705 ILE CB . 34893 1 138 . 1 . 1 17 17 ILE CG2 C 13 15.830 . . . . . . . A 705 ILE CG2 . 34893 1 139 . 1 . 1 18 18 ALA H H 1 8.139 . . . . . . . A 706 ALA H . 34893 1 140 . 1 . 1 18 18 ALA HA H 1 4.037 . . . . . . . A 706 ALA HA . 34893 1 141 . 1 . 1 18 18 ALA HB1 H 1 1.557 . . . . . . . A 706 ALA HB1 . 34893 1 142 . 1 . 1 18 18 ALA HB2 H 1 1.557 . . . . . . . A 706 ALA HB2 . 34893 1 143 . 1 . 1 18 18 ALA HB3 H 1 1.557 . . . . . . . A 706 ALA HB3 . 34893 1 144 . 1 . 1 18 18 ALA CA C 13 54.965 . . . . . . . A 706 ALA CA . 34893 1 145 . 1 . 1 18 18 ALA CB C 13 16.905 . . . . . . . A 706 ALA CB . 34893 1 146 . 1 . 1 19 19 THR H H 1 8.107 . . . . . . . A 707 THR H . 34893 1 147 . 1 . 1 19 19 THR HA H 1 3.876 . . . . . . . A 707 THR HA . 34893 1 148 . 1 . 1 19 19 THR HB H 1 4.533 . . . . . . . A 707 THR HB . 34893 1 149 . 1 . 1 19 19 THR HG1 H 1 5.541 . . . . . . . A 707 THR HG1 . 34893 1 150 . 1 . 1 19 19 THR HG21 H 1 1.270 . . . . . . . A 707 THR HG21 . 34893 1 151 . 1 . 1 19 19 THR HG22 H 1 1.270 . . . . . . . A 707 THR HG22 . 34893 1 152 . 1 . 1 19 19 THR HG23 H 1 1.270 . . . . . . . A 707 THR HG23 . 34893 1 153 . 1 . 1 19 19 THR CA C 13 66.898 . . . . . . . A 707 THR CA . 34893 1 154 . 1 . 1 19 19 THR CB C 13 68.415 . . . . . . . A 707 THR CB . 34893 1 155 . 1 . 1 19 19 THR CG2 C 13 19.492 . . . . . . . A 707 THR CG2 . 34893 1 156 . 1 . 1 20 20 VAL H H 1 7.944 . . . . . . . A 708 VAL H . 34893 1 157 . 1 . 1 20 20 VAL HA H 1 3.674 . . . . . . . A 708 VAL HA . 34893 1 158 . 1 . 1 20 20 VAL HB H 1 2.372 . . . . . . . A 708 VAL HB . 34893 1 159 . 1 . 1 20 20 VAL HG11 H 1 1.139 . . . . . . . A 708 VAL HG11 . 34893 1 160 . 1 . 1 20 20 VAL HG12 H 1 1.139 . . . . . . . A 708 VAL HG12 . 34893 1 161 . 1 . 1 20 20 VAL HG13 H 1 1.139 . . . . . . . A 708 VAL HG13 . 34893 1 162 . 1 . 1 20 20 VAL HG21 H 1 0.969 . . . . . . . A 708 VAL HG21 . 34893 1 163 . 1 . 1 20 20 VAL HG22 H 1 0.969 . . . . . . . A 708 VAL HG22 . 34893 1 164 . 1 . 1 20 20 VAL HG23 H 1 0.969 . . . . . . . A 708 VAL HG23 . 34893 1 165 . 1 . 1 20 20 VAL CA C 13 66.350 . . . . . . . A 708 VAL CA . 34893 1 166 . 1 . 1 20 20 VAL CB C 13 30.849 . . . . . . . A 708 VAL CB . 34893 1 167 . 1 . 1 20 20 VAL CG1 C 13 21.762 . . . . . . . A 708 VAL CG1 . 34893 1 168 . 1 . 1 20 20 VAL CG2 C 13 19.901 . . . . . . . A 708 VAL CG2 . 34893 1 169 . 1 . 