################################### # 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 17172 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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-15N HSQC' . . . 17172 1 2 '2D 1H-1H TOCSY' . . . 17172 1 3 '2D 1H-1H NOESY' . . . 17172 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 3 3 THR H H 1 8.355 0.005 . 1 . . . . 3 THR H . 17172 1 2 . 1 1 3 3 THR N N 15 117.9 0.2 . 1 . . . . 3 THR N . 17172 1 3 . 1 1 4 4 ALA H H 1 8.874 0.005 . 1 . . . . 4 ALA H . 17172 1 4 . 1 1 4 4 ALA N N 15 124.0 0.005 . 1 . . . . 4 ALA N . 17172 1 5 . 1 1 5 5 ALA H H 1 8.636 0.005 . 1 . . . . 5 ALA H . 17172 1 6 . 1 1 5 5 ALA N N 15 120.8 0.2 . 1 . . . . 5 ALA N . 17172 1 7 . 1 1 6 6 ALA H H 1 7.879 0.005 . 1 . . . . 6 ALA H . 17172 1 8 . 1 1 6 6 ALA N N 15 122.6 0.2 . 1 . . . . 6 ALA N . 17172 1 9 . 1 1 7 7 LYS H H 1 8.654 0.005 . 1 . . . . 7 LYS H . 17172 1 10 . 1 1 7 7 LYS N N 15 122.5 0.2 . 1 . . . . 7 LYS N . 17172 1 11 . 1 1 9 9 GLU H H 1 7.738 0.005 . 1 . . . . 9 GLU H . 17172 1 12 . 1 1 9 9 GLU N N 15 119.0 0.2 . 1 . . . . 9 GLU N . 17172 1 13 . 1 1 10 10 ARG H H 1 8.23 0.005 . 1 . . . . 10 ARG H . 17172 1 14 . 1 1 10 10 ARG N N 15 120.2 0.2 . 1 . . . . 10 ARG N . 17172 1 15 . 1 1 11 11 GLN H H 1 8.435 0.005 . 1 . . . . 11 GLN H . 17172 1 16 . 1 1 11 11 GLN N N 15 111.6 0.2 . 1 . . . . 11 GLN N . 17172 1 17 . 1 1 12 12 HIS H H 1 7.702 0.005 . 1 . . . . 12 HIS H . 17172 1 18 . 1 1 13 13 MET H H 1 7.899 0.005 . 1 . . . . 13 MET H . 17172 1 19 . 1 1 13 13 MET N N 15 116.2 0.2 . 1 . . . . 13 MET N . 17172 1 20 . 1 1 14 14 ASP H H 1 8.805 0.005 . 1 . . . . 14 ASP H . 17172 1 21 . 1 1 14 14 ASP N N 15 121.1 0.2 . 1 . . . . 14 ASP N . 17172 1 22 . 1 1 15 15 SER H H 1 8.786 0.005 . 1 . . . . 15 SER H . 17172 1 23 . 1 1 15 15 SER N N 15 118.8 0.2 . 1 . . . . 15 SER N . 17172 1 24 . 1 1 16 16 SER H H 1 8.015 0.005 . 1 . . . . 16 SER H . 17172 1 25 . 1 1 16 16 SER N N 15 115.3 0.2 . 1 . . . . 16 SER N . 17172 1 26 . 1 1 17 17 THR H H 1 7.332 0.005 . 1 . . . . 17 THR H . 17172 1 27 . 1 1 17 17 THR N N 15 114.2 0.2 . 1 . . . . 17 THR N . 17172 1 28 . 1 1 19 19 ALA H H 1 7.438 0.005 . 1 . . . . 19 ALA H . 17172 1 29 . 1 1 19 19 ALA N N 15 122.5 0.2 . 1 . . . . 19 ALA N . 17172 1 30 . 1 1 22 22 SER H H 1 7.572 0.005 . 