################################### # 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 17803 _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 . _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' . . . 17803 1 2 '2D 1H-1H NOESY' . . . 17803 1 4 '2D 1H-13C HSQC' . . . 17803 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 GLY HA2 H 1 3.930 0.001 . 2 . . . . 1 GLY HA . 17803 1 2 . 1 1 1 1 GLY HA3 H 1 3.930 0.001 . 2 . . . . 1 GLY HA . 17803 1 3 . 1 1 1 1 GLY CA C 13 43.928 0.001 . 1 . . . . 1 GLY CA . 17803 1 4 . 1 1 2 2 ILE H H 1 8.376 0.001 . 1 . . . . 2 ILE H . 17803 1 5 . 1 1 2 2 ILE HA H 1 3.923 0.001 . 1 . . . . 2 ILE HA . 17803 1 6 . 1 1 2 2 ILE HB H 1 1.321 0.001 . 1 . . . . 2 ILE HB . 17803 1 7 . 1 1 2 2 ILE HG12 H 1 1.186 0.004 . 2 . . . . 2 ILE HG12 . 17803 1 8 . 1 1 2 2 ILE HG13 H 1 0.941 0.001 . 2 . . . . 2 ILE HG13 . 17803 1 9 . 1 1 2 2 ILE HG21 H 1 0.742 0.001 . 1 . . . . 2 ILE QG2 . 17803 1 10 . 1 1 2 2 ILE HG22 H 1 0.742 0.001 . 1 . . . . 2 ILE QG2 . 17803 1 11 . 1 1 2 2 ILE HG23 H 1 0.742 0.001 . 1 . . . . 2 ILE QG2 . 17803 1 12 . 1 1 2 2 ILE HD11 H 1 0.655 0.001 . 1 . . . . 2 ILE QD1 . 17803 1 13 . 1 1 2 2 ILE HD12 H 1 0.655 0.001 . 1 . . . . 2 ILE QD1 . 17803 1 14 . 1 1 2 2 ILE HD13 H 1 0.655 0.001 . 1 . . . . 2 ILE QD1 . 17803 1 15 . 1 1 2 2 ILE CA C 13 62.665 0.001 . 1 . . . . 2 ILE CA . 17803 1 16 . 1 1 2 2 ILE CG1 C 13 28.065 0.003 . 1 . . . . 2 ILE CG1 . 17803 1 17 . 1 1 2 2 ILE CG2 C 13 16.936 0.001 . 1 . . . . 2 ILE CG2 . 17803 1 18 . 1 1 2 2 ILE CD1 C 13 14.013 0.001 . 1 . . . . 2 ILE CD1 . 17803 1 19 . 1 1 3 3 VAL H H 1 7.917 0.001 . 1 . . . . 3 VAL H . 17803 1 20 . 1 1 3 3 VAL HA H 1 3.649 0.001 . 1 . . . . 3 VAL HA . 17803 1 21 . 1 1 3 3 VAL HB H 1 1.947 0.002 . 1 . . . . 3 VAL HB . 17803 1 22 . 1 1 3 3 VAL HG11 H 1 0.911 0.001 . 1 . . . . 3 VAL QG1 . 17803 1 23 . 1 1 3 3 VAL HG12 H 1 0.911 0.001 . 1 . . . . 3 VAL QG1 . 17803 1 24 . 1 1 3 3 VAL HG13 H 1 0.911 0.001 . 1 . . . . 3 VAL QG1 . 17803 1 25 . 1 1 3 3 VAL HG21 H 1 0.864 0.001 . 1 . . . . 3 VAL QG2 . 17803 1 26 . 1 1 3 3 VAL HG22 H 1 0.864 0.001 . 1 . . . . 3 VAL QG2 . 17803 1 27 . 1 1 3 3 VAL HG23 H 1 0.864 0.001 . 1 . . . . 3 VAL QG2 . 17803 1 28 . 1 1 3 3 VAL CB C 13 31.695 0.001 . 1 . . . . 3 VAL CB . 17803 1 29 . 1 1 3 3 VAL CG1 C 13 22.096 0.001 . 2 . . . . 3 VAL CG1 . 17803 1 30 . 1 1 3 3 VAL CG2 C 13 21.130 0.001 . 2 . . . . 3 VAL CG2 . 17803 1 31 . 1 1 4 4 GLU H H 1 7.994 0.001 . 1 . . . . 4 GLU H . 17803 1 32 . 1 1 4 4 GLU HA H 1 4.194 0.001 . 1 . . . . 4 GLU HA . 17803 1 33 . 1 1 4 4 GLU HB2 H 1 2.035 0.001 . 2 . . . . 4 GLU QB . 17803 1 34 . 1 1 4 4 GLU HB3 H 1 2.035 0.001 . 2 . . . . 4 GLU QB . 17803 1 35 . 1 1 4 4 GLU HG2 H 1 2.450 0.001 . 2 . . . . 4 GLU QG . 17803 1 36 . 1 1 4 4 GLU HG3 H 1 2.450 0.001 . 2 . . . . 4 GLU QG . 17803 1 37 . 1 1 4 4 GLU CB C 13 27.922 0.001 . 1 . . . . 4 GLU CB . 17803 1 38 . 1 1 4 4 GLU CG C 13 33.148 0.001 . 1 . . . . 4 GLU CG . 17803 1 39 . 1 1 5 5 GLN H H 1 8.210 0.001 . 1 . . . . 5 GLN H . 17803 1 40 . 1 1 5 5 GLN HA H 1 4.002 0.001 . 1 . . . . 5 GLN HA . 17803 1 41 . 1 1 5 5 GLN HB2 H 1 2.055 0.001 . 2 . . . . 5 GLN HB2 . 17803 1 42 . 1 1 5 5 GLN HB3 H 1 1.997 0.001 . 2 . . . . 5 GLN HB3 . 17803 1 43 . 1 1 5 5 GLN HG2 H 1 2.400 0.001 . 2 . . . . 5 GLN HG2 . 17803 1 44 . 1 1 5 5 GLN HG3 H 1 2.335 0.001 . 2 . . . . 5 GLN HG3 . 17803 1 45 . 1 1 5 5 GLN HE21 H 1 7.439 0.001 . 2 . . . . 5 GLN HE21 . 17803 1 46 . 1 1 5 5 GLN HE22 H 1 6.746 0.001 . 2 . . . . 5 GLN HE22 . 17803 1 47 . 1 1 5 5 GLN CA C 13 58.634 0.001 . 1 . . . . 5 GLN CA . 17803 1 48 . 1 1 5 5 GLN CB C 13 29.215 0.001 . 1 . . . . 5 GLN CB . 17803 1 49 . 1 1 5 5 GLN CG C 13 33.925 0.001 . 1 . . . . 5 GLN CG . 17803 1 50 . 1 1 6 6 CYS H H 1 8.138 0.002 . 1 . . . . 6 CYS H . 17803 1 51 . 1 1 6 6 CYS HA H 1 4.811 0.002 . 1 . . . . 6 CYS HA . 17803 1 52 . 1 1 6 6 CYS HB2 H 1 3.260 0.001 . 2 . . . . 6 CYS HB2 . 17803 1 53 . 1 1 6 6 CYS HB3 H 1 2.839 0.001 . 2 . . . . 6 CYS HB3 . 17803 1 54 . 1 1 6 6 CYS CA C 13 54.548 0.001 . 1 . . . . 6 CYS CA . 17803 1 55 . 1 1 7 7 CYS H H 1 8.228 0.004 . 1 . . . . 7 CYS H . 17803 1 56 . 1 1 7 7 CYS HA H 1 4.762 0.001 . 1 . . . . 7 CYS HA . 17803 1 57 . 1 1 7 7 CYS HB2 H 1 3.655 0.001 . 2 . . . . 7 CYS HB2 . 17803 1 58 . 1 1 7 7 CYS HB3 H 1 3.261 0.001 . 2 . . . . 7 CYS HB3 . 17803 1 59 . 1 1 7 7 CYS CA C 13 57.111 0.001 . 1 . . . . 7 CYS CA . 17803 1 60 . 1 1 8 8 THR H H 1 8.010 0.004 . 1 . . . . 8 THR H . 17803 1 61 . 1 1 8 8 THR HA H 1 4.038 0.001 . 1 . . . . 8 THR HA . 17803 1 62 . 1 1 8 8 THR HB H 1 4.339 0.002 . 1 . . . . 8 THR HB . 17803 1 63 . 1 1 8 8 THR HG21 H 1 1.192 0.001 . 1 . . . . 8 THR QG2 . 17803 1 64 . 