1 21 21 ILE H H 1 8.354 . . . . . . . A 709 ILE H . 34893 1 170 . 1 . 1 21 21 ILE HA H 1 3.641 . . . . . . . A 709 ILE HA . 34893 1 171 . 1 . 1 21 21 ILE HB H 1 2.132 . . . . . . . A 709 ILE HB . 34893 1 172 . 1 . 1 21 21 ILE HG12 H 1 0.967 . . . . . . . A 709 ILE HG12 . 34893 1 173 . 1 . 1 21 21 ILE HG13 H 1 1.128 . . . . . . . A 709 ILE HG13 . 34893 1 174 . 1 . 1 21 21 ILE HG21 H 1 0.914 . . . . . . . A 709 ILE HG21 . 34893 1 175 . 1 . 1 21 21 ILE HG22 H 1 0.914 . . . . . . . A 709 ILE HG22 . 34893 1 176 . 1 . 1 21 21 ILE HG23 H 1 0.914 . . . . . . . A 709 ILE HG23 . 34893 1 177 . 1 . 1 21 21 ILE HD11 H 1 0.849 . . . . . . . A 709 ILE HD11 . 34893 1 178 . 1 . 1 21 21 ILE HD12 H 1 0.849 . . . . . . . A 709 ILE HD12 . 34893 1 179 . 1 . 1 21 21 ILE HD13 H 1 0.849 . . . . . . . A 709 ILE HD13 . 34893 1 180 . 1 . 1 21 21 ILE CA C 13 65.536 . . . . . . . A 709 ILE CA . 34893 1 181 . 1 . 1 21 21 ILE CB C 13 36.827 . . . . . . . A 709 ILE CB . 34893 1 182 . 1 . 1 21 21 ILE CG2 C 13 15.531 . . . . . . . A 709 ILE CG2 . 34893 1 183 . 1 . 1 21 21 ILE CD1 C 13 11.584 . . . . . . . A 709 ILE CD1 . 34893 1 184 . 1 . 1 22 22 VAL H H 1 8.414 . . . . . . . A 710 VAL H . 34893 1 185 . 1 . 1 22 22 VAL HA H 1 3.642 . . . . . . . A 710 VAL HA . 34893 1 186 . 1 . 1 22 22 VAL HB H 1 2.267 . . . . . . . A 710 VAL HB . 34893 1 187 . 1 . 1 22 22 VAL HG11 H 1 0.981 . . . . . . . A 710 VAL HG11 . 34893 1 188 . 1 . 1 22 22 VAL HG12 H 1 0.981 . . . . . . . A 710 VAL HG12 . 34893 1 189 . 1 . 1 22 22 VAL HG13 H 1 0.981 . . . . . . . A 710 VAL HG13 . 34893 1 190 . 1 . 1 22 22 VAL HG21 H 1 0.912 . . . . . . . A 710 VAL HG21 . 34893 1 191 . 1 . 1 22 22 VAL HG22 H 1 0.912 . . . . . . . A 710 VAL HG22 . 34893 1 192 . 1 . 1 22 22 VAL HG23 H 1 0.912 . . . . . . . A 710 VAL HG23 . 34893 1 193 . 1 . 1 22 22 VAL CA C 13 67.350 . . . . . . . A 710 VAL CA . 34893 1 194 . 1 . 1 22 22 VAL CB C 13 30.972 . . . . . . . A 710 VAL CB . 34893 1 195 . 1 . 1 22 22 VAL CG1 C 13 16.121 . . . . . . . A 710 VAL CG1 . 34893 1 196 . 1 . 1 22 22 VAL CG2 C 13 15.531 . . . . . . . A 710 VAL CG2 . 34893 1 197 . 1 . 1 23 23 ILE H H 1 8.579 . . . . . . . A 711 ILE H . 34893 1 198 . 1 . 1 23 23 ILE HA H 1 3.722 . . . . . . . A 711 ILE HA . 34893 1 199 . 1 . 1 23 23 ILE HB H 1 1.992 . . . . . . . A 711 ILE HB . 34893 1 200 . 1 . 1 23 23 ILE HG21 H 1 0.953 . . . . . . . A 711 ILE HG21 . 