1 . . . . 22 SER H . 17172 1 31 . 1 1 22 22 SER N N 15 114.1 0.2 . 1 . . . . 22 SER N . 17172 1 32 . 1 1 25 25 TYR H H 1 7.563 0.005 . 1 . . . . 25 TYR H . 17172 1 33 . 1 1 25 25 TYR N N 15 120.7 0.2 . 1 . . . . 25 TYR N . 17172 1 34 . 1 1 26 26 CYS H H 1 7.815 0.005 . 1 . . . . 26 CYS H . 17172 1 35 . 1 1 26 26 CYS N N 15 114.4 0.2 . 1 . . . . 26 CYS N . 17172 1 36 . 1 1 27 27 ASN H H 1 7.88 0.005 . 1 . . . . 27 ASN H . 17172 1 37 . 1 1 27 27 ASN N N 15 119.7 0.2 . 1 . . . . 27 ASN N . 17172 1 38 . 1 1 28 28 GLN H H 1 7.436 0.005 . 1 . . . . 28 GLN H . 17172 1 39 . 1 1 28 28 GLN N N 15 116.7 0.2 . 1 . . . . 28 GLN N . 17172 1 40 . 1 1 29 29 MET H H 1 8.496 0.005 . 1 . . . . 29 MET H . 17172 1 41 . 1 1 29 29 MET N N 15 119.7 0.2 . 1 . . . . 29 MET N . 17172 1 42 . 1 1 30 30 MET H H 1 8.592 0.005 . 1 . . . . 30 MET H . 17172 1 43 . 1 1 30 30 MET N N 15 115.8 0.2 . 1 . . . . 30 MET N . 17172 1 44 . 1 1 31 31 LYS H H 1 6.407 0.005 . 1 . . . . 31 LYS H . 17172 1 45 . 1 1 31 31 LYS N N 15 115.3 0.2 . 1 . . . . 31 LYS N . 17172 1 46 . 1 1 32 32 SER H H 1 8.513 0.005 . 1 . . . . 32 SER H . 17172 1 47 . 1 1 32 32 SER N N 15 117.0 0.2 . 1 . . . . 32 SER N . 17172 1 48 . 1 1 33 33 ARG H H 1 7.768 0.005 . 1 . . . . 33 ARG H . 17172 1 49 . 1 1 33 33 ARG N N 15 116.5 0.2 . 1 . . . . 33 ARG N . 17172 1 50 . 1 1 34 34 ASN H H 1 7.835 0.005 . 1 . . . . 34 ASN H . 17172 1 51 . 1 1 34 34 ASN N N 15 112.8 0.2 . 1 . . . . 34 ASN N . 17172 1 52 . 1 1 36 36 THR H H 1 7.532 0.005 . 1 . . . . 36 THR H . 17172 1 53 . 1 1 36 36 THR N N 15 107.0 0.2 . 1 . . . . 36 THR N . 17172 1 54 . 1 1 37 37 LYS H H 1 6.897 0.005 . 1 . . . . 37 LYS H . 17172 1 55 . 1 1 37 37 LYS N N 15 121.6 0.2 . 1 . . . . 37 LYS N . 17172 1 56 . 1 1 39 39 ARG H H 1 7.635 0.005 . 1 . . . . 39 ARG H . 17172 1 57 . 1 1 39 39 ARG N N 15 115.6 0.2 . 1 . . . . 39 ARG N . 17172 1 58 . 1 1 40 40 CYS H H 1 8.958 0.005 . 1 . . . . 40 CYS H . 17172 1 59 . 1 1 40 40 CYS N N 15 117.2 0.2 . 1 . . . . 40 CYS N . 17172 1 60 . 1 1 41 41 LYS H H 1 7.262 0.005 . 1 . . . . 41 LYS H . 17172 1 61 . 1 1 41 41 LYS N N 15 128.9 0.2 . 1 . . . . 41 LYS N . 17172 1 62 . 1 1 42 42 PRO HA H 1 4.62 0.005 . 1 . . . . 42 PRO HA . 17172 1 63 . 1 1 43 43 VAL H H 1 6.911 0.005 . 1 . . . . 43 VAL H . 17172 1 64 . 1 1 43 43 VAL N N 15 110.9 0.02 . 