1 1 8 8 THR HG22 H 1 1.192 0.001 . 1 . . . . 8 THR QG2 . 17803 1 65 . 1 1 8 8 THR HG23 H 1 1.192 0.001 . 1 . . . . 8 THR QG2 . 17803 1 66 . 1 1 8 8 THR CA C 13 64.343 0.001 . 1 . . . . 8 THR CA . 17803 1 67 . 1 1 8 8 THR CB C 13 68.548 0.001 . 1 . . . . 8 THR CB . 17803 1 68 . 1 1 8 8 THR CG2 C 13 22.181 0.001 . 1 . . . . 8 THR CG2 . 17803 1 69 . 1 1 9 9 SER H H 1 7.417 0.002 . 1 . . . . 9 SER H . 17803 1 70 . 1 1 9 9 SER HA H 1 4.668 0.001 . 1 . . . . 9 SER HA . 17803 1 71 . 1 1 9 9 SER HB2 H 1 3.972 0.002 . 2 . . . . 9 SER HB2 . 17803 1 72 . 1 1 9 9 SER HB3 H 1 3.817 0.001 . 2 . . . . 9 SER HB3 . 17803 1 73 . 1 1 9 9 SER CA C 13 56.043 0.001 . 1 . . . . 9 SER CA . 17803 1 74 . 1 1 9 9 SER CB C 13 63.877 0.001 . 1 . . . . 9 SER CB . 17803 1 75 . 1 1 10 10 ILE H H 1 7.756 0.002 . 1 . . . . 10 ILE H . 17803 1 76 . 1 1 10 10 ILE HA H 1 4.377 0.001 . 1 . . . . 10 ILE HA . 17803 1 77 . 1 1 10 10 ILE HB H 1 1.550 0.003 . 1 . . . . 10 ILE HB . 17803 1 78 . 1 1 10 10 ILE HG12 H 1 1.150 0.002 . 2 . . . . 10 ILE HG12 . 17803 1 79 . 1 1 10 10 ILE HG13 H 1 0.563 0.002 . 2 . . . . 10 ILE HG13 . 17803 1 80 . 1 1 10 10 ILE HG21 H 1 0.648 0.002 . 1 . . . . 10 ILE QG2 . 17803 1 81 . 1 1 10 10 ILE HG22 H 1 0.648 0.002 . 1 . . . . 10 ILE QG2 . 17803 1 82 . 1 1 10 10 ILE HG23 H 1 0.648 0.002 . 1 . . . . 10 ILE QG2 . 17803 1 83 . 1 1 10 10 ILE HD11 H 1 0.566 0.001 . 1 . . . . 10 ILE QD1 . 17803 1 84 . 1 1 10 10 ILE HD12 H 1 0.566 0.001 . 1 . . . . 10 ILE QD1 . 17803 1 85 . 1 1 10 10 ILE HD13 H 1 0.566 0.001 . 1 . . . . 10 ILE QD1 . 17803 1 86 . 1 1 10 10 ILE CA C 13 59.861 0.001 . 1 . . . . 10 ILE CA . 17803 1 87 . 1 1 10 10 ILE CB C 13 39.419 0.001 . 1 . . . . 10 ILE CB . 17803 1 88 . 1 1 10 10 ILE CG1 C 13 27.037 0.001 . 1 . . . . 10 ILE CG1 . 17803 1 89 . 1 1 10 10 ILE CG2 C 13 17.441 0.001 . 1 . . . . 10 ILE CG2 . 17803 1 90 . 1 1 10 10 ILE CD1 C 13 12.766 0.001 . 1 . . . . 10 ILE CD1 . 17803 1 91 . 1 1 11 11 CYS H H 1 9.351 0.003 . 1 . . . . 11 CYS H . 17803 1 92 . 1 1 11 11 CYS HA H 1 4.985 0.001 . 1 . . . . 11 CYS HA . 17803 1 93 . 1 1 11 11 CYS HB2 H 1 3.233 0.004 . 2 . . . . 11 CYS HB2 . 17803 1 94 . 1 1 11 11 CYS HB3 H 1 3.078 0.002 . 2 . . . . 11 CYS HB3 . 17803 1 95 . 1 1 11 11 CYS CA C 13 52.917 0.001 . 1 . . . . 11 CYS CA . 17803 1 96 . 1 1 12 12 SER H H 1 8.551 0.001 . 1 . . . . 12 SER H . 17803 1 97 . 1 1 12 12 SER HA H 1 4.553 0.001 . 1 . . . . 12 SER HA . 17803 1 98 . 1 1 12 12 SER HB2 H 1 4.257 0.002 . 2 . . . . 12 SER HB2 . 17803 1 99 . 1 1 12 12 SER HB3 H 1 3.927 0.001 . 2 . . . . 12 SER HB3 . 17803 1 100 . 1 1 12 12 SER CA C 13 56.396 0.001 . 1 . . . . 12 SER CA . 17803 1 101 . 1 1 12 12 SER CB C 13 65.643 0.001 . 1 . . . . 12 SER CB . 17803 1 102 . 1 1 13 13 LEU H H 1 8.596 0.001 . 1 . . . . 13 LEU H . 17803 1 103 . 1 1 13 13 LEU HA H 1 3.938 0.001 . 1 . . . . 13 LEU HA . 17803 1 104 . 1 1 13 13 LEU HB2 H 1 1.515 0.002 . 2 . . . . 13 LEU HB2 . 17803 1 105 . 1 1 13 13 LEU HB3 H 1 1.432 0.001 . 2 . . . . 13 LEU HB3 . 17803 1 106 . 1 1 13 13 LEU HG H 1 1.506 0.001 . 1 . . . . 13 LEU HG . 17803 1 107 . 1 1 13 13 LEU HD11 H 1 0.867 0.001 . 1 . . . . 13 LEU QD1 . 17803 1 108 . 1 1 13 13 LEU HD12 H 1 0.867 0.001 . 1 . . . . 13 LEU QD1 . 17803 1 109 . 1 1 13 13 LEU HD13 H 1 0.867 0.001 . 1 . . . . 13 LEU QD1 . 17803 1 110 . 1 1 13 13 LEU HD21 H 1 0.792 0.001 . 1 . . . . 13 LEU QD2 . 17803 1 111 . 1 1 13 13 LEU HD22 H 1 0.792 0.001 . 1 . . . . 13 LEU QD2 . 17803 1 112 . 1 1 13 13 LEU HD23 H 1 0.792 0.001 . 1 . . . . 13 LEU QD2 . 17803 1 113 . 1 1 13 13 LEU CA C 13 58.536 0.001 . 1 . . . . 13 LEU CA . 17803 1 114 . 1 1 13 13 LEU CB C 13 41.364 0.001 . 1 . . . . 13 LEU CB . 17803 1 115 . 1 1 13 13 LEU CG C 13 27.058 0.001 . 1 . . . . 13 LEU CG . 17803 1 116 . 1 1 13 13 LEU CD1 C 13 24.165 0.001 . 2 . . . . 13 LEU CD1 . 17803 1 117 . 1 1 13 13 LEU CD2 C 13 24.522 0.001 . 2 . . . . 13 LEU CD2 . 17803 1 118 . 1 1 14 14 TYR H H 1 7.477 0.002 . 1 . . . . 14 TYR H . 17803 1 119 . 1 1 14 14 TYR HA H 1 4.116 0.001 . 1 . . . . 14 TYR HA . 17803 1 120 . 1 1 14 14 TYR HB2 H 1 2.929 0.001 . 2 . . . . 14 TYR QB . 17803 1 121 . 1 1 14 14 TYR HB3 H 1 2.929 0.001 . 2 . . . . 14 TYR QB . 17803 1 122 . 1 1 14 14 TYR HD1 H 1 7.041 0.002 . 3 . . . . 14 TYR QD . 17803 1 123 . 1 1 14 14 TYR HD2 H 1 7.041 0.002 . 3 . . . . 14 TYR QD . 17803 1 124 . 1 1 14 14 TYR HE1 H 1 6.804 0.002 . 3 . . . . 14 TYR QE . 17803 1 125 . 1 1 14 14 TYR HE2 H 1 6.804 0.002 . 3 . . . . 14 TYR QE . 17803 1 126 . 1 1 14 14 TYR CA C 13 60.260 0.001 . 1 . . . . 14 TYR CA . 17803 1 127 . 1 1 14 14 TYR CB C 13 37.840 0.001 . 1 . . . . 14 TYR CB . 17803 1 128 . 1 1 15 15 GLN H H 1 7.521 0.002 . 1 . . . . 15 GLN H . 