34893 1 201 . 1 . 1 23 23 ILE HG22 H 1 0.953 . . . . . . . A 711 ILE HG22 . 34893 1 202 . 1 . 1 23 23 ILE HG23 H 1 0.953 . . . . . . . A 711 ILE HG23 . 34893 1 203 . 1 . 1 23 23 ILE HD11 H 1 0.851 . . . . . . . A 711 ILE HD11 . 34893 1 204 . 1 . 1 23 23 ILE HD12 H 1 0.851 . . . . . . . A 711 ILE HD12 . 34893 1 205 . 1 . 1 23 23 ILE HD13 H 1 0.851 . . . . . . . A 711 ILE HD13 . 34893 1 206 . 1 . 1 23 23 ILE CA C 13 64.765 . . . . . . . A 711 ILE CA . 34893 1 207 . 1 . 1 23 23 ILE CB C 13 36.913 . . . . . . . A 711 ILE CB . 34893 1 208 . 1 . 1 23 23 ILE CG2 C 13 16.156 . . . . . . . A 711 ILE CG2 . 34893 1 209 . 1 . 1 23 23 ILE CD1 C 13 11.584 . . . . . . . A 711 ILE CD1 . 34893 1 210 . 1 . 1 24 24 SER H H 1 8.269 . . . . . . . A 712 SER H . 34893 1 211 . 1 . 1 24 24 SER HA H 1 4.262 . . . . . . . A 712 SER HA . 34893 1 212 . 1 . 1 24 24 SER HB2 H 1 4.169 . . . . . . . A 712 SER HB2 . 34893 1 213 . 1 . 1 24 24 SER CA C 13 59.980 . . . . . . . A 712 SER CA . 34893 1 214 . 1 . 1 24 24 SER CB C 13 62.264 . . . . . . . A 712 SER CB . 34893 1 215 . 1 . 1 25 25 LEU H H 1 8.297 . . . . . . . A 713 LEU H . 34893 1 216 . 1 . 1 25 25 LEU HA H 1 4.183 . . . . . . . A 713 LEU HA . 34893 1 217 . 1 . 1 25 25 LEU HB2 H 1 2.118 . . . . . . . A 713 LEU HB2 . 34893 1 218 . 1 . 1 25 25 LEU HB3 H 1 1.505 . . . . . . . A 713 LEU HB3 . 34893 1 219 . 1 . 1 25 25 LEU HG H 1 0.970 . . . . . . . A 713 LEU HG . 34893 1 220 . 1 . 1 25 25 LEU HD11 H 1 0.862 . . . . . . . A 713 LEU HD11 . 34893 1 221 . 1 . 1 25 25 LEU HD12 H 1 0.862 . . . . . . . A 713 LEU HD12 . 34893 1 222 . 1 . 1 25 25 LEU HD13 H 1 0.862 . . . . . . . A 713 LEU HD13 . 34893 1 223 . 1 . 1 25 25 LEU HD21 H 1 0.911 . . . . . . . A 713 LEU HD21 . 34893 1 224 . 1 . 1 25 25 LEU HD22 H 1 0.911 . . . . . . . A 713 LEU HD22 . 34893 1 225 . 1 . 1 25 25 LEU HD23 H 1 0.911 . . . . . . . A 713 LEU HD23 . 34893 1 226 . 1 . 1 25 25 LEU CA C 13 57.344 . . . . . . . A 713 LEU CA . 34893 1 227 . 1 . 1 25 25 LEU CB C 13 41.350 . . . . . . . A 713 LEU CB . 34893 1 228 . 1 . 1 26 26 VAL H H 1 8.447 . . . . . . . A 714 VAL H . 34893 1 229 . 1 . 1 26 26 VAL HA H 1 3.724 . . . . . . . A 714 VAL HA . 34893 1 230 . 1 . 1 26 26 VAL HB H 1 2.348 . . . . . . . A 714 VAL HB . 34893 1 231 . 1 . 1 26 26 VAL HG11 H 1 1.099 . . . . . . . A 714 VAL HG11 . 34893 1 232 . 1 . 1 26 26 VAL HG12 H 1 1.099 . . . . . . . A 714 VAL HG12 . 