1 . . . . 43 VAL N . 17172 1 65 . 1 1 44 44 ASN H H 1 8.575 0.005 . 1 . . . . 44 ASN H . 17172 1 66 . 1 1 44 44 ASN N N 15 119.8 0.2 . 1 . . . . 44 ASN N . 17172 1 67 . 1 1 45 45 THR H H 1 7.193 0.005 . 1 . . . . 45 THR H . 17172 1 68 . 1 1 45 45 THR N N 15 120.9 0.2 . 1 . . . . 45 THR N . 17172 1 69 . 1 1 46 46 PHE H H 1 9.173 0.005 . 1 . . . . 46 PHE H . 17172 1 70 . 1 1 46 46 PHE N N 15 124.3 0.2 . 1 . . . . 46 PHE N . 17172 1 71 . 1 1 49 49 GLU H H 1 6.587 0.005 . 1 . . . . 49 GLU H . 17172 1 72 . 1 1 49 49 GLU N N 15 115.3 0.2 . 1 . . . . 49 GLU N . 17172 1 73 . 1 1 50 50 SER H H 1 9.614 0.005 . 1 . . . . 50 SER H . 17172 1 74 . 1 1 50 50 SER N N 15 116.4 0.2 . 1 . . . . 50 SER N . 17172 1 75 . 1 1 51 51 LEU H H 1 8.689 0.005 . 1 . . . . 51 LEU H . 17172 1 76 . 1 1 51 51 LEU N N 15 123.3 0.2 . 1 . . . . 51 LEU N . 17172 1 77 . 1 1 52 52 ALA H H 1 8.395 0.005 . 1 . . . . 52 ALA H . 17172 1 78 . 1 1 52 52 ALA N N 15 119.1 0.2 . 1 . . . . 52 ALA N . 17172 1 79 . 1 1 53 53 ASP H H 1 7.703 0.005 . 1 . . . . 53 ASP H . 17172 1 80 . 1 1 53 53 ASP N N 15 118.8 0.2 . 1 . . . . 53 ASP N . 17172 1 81 . 1 1 54 54 VAL H H 1 7.716 0.005 . 1 . . . . 54 VAL H . 17172 1 82 . 1 1 54 54 VAL N N 15 120.6 0.2 . 1 . . . . 54 VAL N . 17172 1 83 . 1 1 55 55 GLN H H 1 9.060 0.005 . 1 . . . . 55 GLN H . 17172 1 84 . 1 1 55 55 GLN N N 15 118.4 0.2 . 1 . . . . 55 GLN N . 17172 1 85 . 1 1 56 56 ALA H H 1 7.596 0.005 . 1 . . . . 56 ALA H . 17172 1 86 . 1 1 56 56 ALA N N 15 119.0 0.2 . 1 . . . . 56 ALA N . 17172 1 87 . 1 1 57 57 VAL H H 1 7.479 0.005 . 1 . . . . 57 VAL H . 17172 1 88 . 1 1 57 57 VAL N N 15 119.9 0.2 . 1 . . . . 57 VAL N . 17172 1 89 . 1 1 58 58 CYS H H 1 6.692 0.005 . 1 . . . . 58 CYS H . 17172 1 90 . 1 1 58 58 CYS N N 15 112.2 0.2 . 1 . . . . 58 CYS N . 17172 1 91 . 1 1 59 59 SER H H 1 7.372 0.005 . 1 . . . . 59 SER H . 17172 1 92 . 1 1 59 59 SER N N 15 111.0 0.2 . 1 . . . . 59 SER N . 17172 1 93 . 1 1 60 60 GLN H H 1 7.617 0.005 . 1 . . . . 60 GLN H . 17172 1 94 . 1 1 60 60 GLN N N 15 123.5 0.2 . 1 . . . . 60 GLN N . 17172 1 95 . 1 1 61 61 LYS H H 1 7.148 0.005 . 1 . . . . 61 LYS H . 17172 1 96 . 1 1 61 61 LYS N N 15 121.8 0.2 . 1 . . . . 61 LYS N . 17172 1 97 . 1 1 62 62 ASN H H 1 8.853 0.005 . 1 . . . . 62 ASN H . 17172 1 98 . 1 1 62 62 ASN N N 15 128.3 0.005 . 