17803 1 129 . 1 1 15 15 GLN HA H 1 3.937 0.001 . 1 . . . . 15 GLN HA . 17803 1 130 . 1 1 15 15 GLN HB2 H 1 2.330 0.001 . 2 . . . . 15 GLN HB2 . 17803 1 131 . 1 1 15 15 GLN HB3 H 1 1.973 0.001 . 2 . . . . 15 GLN HB3 . 17803 1 132 . 1 1 15 15 GLN HG2 H 1 2.406 0.001 . 2 . . . . 15 GLN HG2 . 17803 1 133 . 1 1 15 15 GLN HG3 H 1 2.345 0.001 . 2 . . . . 15 GLN HG3 . 17803 1 134 . 1 1 15 15 GLN HE21 H 1 7.370 0.001 . 2 . . . . 15 GLN HE21 . 17803 1 135 . 1 1 15 15 GLN HE22 H 1 6.845 0.001 . 2 . . . . 15 GLN HE22 . 17803 1 136 . 1 1 15 15 GLN CA C 13 58.261 0.001 . 1 . . . . 15 GLN CA . 17803 1 137 . 1 1 15 15 GLN CB C 13 29.119 0.001 . 1 . . . . 15 GLN CB . 17803 1 138 . 1 1 15 15 GLN CG C 13 35.010 0.003 . 1 . . . . 15 GLN CG . 17803 1 139 . 1 1 16 16 LEU H H 1 7.979 0.001 . 1 . . . . 16 LEU H . 17803 1 140 . 1 1 16 16 LEU HA H 1 4.102 0.001 . 1 . . . . 16 LEU HA . 17803 1 141 . 1 1 16 16 LEU HB2 H 1 1.860 0.001 . 2 . . . . 16 LEU HB2 . 17803 1 142 . 1 1 16 16 LEU HB3 H 1 1.582 0.001 . 2 . . . . 16 LEU HB3 . 17803 1 143 . 1 1 16 16 LEU HG H 1 1.700 0.001 . 1 . . . . 16 LEU HG . 17803 1 144 . 1 1 16 16 LEU HD11 H 1 0.799 0.001 . 1 . . . . 16 LEU QD1 . 17803 1 145 . 1 1 16 16 LEU HD12 H 1 0.799 0.001 . 1 . . . . 16 LEU QD1 . 17803 1 146 . 1 1 16 16 LEU HD13 H 1 0.799 0.001 . 1 . . . . 16 LEU QD1 . 17803 1 147 . 1 1 16 16 LEU HD21 H 1 0.760 0.001 . 1 . . . . 16 LEU QD2 . 17803 1 148 . 1 1 16 16 LEU HD22 H 1 0.760 0.001 . 1 . . . . 16 LEU QD2 . 17803 1 149 . 1 1 16 16 LEU HD23 H 1 0.760 0.001 . 1 . . . . 16 LEU QD2 . 17803 1 150 . 1 1 16 16 LEU CA C 13 58.194 0.001 . 1 . . . . 16 LEU CA . 17803 1 151 . 1 1 16 16 LEU CB C 13 42.033 0.008 . 1 . . . . 16 LEU CB . 17803 1 152 . 1 1 16 16 LEU CG C 13 26.946 0.001 . 1 . . . . 16 LEU CG . 17803 1 153 . 1 1 16 16 LEU CD1 C 13 25.589 0.001 . 2 . . . . 16 LEU CD1 . 17803 1 154 . 1 1 16 16 LEU CD2 C 13 24.979 0.001 . 2 . . . . 16 LEU CD2 . 17803 1 155 . 1 1 17 17 GLU H H 1 8.067 0.001 . 1 . . . . 17 GLU H . 17803 1 156 . 1 1 17 17 GLU HA H 1 4.069 0.001 . 1 . . . . 17 GLU HA . 17803 1 157 . 1 1 17 17 GLU HB2 H 1 2.058 0.001 . 2 . . . . 17 GLU HB2 . 17803 1 158 . 1 1 17 17 GLU HB3 H 1 1.977 0.005 . 2 . . . . 17 GLU HB3 . 17803 1 159 . 1 1 17 17 GLU HG2 H 1 2.520 0.001 . 2 . . . . 17 GLU HG2 . 17803 1 160 . 1 1 17 17 GLU HG3 H 1 2.303 0.001 . 2 . . . . 17 GLU HG3 . 17803 1 161 . 1 1 17 17 GLU CA C 13 57.854 0.001 . 1 . . . . 17 GLU CA . 17803 1 162 . 1 1 17 17 GLU CB C 13 27.674 0.002 . 1 . . . . 17 GLU CB . 17803 1 163 . 1 1 17 17 GLU CG C 13 33.304 0.001 . 1 . . . . 17 GLU CG . 17803 1 164 . 1 1 18 18 ASN H H 1 7.474 0.001 . 1 . . . . 18 ASN H . 17803 1 165 . 1 1 18 18 ASN HA H 1 4.390 0.001 . 1 . . . . 18 ASN HA . 17803 1 166 . 1 1 18 18 ASN HB2 H 1 2.564 0.001 . 2 . . . . 18 ASN HB2 . 17803 1 167 . 1 1 18 18 ASN HB3 H 1 2.481 0.002 . 2 . . . . 18 ASN HB3 . 17803 1 168 . 1 1 18 18 ASN HD21 H 1 7.119 0.001 . 2 . . . . 18 ASN HD21 . 17803 1 169 . 1 1 18 18 ASN HD22 H 1 6.336 0.001 . 2 . . . . 18 ASN HD22 . 17803 1 170 . 1 1 18 18 ASN CA C 13 54.955 0.001 . 1 . . . . 18 ASN CA . 17803 1 171 . 1 1 18 18 ASN CB C 13 38.497 0.001 . 1 . . . . 18 ASN CB . 17803 1 172 . 1 1 19 19 TYR H H 1 7.853 0.001 . 1 . . . . 19 TYR H . 17803 1 173 . 1 1 19 19 TYR HA H 1 4.379 0.001 . 1 . . . . 19 TYR HA . 17803 1 174 . 1 1 19 19 TYR HB2 H 1 3.251 0.002 . 2 . . . . 19 TYR HB2 . 17803 1 175 . 1 1 19 19 TYR HB3 H 1 2.965 0.001 . 2 . . . . 19 TYR HB3 . 17803 1 176 . 1 1 19 19 TYR HD1 H 1 7.242 0.002 . 3 . . . . 19 TYR QD . 17803 1 177 . 1 1 19 19 TYR HD2 H 1 7.242 0.002 . 3 . . . . 19 TYR QD . 17803 1 178 . 1 1 19 19 TYR HE1 H 1 6.720 0.001 . 3 . . . . 19 TYR QE . 17803 1 179 . 1 1 19 19 TYR HE2 H 1 6.720 0.001 . 3 . . . . 19 TYR QE . 17803 1 180 . 1 1 19 19 TYR CA C 13 59.467 0.001 . 1 . . . . 19 TYR CA . 17803 1 181 . 1 1 19 19 TYR CB C 13 38.086 0.001 . 1 . . . . 19 TYR CB . 17803 1 182 . 1 1 20 20 CYS H H 1 7.535 0.001 . 1 . . . . 20 CYS H . 17803 1 183 . 1 1 20 20 CYS HA H 1 4.562 0.001 . 1 . . . . 20 CYS HA . 17803 1 184 . 1 1 20 20 CYS HB2 H 1 3.151 0.003 . 2 . . . . 20 CYS HB2 . 17803 1 185 . 1 1 20 20 CYS HB3 H 1 2.815 0.002 . 2 . . . . 20 CYS HB3 . 17803 1 186 . 1 1 20 20 CYS CA C 13 54.523 0.001 . 1 . . . . 20 CYS CA . 17803 1 187 . 1 1 20 20 CYS CB C 13 36.967 0.001 . 1 . . . . 20 CYS CB . 17803 1 188 . 1 1 21 21 ASN H H 1 7.968 0.001 . 1 . . . . 21 ASN H . 17803 1 189 . 1 1 21 21 ASN HA H 1 4.713 0.002 . 1 . . . . 21 ASN HA . 17803 1 190 . 1 1 21 21 ASN HB2 H 1 2.795 0.003 . 2 . . . . 21 ASN HB2 . 17803 1 191 . 1 1 21 21 ASN HB3 H 1 2.649 0.001 . 2 . . . . 21 ASN HB3 . 17803 1 192 . 1 1 21 21 ASN HD21 H 1 7.407 0.001 . 2 . . . . 21 ASN HD21 . 