34893 1 233 . 1 . 1 26 26 VAL HG13 H 1 1.099 . . . . . . . A 714 VAL HG13 . 34893 1 234 . 1 . 1 26 26 VAL HG21 H 1 0.965 . . . . . . . A 714 VAL HG21 . 34893 1 235 . 1 . 1 26 26 VAL HG22 H 1 0.965 . . . . . . . A 714 VAL HG22 . 34893 1 236 . 1 . 1 26 26 VAL HG23 H 1 0.965 . . . . . . . A 714 VAL HG23 . 34893 1 237 . 1 . 1 26 26 VAL CA C 13 65.900 . . . . . . . A 714 VAL CA . 34893 1 238 . 1 . 1 26 26 VAL CB C 13 31.203 . . . . . . . A 714 VAL CB . 34893 1 239 . 1 . 1 26 26 VAL CG1 C 13 21.029 . . . . . . . A 714 VAL CG1 . 34893 1 240 . 1 . 1 26 26 VAL CG2 C 13 20.029 . . . . . . . A 714 VAL CG2 . 34893 1 241 . 1 . 1 27 27 MET H H 1 8.464 . . . . . . . A 715 MET H . 34893 1 242 . 1 . 1 27 27 MET HA H 1 4.317 . . . . . . . A 715 MET HA . 34893 1 243 . 1 . 1 27 27 MET HB2 H 1 2.326 . . . . . . . A 715 MET HB2 . 34893 1 244 . 1 . 1 27 27 MET HB3 H 1 2.112 . . . . . . . A 715 MET HB3 . 34893 1 245 . 1 . 1 27 27 MET HG2 H 1 2.670 . . . . . . . A 715 MET HG2 . 34893 1 246 . 1 . 1 27 27 MET HG3 H 1 2.774 . . . . . . . A 715 MET HG3 . 34893 1 247 . 1 . 1 27 27 MET CA C 13 57.193 . . . . . . . A 715 MET CA . 34893 1 248 . 1 . 1 27 27 MET CB C 13 31.450 . . . . . . . A 715 MET CB . 34893 1 249 . 1 . 1 27 27 MET CG C 13 31.996 . . . . . . . A 715 MET CG . 34893 1 250 . 1 . 1 28 28 LEU H H 1 8.009 . . . . . . . A 716 LEU H . 34893 1 251 . 1 . 1 28 28 LEU HA H 1 4.282 . . . . . . . A 716 LEU HA . 34893 1 252 . 1 . 1 28 28 LEU HB2 H 1 1.958 . . . . . . . A 716 LEU HB2 . 34893 1 253 . 1 . 1 28 28 LEU HB3 H 1 1.652 . . . . . . . A 716 LEU HB3 . 34893 1 254 . 1 . 1 28 28 LEU HG H 1 1.865 . . . . . . . A 716 LEU HG . 34893 1 255 . 1 . 1 28 28 LEU HD11 H 1 0.935 . . . . . . . A 716 LEU HD11 . 34893 1 256 . 1 . 1 28 28 LEU HD12 H 1 0.935 . . . . . . . A 716 LEU HD12 . 34893 1 257 . 1 . 1 28 28 LEU HD13 H 1 0.935 . . . . . . . A 716 LEU HD13 . 34893 1 258 . 1 . 1 28 28 LEU HD21 H 1 0.904 . . . . . . . A 716 LEU HD21 . 34893 1 259 . 1 . 1 28 28 LEU HD22 H 1 0.904 . . . . . . . A 716 LEU HD22 . 34893 1 260 . 1 . 1 28 28 LEU HD23 H 1 0.904 . . . . . . . A 716 LEU HD23 . 34893 1 261 . 1 . 1 28 28 LEU CA C 13 55.963 . . . . . . . A 716 LEU CA . 34893 1 262 . 1 . 1 28 28 LEU CB C 13 41.662 . . . . . . . A 716 LEU CB . 34893 1 263 . 1 . 1 28 28 LEU CG C 13 28.093 . . . . . . . A 716 LEU CG . 34893 1 264 . 1 . 