1 . . . . 62 ASN N . 17172 1 99 . 1 1 63 63 VAL H H 1 8.135 0.005 . 1 . . . . 63 VAL H . 17172 1 100 . 1 1 63 63 VAL N N 15 121.6 0.2 . 1 . . . . 63 VAL N . 17172 1 101 . 1 1 64 64 ALA H H 1 7.735 0.005 . 1 . . . . 64 ALA H . 17172 1 102 . 1 1 64 64 ALA N N 15 120.0 0.2 . 1 . . . . 64 ALA N . 17172 1 103 . 1 1 65 65 CYS H H 1 8.564 0.005 . 1 . . . . 65 CYS H . 17172 1 104 . 1 1 65 65 CYS N N 15 119.1 0.2 . 1 . . . . 65 CYS N . 17172 1 105 . 1 1 66 66 LYS H H 1 11.03 0.005 . 1 . . . . 66 LYS H . 17172 1 106 . 1 1 67 67 ASN H H 1 8.075 0.005 . 1 . . . . 67 ASN H . 17172 1 107 . 1 1 67 67 ASN N N 15 114.1 0.2 . 1 . . . . 67 ASN N . 17172 1 108 . 1 1 68 68 GLY H H 1 7.919 0.005 . 1 . . . . 68 GLY H . 17172 1 109 . 1 1 68 68 GLY N N 15 107.8 0.2 . 1 . . . . 68 GLY N . 17172 1 110 . 1 1 69 69 GLN H H 1 7.827 0.005 . 1 . . . . 69 GLN H . 17172 1 111 . 1 1 69 69 GLN N N 15 118.8 0.2 . 1 . . . . 69 GLN N . 17172 1 112 . 1 1 70 70 THR H H 1 8.396 0.005 . 1 . . . . 70 THR H . 17172 1 113 . 1 1 70 70 THR N N 15 106.8 0.2 . 1 . . . . 70 THR N . 17172 1 114 . 1 1 71 71 ASN H H 1 8.841 0.005 . 1 . . . . 71 ASN H . 17172 1 115 . 1 1 71 71 ASN N N 15 120.4 0.2 . 1 . . . . 71 ASN N . 17172 1 116 . 1 1 72 72 CYS H H 1 6.561 0.005 . 1 . . . . 72 CYS H . 17172 1 117 . 1 1 72 72 CYS N N 15 114.1 0.2 . 1 . . . . 72 CYS N . 17172 1 118 . 1 1 73 73 TYR H H 1 8.597 0.005 . 1 . . . . 73 TYR H . 17172 1 119 . 1 1 73 73 TYR N N 15 120.5 0.2 . 1 . . . . 73 TYR N . 17172 1 120 . 1 1 74 74 GLN H H 1 9.569 0.005 . 1 . . . . 74 GLN H . 17172 1 121 . 1 1 74 74 GLN N N 15 123.3 0.2 . 1 . . . . 74 GLN N . 17172 1 122 . 1 1 75 75 SER H H 1 9.00 0.005 . 1 . . . . 75 SER H . 17172 1 123 . 1 1 75 75 SER N N 15 121.0 0.2 . 1 . . . . 75 SER N . 17172 1 124 . 1 1 76 76 TYR H H 1 8.574 0.005 . 1 . . . . 76 TYR H . 17172 1 125 . 1 1 76 76 TYR N N 15 123.7 0.2 . 1 . . . . 76 TYR N . 17172 1 126 . 1 1 77 77 SER H H 1 8.787 0.005 . 1 . . . . 77 SER H . 17172 1 127 . 1 1 77 77 SER N N 15 113.0 0.2 . 1 . . . . 77 SER N . 17172 1 128 . 1 1 78 78 THR H H 1 8.211 0.005 . 1 . . . . 78 THR H . 17172 1 129 . 1 1 78 78 THR N N 15 113.9 0.2 . 1 . . . . 78 THR N . 17172 1 130 . 1 1 79 79 MET H H 1 8.544 0.005 . 1 . . . . 79 MET H . 17172 1 131 . 1 1 79 79 MET N N 15 121.6 0.2 . 1 . . . . 79 MET N . 17172 1 132 . 