17803 1 193 . 1 1 21 21 ASN HD22 H 1 6.670 0.001 . 2 . . . . 21 ASN HD22 . 17803 1 194 . 1 1 21 21 ASN CA C 13 53.087 0.001 . 1 . . . . 21 ASN CA . 17803 1 195 . 1 1 21 21 ASN CB C 13 38.930 0.001 . 1 . . . . 21 ASN CB . 17803 1 196 . 1 1 22 22 GLY H H 1 7.877 0.002 . 1 . . . . 22 GLY H . 17803 1 197 . 1 1 22 22 GLY HA2 H 1 3.933 0.001 . 2 . . . . 22 GLY QA . 17803 1 198 . 1 1 22 22 GLY HA3 H 1 3.933 0.001 . 2 . . . . 22 GLY QA . 17803 1 199 . 1 1 22 22 GLY CA C 13 43.161 0.001 . 1 . . . . 22 GLY CA . 17803 1 200 . 2 2 1 1 PHE HA H 1 4.251 0.001 . 1 . . . B 101 PHE HA . 17803 1 201 . 2 2 1 1 PHE HB2 H 1 3.173 0.001 . 2 . . . B 101 PHE HB2 . 17803 1 202 . 2 2 1 1 PHE HB3 H 1 3.116 0.001 . 2 . . . B 101 PHE HB3 . 17803 1 203 . 2 2 1 1 PHE HD1 H 1 7.249 0.001 . 3 . . . B 101 PHE HD1 . 17803 1 204 . 2 2 1 1 PHE HD2 H 1 7.249 0.001 . 3 . . . B 101 PHE HD2 . 17803 1 205 . 2 2 1 1 PHE HE1 H 1 7.363 0.001 . 3 . . . B 101 PHE HE1 . 17803 1 206 . 2 2 1 1 PHE HE2 H 1 7.363 0.001 . 3 . . . B 101 PHE HE2 . 17803 1 207 . 2 2 1 1 PHE HZ H 1 7.336 0.001 . 1 . . . B 101 PHE HZ . 17803 1 208 . 2 2 1 1 PHE CA C 13 56.812 0.001 . 1 . . . B 101 PHE CA . 17803 1 209 . 2 2 1 1 PHE CB C 13 39.497 0.004 . 1 . . . B 101 PHE CB . 17803 1 210 . 2 2 2 2 VAL H H 1 8.082 0.005 . 1 . . . B 102 VAL H . 17803 1 211 . 2 2 2 2 VAL HA H 1 4.078 0.002 . 1 . . . B 102 VAL HA . 17803 1 212 . 2 2 2 2 VAL HB H 1 1.942 0.002 . 1 . . . B 102 VAL HB . 17803 1 213 . 2 2 2 2 VAL HG11 H 1 0.858 0.004 . 1 . . . B 102 VAL HG11 . 17803 1 214 . 2 2 2 2 VAL HG12 H 1 0.858 0.004 . 1 . . . B 102 VAL HG12 . 17803 1 215 . 2 2 2 2 VAL HG13 H 1 0.858 0.004 . 1 . . . B 102 VAL HG13 . 17803 1 216 . 2 2 2 2 VAL HG21 H 1 0.858 0.004 . 1 . . . B 102 VAL HG21 . 17803 1 217 . 2 2 2 2 VAL HG22 H 1 0.858 0.004 . 1 . . . B 102 VAL HG22 . 17803 1 218 . 2 2 2 2 VAL HG23 H 1 0.858 0.004 . 1 . . . B 102 VAL HG23 . 17803 1 219 . 2 2 2 2 VAL CA C 13 61.731 0.001 . 1 . . . B 102 VAL CA . 17803 1 220 . 2 2 2 2 VAL CB C 13 33.216 0.001 . 1 . . . B 102 VAL CB . 17803 1 221 . 2 2 2 2 VAL CG1 C 13 20.990 0.001 . 2 . . . B 102 VAL CG1 . 17803 1 222 . 2 2 2 2 VAL CG2 C 13 20.412 0.001 . 2 . . . B 102 VAL CG2 . 17803 1 223 . 2 2 3 3 ASN H H 1 8.250 0.001 . 1 . . . B 103 ASN H . 17803 1 224 . 2 2 3 3 ASN HA H 1 4.620 0.002 . 1 . . . B 103 ASN HA . 17803 1 225 . 2 2 3 3 ASN HB2 H 1 2.752 0.001 . 2 . . . B 103 ASN HB2 . 17803 1 226 . 2 2 3 3 ASN HB3 H 1 2.673 0.001 . 2 . . . B 103 ASN HB3 . 17803 1 227 . 2 2 3 3 ASN HD21 H 1 7.451 0.001 . 2 . . . B 103 ASN HD21 . 17803 1 228 . 2 2 3 3 ASN HD22 H 1 6.766 0.001 . 2 . . . B 103 ASN HD22 . 17803 1 229 . 2 2 3 3 ASN CA C 13 53.007 0.001 . 1 . . . B 103 ASN CA . 17803 1 230 . 2 2 3 3 ASN CB C 13 38.594 0.001 . 1 . . . B 103 ASN CB . 17803 1 231 . 2 2 4 4 GLN H H 1 8.195 0.001 . 1 . . . B 104 GLN H . 17803 1 232 . 2 2 4 4 GLN HA H 1 4.356 0.002 . 1 . . . B 104 GLN HA . 17803 1 233 . 2 2 4 4 GLN HB2 H 1 2.078 0.001 . 2 . . . B 104 GLN HB2 . 17803 1 234 . 2 2 4 4 GLN HB3 H 1 1.781 0.004 . 2 . . . B 104 GLN HB3 . 17803 1 235 . 2 2 4 4 GLN HG2 H 1 2.187 0.002 . 2 . . . B 104 GLN HG2 . 17803 1 236 . 2 2 4 4 GLN HG3 H 1 2.187 0.002 . 2 . . . B 104 GLN HG3 . 17803 1 237 . 2 2 4 4 GLN HE21 H 1 7.318 0.001 . 2 . . . B 104 GLN HE21 . 17803 1 238 . 2 2 4 4 GLN HE22 H 1 6.617 0.001 . 2 . . . B 104 GLN HE22 . 17803 1 239 . 2 2 4 4 GLN CA C 13 55.166 0.001 . 1 . . . B 104 GLN CA . 17803 1 240 . 2 2 4 4 GLN CB C 13 30.801 0.001 . 1 . . . B 104 GLN CB . 17803 1 241 . 2 2 4 4 GLN CG C 13 33.656 0.001 . 1 . . . B 104 GLN CG . 17803 1 242 . 2 2 5 5 HIS H H 1 8.378 0.001 . 1 . . . B 105 HIS H . 17803 1 243 . 2 2 5 5 HIS HA H 1 4.433 0.002 . 1 . . . B 105 HIS HA . 17803 1 244 . 2 2 5 5 HIS HB2 H 1 3.511 0.002 . 2 . . . B 105 HIS HB2 . 17803 1 245 . 2 2 5 5 HIS HB3 H 1 3.221 0.002 . 2 . . . B 105 HIS HB3 . 17803 1 246 . 2 2 5 5 HIS HD2 H 1 7.343 0.001 . 1 . . . B 105 HIS HD2 . 17803 1 247 . 2 2 5 5 HIS HE1 H 1 8.486 0.001 . 1 . . . B 105 HIS HE1 . 17803 1 248 . 2 2 5 5 HIS CA C 13 56.416 0.001 . 1 . . . B 105 HIS CA . 17803 1 249 . 2 2 5 5 HIS CB C 13 28.407 0.001 . 1 . . . B 105 HIS CB . 17803 1 250 . 2 2 6 6 LEU H H 1 8.750 0.002 . 1 . . . B 106 LEU H . 17803 1 251 . 2 2 6 6 LEU HA H 1 4.430 0.001 . 1 . . . B 106 LEU HA . 17803 1 252 . 2 2 6 6 LEU HB2 H 1 1.668 0.001 . 2 . . . B 106 LEU HB2 . 17803 1 253 . 2 2 6 6 LEU HB3 H 1 0.976 0.005 . 2 . . . B 106 LEU HB3 . 17803 1 254 . 2 2 6 6 LEU HG H 1 1.532 0.002 . 1 . . . B 106 LEU HG . 17803 1 255 . 2 2 6 6 LEU HD11 H 1 0.835 0.001 . 1 . . . B 106 LEU HD11 . 17803 1 256 . 2 2 6 6 LEU HD12 H 1 0.835 0.001 . 1 . . . B 106 LEU HD12 . 17803 1 257 . 2 2 6 6 LEU HD13 H 1 0.835 0.001 . 