1 28 28 LEU CD1 C 13 23.609 . . . . . . . A 716 LEU CD1 . 34893 1 265 . 1 . 1 29 29 ARG H H 1 7.740 . . . . . . . A 717 ARG H . 34893 1 266 . 1 . 1 29 29 ARG HA H 1 4.280 . . . . . . . A 717 ARG HA . 34893 1 267 . 1 . 1 29 29 ARG HB2 H 1 1.980 . . . . . . . A 717 ARG HB2 . 34893 1 268 . 1 . 1 29 29 ARG HB3 H 1 1.983 . . . . . . . A 717 ARG HB3 . 34893 1 269 . 1 . 1 29 29 ARG HG2 H 1 1.790 . . . . . . . A 717 ARG HG2 . 34893 1 270 . 1 . 1 29 29 ARG HG3 H 1 1.732 . . . . . . . A 717 ARG HG3 . 34893 1 271 . 1 . 1 29 29 ARG HD2 H 1 3.222 . . . . . . . A 717 ARG HD2 . 34893 1 272 . 1 . 1 29 29 ARG CA C 13 56.110 . . . . . . . A 717 ARG CA . 34893 1 273 . 1 . 1 29 29 ARG CB C 13 29.507 . . . . . . . A 717 ARG CB . 34893 1 274 . 1 . 1 29 29 ARG CG C 13 26.530 . . . . . . . A 717 ARG CG . 34893 1 275 . 1 . 1 29 29 ARG CD C 13 42.676 . . . . . . . A 717 ARG CD . 34893 1 276 . 1 . 1 30 30 LYS H H 1 7.928 . . . . . . . A 718 LYS H . 34893 1 277 . 1 . 1 30 30 LYS HA H 1 4.319 . . . . . . . A 718 LYS HA . 34893 1 278 . 1 . 1 30 30 LYS HB2 H 1 1.974 . . . . . . . A 718 LYS HB2 . 34893 1 279 . 1 . 1 30 30 LYS HB3 H 1 1.874 . . . . . . . A 718 LYS HB3 . 34893 1 280 . 1 . 1 30 30 LYS HD2 H 1 1.725 . . . . . . . A 718 LYS HD2 . 34893 1 281 . 1 . 1 30 30 LYS HD3 H 1 1.521 . . . . . . . A 718 LYS HD3 . 34893 1 282 . 1 . 1 30 30 LYS HE2 H 1 2.776 . . . . . . . A 718 LYS HE2 . 34893 1 283 . 1 . 1 30 30 LYS HE3 H 1 2.671 . . . . . . . A 718 LYS HE3 . 34893 1 284 . 1 . 1 30 30 LYS CA C 13 56.004 . . . . . . . A 718 LYS CA . 34893 1 285 . 1 . 1 30 30 LYS CB C 13 31.841 . . . . . . . A 718 LYS CB . 34893 1 286 . 1 . 1 30 30 LYS CD C 13 28.043 . . . . . . . A 718 LYS CD . 34893 1 287 . 1 . 1 31 31 ARG H H 1 7.584 . . . . . . . A 719 ARG H . 34893 1 288 . 1 . 1 31 31 ARG HA H 1 4.242 . . . . . . . A 719 ARG HA . 34893 1 289 . 1 . 1 31 31 ARG HB2 H 1 1.915 . . . . . . . A 719 ARG HB2 . 34893 1 290 . 1 . 1 31 31 ARG HB3 H 1 1.774 . . . . . . . A 719 ARG HB3 . 34893 1 291 . 1 . 1 31 31 ARG HG2 H 1 1.673 . . . . . . . A 719 ARG HG2 . 34893 1 292 . 1 . 1 31 31 ARG HD2 H 1 3.229 . . . . . . . A 719 ARG HD2 . 34893 1 293 . 1 . 1 31 31 ARG CA C 13 56.437 . . . . . . . A 719 ARG CA . 34893 1 294 . 1 . 1 31 31 ARG CB C 13 31.118 . . . . . . . A 719 ARG CB . 34893 1 295 . 1 . 1 31 31 ARG CG C 13 26.182 . . . . . . . A 719 ARG CG . 34893 1 stop_ save_