1 1 80 80 SER H H 1 9.267 0.005 . 1 . . . . 80 SER H . 17172 1 133 . 1 1 80 80 SER N N 15 116.0 0.2 . 1 . . . . 80 SER N . 17172 1 134 . 1 1 85 85 ARG H H 1 8.201 0.005 . 1 . . . . 85 ARG H . 17172 1 135 . 1 1 85 85 ARG N N 15 121.7 0.2 . 1 . . . . 85 ARG N . 17172 1 136 . 1 1 86 86 GLU H H 1 8.601 0.005 . 1 . . . . 86 GLU H . 17172 1 137 . 1 1 86 86 GLU N N 15 127.4 0.2 . 1 . . . . 86 GLU N . 17172 1 138 . 1 1 87 87 THR H H 1 7.959 0.005 . 1 . . . . 87 THR H . 17172 1 139 . 1 1 87 87 THR N N 15 114.7 0.2 . 1 . . . . 87 THR N . 17172 1 140 . 1 1 89 89 SER H H 1 7.576 0.005 . 1 . . . . 89 SER H . 17172 1 141 . 1 1 89 89 SER N N 15 112.2 0.2 . 1 . . . . 89 SER N . 17172 1 142 . 1 1 90 90 SER H H 1 6.889 0.005 . 1 . . . . 90 SER H . 17172 1 143 . 1 1 90 90 SER N N 15 117.1 0.2 . 1 . . . . 90 SER N . 17172 1 144 . 1 1 91 91 LYS H H 1 7.370 0.005 . 1 . . . . 91 LYS H . 17172 1 145 . 1 1 91 91 LYS N N 15 128.8 0.2 . 1 . . . . 91 LYS N . 17172 1 146 . 1 1 92 92 TYR H H 1 9.299 0.005 . 1 . . . . 92 TYR H . 17172 1 147 . 1 1 92 92 TYR N N 15 131.1 0.2 . 1 . . . . 92 TYR N . 17172 1 148 . 1 1 94 94 ASN H H 1 8.724 0.005 . 1 . . . . 94 ASN H . 17172 1 149 . 1 1 94 94 ASN N N 15 130.4 0.2 . 1 . . . . 94 ASN N . 17172 1 150 . 1 1 95 95 CYS H H 1 7.450 0.005 . 1 . . . . 95 CYS H . 17172 1 151 . 1 1 95 95 CYS N N 15 121.1 0.2 . 1 . . . . 95 CYS N . 17172 1 152 . 1 1 96 96 ALA H H 1 8.534 0.005 . 1 . . . . 96 ALA H . 17172 1 153 . 1 1 96 96 ALA N N 15 127.9 0.2 . 1 . . . . 96 ALA N . 17172 1 154 . 1 1 97 97 TYR H H 1 9.272 0.005 . 1 . . . . 97 TYR H . 17172 1 155 . 1 1 97 97 TYR N N 15 116.9 0.2 . 1 . . . . 97 TYR N . 17172 1 156 . 1 1 98 98 LYS H H 1 9.395 0.005 . 1 . . . . 98 LYS H . 17172 1 157 . 1 1 98 98 LYS N N 15 125.1 0.2 . 1 . . . . 98 LYS N . 17172 1 158 . 1 1 99 99 THR H H 1 9.088 0.005 . 1 . . . . 99 THR H . 17172 1 159 . 1 1 99 99 THR N N 15 125.4 0.2 . 1 . . . . 99 THR N . 17172 1 160 . 1 1 100 100 THR H H 1 8.784 0.005 . 1 . . . . 100 THR H . 17172 1 161 . 1 1 100 100 THR N N 15 123.2 0.2 . 1 . . . . 100 THR N . 17172 1 162 . 1 1 103 103 ASN H H 1 8.389 0.005 . 1 . . . . 103 ASN H . 17172 1 163 . 1 1 103 103 ASN N N 15 119.6 0.2 . 1 . . . . 103 ASN N . 17172 1 164 . 1 1 104 104 LYS H H 1 8.396 0.005 . 1 . . . . 104 LYS H . 17172 1 165 . 