1 . . . B 106 LEU HD13 . 17803 1 258 . 2 2 6 6 LEU HD21 H 1 0.725 0.004 . 1 . . . B 106 LEU HD21 . 17803 1 259 . 2 2 6 6 LEU HD22 H 1 0.725 0.004 . 1 . . . B 106 LEU HD22 . 17803 1 260 . 2 2 6 6 LEU HD23 H 1 0.725 0.004 . 1 . . . B 106 LEU HD23 . 17803 1 261 . 2 2 6 6 LEU CA C 13 54.052 0.001 . 1 . . . B 106 LEU CA . 17803 1 262 . 2 2 6 6 LEU CB C 13 44.573 0.001 . 1 . . . B 106 LEU CB . 17803 1 263 . 2 2 6 6 LEU CG C 13 25.984 0.001 . 1 . . . B 106 LEU CG . 17803 1 264 . 2 2 6 6 LEU CD1 C 13 25.789 0.001 . 2 . . . B 106 LEU CD1 . 17803 1 265 . 2 2 6 6 LEU CD2 C 13 23.780 0.001 . 2 . . . B 106 LEU CD2 . 17803 1 266 . 2 2 7 7 CYS H H 1 8.157 0.002 . 1 . . . B 107 CYS H . 17803 1 267 . 2 2 7 7 CYS HA H 1 4.863 0.001 . 1 . . . B 107 CYS HA . 17803 1 268 . 2 2 7 7 CYS HB2 H 1 3.172 0.001 . 2 . . . B 107 CYS HB2 . 17803 1 269 . 2 2 7 7 CYS HB3 H 1 2.939 0.001 . 2 . . . B 107 CYS HB3 . 17803 1 270 . 2 2 7 7 CYS CA C 13 54.116 0.001 . 1 . . . B 107 CYS CA . 17803 1 271 . 2 2 8 8 GLY H H 1 8.830 0.003 . 1 . . . B 108 GLY H . 17803 1 272 . 2 2 8 8 GLY HA2 H 1 3.948 0.001 . 2 . . . B 108 GLY HA2 . 17803 1 273 . 2 2 8 8 GLY HA3 H 1 3.764 0.007 . 2 . . . B 108 GLY HA3 . 17803 1 274 . 2 2 8 8 GLY CA C 13 46.525 0.001 . 1 . . . B 108 GLY CA . 17803 1 275 . 2 2 9 9 SER H H 1 8.850 0.002 . 1 . . . B 109 SER H . 17803 1 276 . 2 2 9 9 SER HA H 1 4.064 0.003 . 1 . . . B 109 SER HA . 17803 1 277 . 2 2 9 9 SER HB2 H 1 3.831 0.003 . 2 . . . B 109 SER HB2 . 17803 1 278 . 2 2 9 9 SER HB3 H 1 3.831 0.003 . 2 . . . B 109 SER HB3 . 17803 1 279 . 2 2 9 9 SER CA C 13 60.913 0.001 . 1 . . . B 109 SER CA . 17803 1 280 . 2 2 9 9 SER CB C 13 62.429 0.001 . 1 . . . B 109 SER CB . 17803 1 281 . 2 2 10 10 HIS H H 1 7.941 0.001 . 1 . . . B 110 HIS H . 17803 1 282 . 2 2 10 10 HIS HA H 1 4.477 0.005 . 1 . . . B 110 HIS HA . 17803 1 283 . 2 2 10 10 HIS HB2 H 1 3.492 0.002 . 2 . . . B 110 HIS HB2 . 17803 1 284 . 2 2 10 10 HIS HB3 H 1 3.239 0.001 . 2 . . . B 110 HIS HB3 . 17803 1 285 . 2 2 10 10 HIS HD2 H 1 7.411 0.001 . 1 . . . B 110 HIS HD2 . 17803 1 286 . 2 2 10 10 HIS HE1 H 1 8.628 0.001 . 1 . . . B 110 HIS HE1 . 17803 1 287 . 2 2 10 10 HIS CA C 13 57.353 0.001 . 1 . . . B 110 HIS CA . 17803 1 288 . 2 2 10 10 HIS CB C 13 27.968 0.001 . 1 . . . B 110 HIS CB . 17803 1 289 . 2 2 11 11 LEU H H 1 7.092 0.001 . 1 . . . B 111 LEU H . 17803 1 290 . 2 2 11 11 LEU HA H 1 3.988 0.002 . 1 . . . B 111 LEU HA . 17803 1 291 . 2 2 11 11 LEU HB2 H 1 1.838 0.002 . 2 . . . B 111 LEU HB2 . 17803 1 292 . 2 2 11 11 LEU HB3 H 1 1.213 0.002 . 2 . . . B 111 LEU HB3 . 17803 1 293 . 2 2 11 11 LEU HG H 1 1.367 0.003 . 1 . . . B 111 LEU HG . 17803 1 294 . 2 2 11 11 LEU HD11 H 1 0.791 0.001 . 1 . . . B 111 LEU HD11 . 17803 1 295 . 2 2 11 11 LEU HD12 H 1 0.791 0.001 . 1 . . . B 111 LEU HD12 . 17803 1 296 . 2 2 11 11 LEU HD13 H 1 0.791 0.001 . 1 . . . B 111 LEU HD13 . 17803 1 297 . 2 2 11 11 LEU HD21 H 1 0.740 0.001 . 1 . . . B 111 LEU HD21 . 17803 1 298 . 2 2 11 11 LEU HD22 H 1 0.740 0.001 . 1 . . . B 111 LEU HD22 . 17803 1 299 . 2 2 11 11 LEU HD23 H 1 0.740 0.001 . 1 . . . B 111 LEU HD23 . 17803 1 300 . 2 2 11 11 LEU CA C 13 57.353 0.001 . 1 . . . B 111 LEU CA . 17803 1 301 . 2 2 11 11 LEU CB C 13 40.323 0.002 . 1 . . . B 111 LEU CB . 17803 1 302 . 2 2 11 11 LEU CG C 13 27.184 0.001 . 1 . . . B 111 LEU CG . 17803 1 303 . 2 2 11 11 LEU CD1 C 13 25.352 0.001 . 2 . . . B 111 LEU CD1 . 17803 1 304 . 2 2 11 11 LEU CD2 C 13 22.654 0.001 . 2 . . . B 111 LEU CD2 . 17803 1 305 . 2 2 12 12 VAL H H 1 7.301 0.001 . 1 . . . B 112 VAL H . 17803 1 306 . 2 2 12 12 VAL HA H 1 3.393 0.003 . 1 . . . B 112 VAL HA . 17803 1 307 . 2 2 12 12 VAL HB H 1 2.039 0.001 . 1 . . . B 112 VAL HB . 17803 1 308 . 2 2 12 12 VAL HG11 H 1 0.955 0.001 . 1 . . . B 112 VAL HG11 . 17803 1 309 . 2 2 12 12 VAL HG12 H 1 0.955 0.001 . 1 . . . B 112 VAL HG12 . 17803 1 310 . 2 2 12 12 VAL HG13 H 1 0.955 0.001 . 1 . . . B 112 VAL HG13 . 17803 1 311 . 2 2 12 12 VAL HG21 H 1 0.899 0.001 . 1 . . . B 112 VAL HG21 . 17803 1 312 . 2 2 12 12 VAL HG22 H 1 0.899 0.001 . 1 . . . B 112 VAL HG22 . 17803 1 313 . 2 2 12 12 VAL HG23 H 1 0.899 0.001 . 1 . . . B 112 VAL HG23 . 17803 1 314 . 2 2 12 12 VAL CA C 13 66.584 0.001 . 1 . . . B 112 VAL CA . 17803 1 315 . 2 2 12 12 VAL CB C 13 31.635 0.001 . 1 . . . B 112 VAL CB . 17803 1 316 . 2 2 12 12 VAL CG1 C 13 22.233 0.001 . 2 . . . B 112 VAL CG1 . 17803 1 317 . 2 2 12 12 VAL CG2 C 13 21.315 0.001 . 2 . . . B 112 VAL CG2 . 17803 1 318 . 2 2 13 13 GLU H H 1 7.933 0.001 . 1 . . . B 113 GLU H . 17803 1 319 . 2 2 13 13 GLU HA H 1 4.040 0.002 . 1 . . . B 113 GLU HA . 17803 1 320 . 2 2 13 13 GLU HB2 H 1 2.121 0.002 . 2 . . . B 113 GLU HB2 . 17803 1 321 . 2 2 13 13 GLU HB3 H 1 2.046 0.002 . 2 . . . B 113 GLU HB3 . 17803 1 322 . 2 2 13 13 GLU HG2 H 1 2.498 0.001 . 2 . . . B 113 GLU HG2 . 17803 1 323 . 2 2 13 13 GLU HG3 H 1 2.498 0.001 . 2 . . . B 113 GLU HG3 . 17803 1 324 . 2 2 13 13 GLU CA C 13 58.639 0.001 . 1 . . . B 113 GLU CA . 17803 1 325 . 2 2 13 13 GLU CB C 13 27.879 0.001 . 1 . . . B 113 GLU CB . 17803 1 326 . 2 2 13 13 GLU CG C 13 32.619 0.001 . 1 . . . B 113 GLU CG . 17803 1 327 . 2 2 14 14 ALA H H 1 7.757 0.001 . 1 . . . B 114 ALA H . 17803 1 328 . 2 2 14 14 ALA HA H 1 4.048 0.001 . 1 . . . B 114 ALA HA . 17803 1 329 . 2 2 14 14 ALA HB1 H 1 1.440 0.001 . 1 . . . B 114 ALA HB1 . 17803 1 330 . 2 2 14 14 ALA HB2 H 1 1.440 0.001 . 1 . . . B 114 ALA HB2 . 17803 1 331 . 2 2 14 14 ALA HB3 H 1 1.440 0.001 . 1 . . . B 114 ALA HB3 . 17803 1 332 . 2 2 14 14 ALA CA C 13 55.225 0.001 . 1 . . . B 114 ALA CA . 17803 1 333 . 2 2 14 14 ALA CB C 13 18.906 0.001 . 1 . . . B 114 ALA CB . 17803 1 334 . 2 2 15 15 LEU H H 1 8.100 0.001 . 1 . . . B 115 LEU H . 17803 1 335 . 2 2 15 15 LEU HA H 1 3.943 0.002 . 1 . . . B 115 LEU HA . 17803 1 336 . 2 2 15 15 LEU HB3 H 1 1.251 0.010 . 2 . . . B 115 LEU HB3 . 17803 1 337 . 2 2 15 15 LEU HG H 1 1.594 0.007 . 1 . . . B 115 LEU HG . 17803 1 338 . 2 2 15 15 LEU HD11 H 1 0.711 0.001 . 1 . . . B 115 LEU HD11 . 17803 1 339 . 2 2 15 15 LEU HD12 H 1 0.711 0.001 . 1 . . . B 115 LEU HD12 . 17803 1 340 . 2 2 15 15 LEU HD13 H 1 0.711 0.001 . 1 . . . B 115 LEU HD13 . 17803 1 341 . 2 2 15 15 LEU HD21 H 1 0.610 0.001 . 1 . . . B 115 LEU HD21 . 17803 1 342 . 2 2 15 15 LEU HD22 H 1 0.610 0.001 . 1 . . . B 115 LEU HD22 . 17803 1 343 . 2 2 15 15 LEU HD23 H 1 0.610 0.001 . 1 . . . B 115 LEU HD23 . 17803 1 344 . 2 2 15 15 LEU CA C 13 57.628 0.001 . 1 . . . B 115 LEU CA . 17803 1 345 . 2 2 15 15 LEU CB C 13 41.532 0.001 . 1 . . . B 115 LEU CB . 17803 1 346 . 2 2 15 15 LEU CG C 13 26.982 0.001 . 1 . . . B 115 LEU CG . 17803 1 347 . 2 2 15 15 LEU CD1 C 13 24.229 0.001 . 2 . . . B 115 LEU CD1 . 17803 1 348 . 2 2 15 15 LEU CD2 C 13 25.581 0.001 . 2 . . . B 115 LEU CD2 . 17803 1 349 . 2 2 16 16 TYR H H 1 8.152 0.001 . 1 . . . B 116 TYR H . 17803 1 350 . 2 2 16 16 TYR HA H 1 4.149 0.002 . 1 . . . B 116 TYR HA . 17803 1 351 . 2 2 16 16 TYR HB2 H 1 3.088 0.002 . 2 . . . B 116 TYR HB2 . 17803 1 352 . 2 2 16 16 TYR HB3 H 1 3.088 0.002 . 2 . . . B 116 TYR HB3 . 17803 1 353 . 2 2 16 16 TYR HD1 H 1 7.066 0.003 . 3 . . . B 116 TYR HD1 . 17803 1 354 . 2 2 16 16 TYR HD2 H 1 7.066 0.003 . 3 . . . B 116 TYR HD2 . 17803 1 355 . 2 2 16 16 TYR HE1 H 1 6.717 0.001 . 3 . . . B 116 TYR HE1 . 17803 1 356 . 2 2 16 16 TYR HE2 H 1 6.717 0.001 . 3 . . . B 116 TYR HE2 . 17803 1 357 . 2 2 16 16 TYR CA C 13 61.284 0.001 . 1 . . . B 116 TYR CA . 17803 1 358 . 2 2 16 16 TYR CB C 13 37.896 0.001 . 1 . . . B 116 TYR CB . 17803 1 359 . 2 2 17 17 LEU H H 1 7.913 0.002 . 1 . . . B 117 LEU H . 17803 1 360 . 2 2 17 17 LEU HA H 1 4.037 0.003 . 1 . . . B 117 LEU HA . 17803 1 361 . 2 2 17 17 LEU HB2 H 1 1.877 0.003 . 2 . . . B 117 LEU HB2 . 17803 1 362 . 2 2 17 17 LEU HB3 H 1 1.596 0.002 . 2 . . . B 117 LEU HB3 . 17803 1 363 . 2 2 17 17 LEU HG H 1 1.832 0.002 . 1 . . . B 117 LEU HG . 17803 1 364 . 2 2 17 17 LEU HD11 H 1 0.925 0.001 . 1 . . . B 117 LEU HD11 . 17803 1 365 . 2 2 17 17 LEU HD12 H 1 0.925 0.001 . 1 . . . B 117 LEU HD12 . 17803 1 366 . 2 2 17 17 LEU HD13 H 1 0.925 0.001 . 1 . . . B 117 LEU HD13 . 17803 1 367 . 2 2 17 17 LEU HD21 H 1 0.896 0.001 . 1 . . . B 117 LEU HD21 . 17803 1 368 . 2 2 17 17 LEU HD22 H 1 0.896 0.001 . 1 . . . B 117 LEU HD22 . 17803 1 369 . 2 2 17 17 LEU HD23 H 1 0.896 0.001 . 1 . . . B 117 LEU HD23 . 17803 1 370 . 2 2 17 17 LEU CA C 13 57.571 0.001 . 1 . . . B 117 LEU CA . 17803 1 371 . 2 2 17 17 LEU CB C 13 42.254 0.001 . 1 . . . B 117 LEU CB . 17803 1 372 . 2 2 17 17 LEU CG C 13 26.926 0.001 . 1 . . . B 117 LEU CG . 17803 1 373 . 2 2 17 17 LEU CD1 C 13 24.999 0.001 . 2 . . . B 117 LEU CD1 . 17803 1 374 . 2 2 17 17 LEU CD2 C 13 23.472 0.001 . 2 . . . B 117 LEU CD2 . 17803 1 375 . 2 2 18 18 VAL H H 1 8.390 0.001 . 1 . . . B 118 VAL H . 17803 1 376 . 2 2 18 18 VAL HA H 1 3.814 0.003 . 1 . . . B 118 VAL HA . 17803 1 377 . 2 2 18 18 VAL HB H 1 2.086 0.001 . 1 . . . B 118 VAL HB . 17803 1 378 . 2 2 18 18 VAL HG11 H 1 0.996 0.001 . 1 . . . B 118 VAL HG11 . 17803 1 379 . 2 2 18 18 VAL HG12 H 1 0.996 0.001 . 1 . . . B 118 VAL HG12 . 17803 1 380 . 2 2 18 18 VAL HG13 H 1 0.996 0.001 . 1 . . . B 118 VAL HG13 . 17803 1 381 . 2 2 18 18 VAL HG21 H 1 0.864 0.001 . 1 . . . B 118 VAL HG21 . 17803 1 382 . 2 2 18 18 VAL HG22 H 1 0.864 0.001 . 1 . . . B 118 VAL HG22 . 17803 1 383 . 2 2 18 18 VAL HG23 H 1 0.864 0.001 . 1 . . . B 118 VAL HG23 . 17803 1 384 . 2 2 18 18 VAL CA C 13 65.212 0.001 . 1 . . . B 118 VAL CA . 17803 1 385 . 2 2 18 18 VAL CB C 13 32.253 0.001 . 1 . . . B 118 VAL CB . 17803 1 386 . 2 2 18 18 VAL CG1 C 13 22.409 0.001 . 2 . . . B 118 VAL CG1 . 17803 1 387 . 2 2 18 18 VAL CG2 C 13 21.531 0.001 . 2 . . . B 118 VAL CG2 . 17803 1 388 . 2 2 19 19 CYS H H 1 8.604 0.001 . 1 . . . B 119 CYS H . 17803 1 389 . 2 2 19 19 CYS HA H 1 4.680 0.002 . 1 . . . B 119 CYS HA . 17803 1 390 . 2 2 19 19 CYS HB2 H 1 3.161 0.001 . 2 . . . B 119 CYS HB2 . 17803 1 391 . 2 2 19 19 CYS HB3 H 1 2.913 0.002 . 2 . . . B 119 CYS HB3 . 17803 1 392 . 2 2 19 19 CYS CA C 13 54.674 0.001 . 1 . . . B 119 CYS CA . 17803 1 393 . 2 2 19 19 CYS CB C 13 36.674 0.001 . 1 . . . B 119 CYS CB . 17803 1 394 . 2 2 20 20 GLY H H 1 7.797 0.002 . 1 . . . B 120 GLY H . 17803 1 395 . 2 2 20 20 GLY HA2 H 1 3.852 0.003 . 2 . . . B 120 GLY HA2 . 17803 1 396 . 2 2 20 20 GLY HA3 H 1 3.852 0.003 . 2 . . . B 120 GLY HA3 . 17803 1 397 . 2 2 20 20 GLY CA C 13 46.148 0.001 . 1 . . . B 120 GLY CA . 17803 1 398 . 2 2 21 21 GLU H H 1 8.021 0.001 . 1 . . . B 121 GLU H . 17803 1 399 . 2 2 21 21 GLU HA H 1 4.197 0.003 . 1 . . . B 121 GLU HA . 17803 1 400 . 2 2 21 21 GLU HB2 H 1 2.132 0.001 . 2 . . . B 121 GLU HB2 . 17803 1 401 . 2 2 21 21 GLU HB3 H 1 2.041 0.001 . 2 . . . B 121 GLU HB3 . 17803 1 402 . 2 2 21 21 GLU HG2 H 1 2.487 0.001 . 2 . . . B 121 GLU HG2 . 17803 1 403 . 2 2 21 21 GLU HG3 H 1 2.435 0.001 . 2 . . . B 121 GLU HG3 . 17803 1 404 . 2 2 21 21 GLU CA C 13 56.540 0.001 . 1 . . . B 121 GLU CA . 17803 1 405 . 2 2 21 21 GLU CB C 13 28.065 0.001 . 1 . . . B 121 GLU CB . 17803 1 406 . 2 2 21 21 GLU CG C 13 32.842 0.001 . 1 . . . B 121 GLU CG . 17803 1 407 . 2 2 22 22 ARG H H 1 7.814 0.003 . 1 . . . B 122 ARG H . 17803 1 408 . 2 2 22 22 ARG HA H 1 4.179 0.004 . 1 . . . B 122 ARG HA . 17803 1 409 . 2 2 22 22 ARG HB2 H 1 1.892 0.001 . 2 . . . B 122 ARG HB2 . 17803 1 410 . 2 2 22 22 ARG HB3 H 1 1.829 0.001 . 2 . . . B 122 ARG HB3 . 17803 1 411 . 2 2 22 22 ARG HG2 H 1 1.660 0.001 . 2 . . . B 122 ARG HG2 . 17803 1 412 . 2 2 22 22 ARG HG3 H 1 1.660 0.001 . 2 . . . B 122 ARG HG3 . 17803 1 413 . 2 2 22 22 ARG HD2 H 1 3.169 0.001 . 2 . . . B 122 ARG HD2 . 17803 1 414 . 2 2 22 22 ARG HD3 H 1 3.169 0.001 . 2 . . . B 122 ARG HD3 . 17803 1 415 . 2 2 22 22 ARG CA C 13 56.897 0.001 . 1 . . . B 122 ARG CA . 17803 1 416 . 2 2 22 22 ARG CB C 13 30.434 0.001 . 1 . . . B 122 ARG CB . 17803 1 417 . 2 2 22 22 ARG CG C 13 27.148 0.001 . 1 . . . B 122 ARG CG . 17803 1 418 . 2 2 22 22 ARG CD C 13 43.433 0.001 . 1 . . . B 122 ARG CD . 17803 1 419 . 2 2 23 23 GLY H H 1 7.835 0.001 . 1 . . . B 123 GLY H . 17803 1 420 . 2 2 23 23 GLY HA2 H 1 3.830 0.001 . 2 . . . B 123 GLY HA2 . 17803 1 421 . 2 2 23 23 GLY HA3 H 1 3.797 0.005 . 2 . . . B 123 GLY HA3 . 17803 1 422 . 2 2 23 23 GLY CA C 13 45.212 0.003 . 1 . . . B 123 GLY CA . 17803 1 423 . 2 2 24 24 PHE H H 1 7.686 0.001 . 1 . . . B 124 PHE H . 17803 1 424 . 2 2 24 24 PHE HA H 1 4.554 0.004 . 1 . . . B 124 PHE HA . 17803 1 425 . 2 2 24 24 PHE HB2 H 1 2.952 0.003 . 2 . . . B 124 PHE HB2 . 17803 1 426 . 2 2 24 24 PHE HB3 H 1 2.852 0.004 . 2 . . . B 124 PHE HB3 . 17803 1 427 . 2 2 24 24 PHE HD1 H 1 7.016 0.002 . 3 . . . B 124 PHE HD1 . 17803 1 428 . 2 2 24 24 PHE HD2 H 1 7.016 0.002 . 3 . . . B 124 PHE HD2 . 17803 1 429 . 2 2 24 24 PHE HE1 H 1 7.172 0.001 . 3 . . . B 124 PHE HE1 . 17803 1 430 . 2 2 24 24 PHE HE2 H 1 7.172 0.001 . 3 . . . B 124 PHE HE2 . 17803 1 431 . 2 2 24 24 PHE CA C 13 57.636 0.001 . 1 . . . B 124 PHE CA . 17803 1 432 . 2 2 24 24 PHE CB C 13 39.908 0.002 . 1 . . . B 124 PHE CB . 17803 1 433 . 2 2 25 25 PHE H H 1 7.897 0.002 . 1 . . . B 125 PHE H . 17803 1 434 . 2 2 25 25 PHE HA H 1 4.528 0.001 . 1 . . . B 125 PHE HA . 17803 1 435 . 2 2 25 25 PHE HB2 H 1 3.052 0.002 . 2 . . . B 125 PHE HB2 . 17803 1 436 . 2 2 25 25 PHE HB3 H 1 2.903 0.002 . 2 . . . B 125 PHE HB3 . 17803 1 437 . 2 2 25 25 PHE HD1 H 1 7.170 0.001 . 3 . . . B 125 PHE HD1 . 17803 1 438 . 2 2 25 25 PHE HD2 H 1 7.170 0.001 . 3 . . . B 125 PHE HD2 . 17803 1 439 . 2 2 25 25 PHE HE1 H 1 7.278 0.001 . 3 . . . B 125 PHE HE1 . 17803 1 440 . 2 2 25 25 PHE HE2 H 1 7.278 0.001 . 3 . . . B 125 PHE HE2 . 17803 1 441 . 2 2 25 25 PHE HZ H 1 7.239 0.001 . 1 . . . B 125 PHE HZ . 17803 1 442 . 2 2 25 25 PHE CA C 13 57.422 0.001 . 1 . . . B 125 PHE CA . 17803 1 443 . 2 2 25 25 PHE CB C 13 39.760 0.002 . 1 . . . B 125 PHE CB . 17803 1 444 . 2 2 26 26 TYR H H 1 7.764 0.002 . 1 . . . B 126 TYR H . 17803 1 445 . 2 2 26 26 TYR HA H 1 4.547 0.001 . 1 . . . B 126 TYR HA . 17803 1 446 . 2 2 26 26 TYR HB2 H 1 2.960 0.001 . 2 . . . B 126 TYR HB2 . 17803 1 447 . 2 2 26 26 TYR HB3 H 1 2.882 0.002 . 2 . . . B 126 TYR HB3 . 17803 1 448 . 2 2 26 26 TYR HD1 H 1 7.043 0.004 . 3 . . . B 126 TYR HD1 . 17803 1 449 . 2 2 26 26 TYR HD2 H 1 7.043 0.004 . 3 . . . B 126 TYR HD2 . 17803 1 450 . 2 2 26 26 TYR HE1 H 1 6.760 0.003 . 3 . . . B 126 TYR HE1 . 17803 1 451 . 2 2 26 26 TYR HE2 H 1 6.760 0.003 . 3 . . . B 126 TYR HE2 . 17803 1 452 . 2 2 26 26 TYR CA C 13 57.672 0.001 . 1 . . . B 126 TYR CA . 17803 1 453 . 2 2 26 26 TYR CB C 13 39.094 0.001 . 1 . . . B 126 TYR CB . 17803 1 454 . 2 2 27 27 THR H H 1 7.663 0.001 . 1 . . . B 127 THR H . 17803 1 455 . 2 2 27 27 THR HA H 1 4.537 0.001 . 1 . . . B 127 THR HA . 17803 1 456 . 2 2 27 27 THR HB H 1 4.064 0.002 . 1 . . . B 127 THR HB . 17803 1 457 . 2 2 27 27 THR HG21 H 1 1.156 0.001 . 1 . . . B 127 THR HG21 . 17803 1 458 . 2 2 27 27 THR HG22 H 1 1.156 0.001 . 1 . . . B 127 THR HG22 . 17803 1 459 . 2 2 27 27 THR HG23 H 1 1.156 0.001 . 1 . . . B 127 THR HG23 . 17803 1 460 . 2 2 27 27 THR CA C 13 58.979 0.001 . 1 . . . B 127 THR CA . 17803 1 461 . 2 2 27 27 THR CB C 13 69.810 0.001 . 1 . . . B 127 THR CB . 17803 1 462 . 2 2 27 27 THR CG2 C 13 21.178 0.001 . 1 . . . B 127 THR CG2 . 17803 1 463 . 2 2 28 28 PRO HA H 1 4.310 0.001 . 1 . . . B 128 PRO HA . 17803 1 464 . 2 2 28 28 PRO HB2 H 1 2.239 0.002 . 2 . . . B 128 PRO HB2 . 17803 1 465 . 2 2 28 28 PRO HB3 H 1 1.888 0.001 . 2 . . . B 128 PRO HB3 . 17803 1 466 . 2 2 28 28 PRO HG2 H 1 1.962 0.001 . 2 . . . B 128 PRO HG2 . 17803 1 467 . 2 2 28 28 PRO HG3 H 1 1.921 0.001 . 2 . . . B 128 PRO HG3 . 17803 1 468 . 2 2 28 28 PRO HD2 H 1 3.639 0.004 . 2 . . . B 128 PRO HD2 . 17803 1 469 . 2 2 28 28 PRO HD3 H 1 3.639 0.004 . 2 . . . B 128 PRO HD3 . 17803 1 470 . 2 2 28 28 PRO CA C 13 63.098 0.001 . 1 . . . B 128 PRO CA . 17803 1 471 . 2 2 28 28 PRO CB C 13 32.057 0.001 . 1 . . . B 128 PRO CB . 17803 1 472 . 2 2 28 28 PRO CG C 13 27.312 0.001 . 1 . . . B 128 PRO CG . 17803 1 473 . 2 2 28 28 PRO CD C 13 50.865 0.001 . 1 . . . B 128 PRO CD . 17803 1 474 . 2 2 29 29 LYS H H 1 8.102 0.002 . 1 . . . B 129 LYS H . 17803 1 475 . 2 2 29 29 LYS HA H 1 4.297 0.001 . 1 . . . B 129 LYS HA . 17803 1 476 . 2 2 29 29 LYS HB2 H 1 1.814 0.001 . 2 . . . B 129 LYS HB2 . 17803 1 477 . 2 2 29 29 LYS HB3 H 1 1.707 0.001 . 2 . . . B 129 LYS HB3 . 17803 1 478 . 2 2 29 29 LYS HG2 H 1 1.410 0.001 . 2 . . . B 129 LYS HG2 . 17803 1 479 . 2 2 29 29 LYS HG3 H 1 1.410 0.001 . 2 . . . B 129 LYS HG3 . 17803 1 480 . 2 2 29 29 LYS HD2 H 1 1.629 0.001 . 2 . . . B 129 LYS HD2 . 17803 1 481 . 2 2 29 29 LYS HD3 H 1 1.629 0.001 . 2 . . . B 129 LYS HD3 . 17803 1 482 . 2 2 29 29 LYS HE2 H 1 2.920 0.001 . 2 . . . B 129 LYS HE2 . 17803 1 483 . 2 2 29 29 LYS HE3 H 1 2.920 0.001 . 2 . . . B 129 LYS HE3 . 17803 1 484 . 2 2 29 29 LYS CA C 13 56.102 0.001 . 1 . . . B 129 LYS CA . 17803 1 485 . 2 2 29 29 LYS CB C 13 32.985 0.001 . 1 . . . B 129 LYS CB . 17803 1 486 . 2 2 29 29 LYS CG C 13 24.771 0.001 . 1 . . . B 129 LYS CG . 17803 1 487 . 2 2 29 29 LYS CD C 13 28.753 0.001 . 1 . . . B 129 LYS CD . 17803 1 488 . 2 2 29 29 LYS CE C 13 41.863 0.001 . 1 . . . B 129 LYS CE . 17803 1 489 . 2 2 30 30 THR H H 1 7.825 0.001 . 1 . . . B 130 THR H . 17803 1 490 . 2 2 30 30 THR HA H 1 4.274 0.002 . 1 . . . B 130 THR HA . 17803 1 491 . 2 2 30 30 THR HB H 1 4.155 0.005 . 1 . . . B 130 THR HB . 17803 1 492 . 2 2 30 30 THR HG21 H 1 1.169 0.001 . 1 . . . B 130 THR HG21 . 17803 1 493 . 2 2 30 30 THR HG22 H 1 1.169 0.001 . 1 . . . B 130 THR HG22 . 17803 1 494 . 2 2 30 30 THR HG23 H 1 1.169 0.001 . 1 . . . B 130 THR HG23 . 17803 1 495 . 2 2 30 30 THR CA C 13 61.513 0.001 . 1 . . . B 130 THR CA . 17803 1 496 . 2 2 30 30 THR CB C 13 69.787 0.001 . 1 . . . B 130 THR CB . 17803 1 497 . 2 2 30 30 THR CG2 C 13 21.567 0.001 . 1 . . . B 130 THR CG2 . 17803 1 498 . 2 2 31 31 ARG H H 1 8.093 0.001 . 1 . . . B 131 ARG H . 17803 1 499 . 2 2 31 31 ARG HA H 1 4.336 0.001 . 1 . . . B 131 ARG HA . 17803 1 500 . 2 2 31 31 ARG HB2 H 1 1.890 0.001 . 2 . . . B 131 ARG HB2 . 17803 1 501 . 2 2 31 31 ARG HB3 H 1 1.745 0.001 . 2 . . . B 131 ARG HB3 . 17803 1 502 . 2 2 31 31 ARG HG2 H 1 1.609 0.001 . 2 . . . B 131 ARG HG2 . 17803 1 503 . 2 2 31 31 ARG HG3 H 1 1.609 0.001 . 2 . . . B 131 ARG HG3 . 17803 1 504 . 2 2 31 31 ARG HD2 H 1 3.153 0.001 . 2 . . . B 131 ARG HD2 . 17803 1 505 . 2 2 31 31 ARG HD3 H 1 3.153 0.001 . 2 . . . B 131 ARG HD3 . 17803 1 506 . 2 2 31 31 ARG CA C 13 55.130 0.001 . 1 . . . B 131 ARG CA . 17803 1 507 . 2 2 31 31 ARG CB C 13 30.677 0.001 . 1 . . . B 131 ARG CB . 17803 1 508 . 2 2 31 31 ARG CG C 13 27.068 0.001 . 1 . . . B 131 ARG CG . 17803 1 509 . 2 2 31 31 ARG CD C 13 43.234 0.001 . 1 . . . B 131 ARG CD . 17803 1 stop_ save_