1 1 104 104 LYS N N 15 120.3 0.2 . 1 . . . . 104 LYS N . 17172 1 166 . 1 1 105 105 HIS H H 1 9.075 0.005 . 1 . . . . 105 HIS H . 17172 1 167 . 1 1 105 105 HIS N N 15 119.4 0.2 . 1 . . . . 105 HIS N . 17172 1 168 . 1 1 106 106 ILE H H 1 8.279 0.005 . 1 . . . . 106 ILE H . 17172 1 169 . 1 1 106 106 ILE N N 15 114.0 0.2 . 1 . . . . 106 ILE N . 17172 1 170 . 1 1 107 107 ILE H H 1 8.079 0.005 . 1 . . . . 107 ILE H . 17172 1 171 . 1 1 107 107 ILE N N 15 120.2 0.2 . 1 . . . . 107 ILE N . 17172 1 172 . 1 1 108 108 VAL H H 1 8.671 0.005 . 1 . . . . 108 VAL H . 17172 1 173 . 1 1 108 108 VAL N N 15 116.9 0.2 . 1 . . . . 108 VAL N . 17172 1 174 . 1 1 109 109 ALA H H 1 8.468 0.005 . 1 . . . . 109 ALA H . 17172 1 175 . 1 1 109 109 ALA N N 15 122.5 0.2 . 1 . . . . 109 ALA N . 17172 1 176 . 1 1 111 111 GLU H H 1 8.423 0.005 . 1 . . . . 111 GLU H . 17172 1 177 . 1 1 111 111 GLU N N 15 119.7 0.2 . 1 . . . . 111 GLU N . 17172 1 178 . 1 1 112 112 GLY H H 1 8.645 0.005 . 1 . . . . 112 GLY H . 17172 1 179 . 1 1 112 112 GLY N N 15 108.9 0.2 . 1 . . . . 112 GLY N . 17172 1 180 . 1 1 113 113 ASN H H 1 7.667 0.005 . 1 . . . . 113 ASN H . 17172 1 181 . 1 1 113 113 ASN N N 15 114.0 0.2 . 1 . . . . 113 ASN N . 17172 1 182 . 1 1 115 115 TYR H H 1 8.372 0.005 . 1 . . . . 115 TYR H . 17172 1 183 . 1 1 115 115 TYR N N 15 125.0 0.2 . 1 . . . . 115 TYR N . 17172 1 184 . 1 1 116 116 VAL H H 1 7.470 0.005 . 1 . . . . 116 VAL H . 17172 1 185 . 1 1 116 116 VAL N N 15 119.0 0.2 . 1 . . . . 116 VAL N . 17172 1 186 . 1 1 118 118 VAL H H 1 8.766 0.005 . 1 . . . . 118 VAL H . 17172 1 187 . 1 1 118 118 VAL N N 15 109.6 0.2 . 1 . . . . 118 VAL N . 17172 1 188 . 1 1 119 119 HIS H H 1 7.549 0.005 . 1 . . . . 119 HIS H . 17172 1 189 . 1 1 119 119 HIS N N 15 119.6 0.2 . 1 . . . . 119 HIS N . 17172 1 190 . 1 1 120 120 PHE H H 1 9.617 0.005 . 1 . . . . 120 PHE H . 17172 1 191 . 1 1 120 120 PHE N N 15 129.5 0.2 . 1 . . . . 120 PHE N . 17172 1 192 . 1 1 121 121 ASP H H 1 8.730 0.005 . 1 . . . . 121 ASP H . 17172 1 193 . 1 1 121 121 ASP N N 15 130.9 0.2 . 1 . . . . 121 ASP N . 17172 1 194 . 1 1 122 122 ALA H H 1 7.348 0.005 . 1 . . . . 122 ALA H . 17172 1 195 . 1 1 122 122 ALA N N 15 115.8 0.2 . 1 . . . . 122 ALA N . 17172 1 196 . 1 1 123 123 SER H H 1 8.025 0.005 . 1 . . . . 123 SER H . 17172 1 197 . 1 1 123 123 SER N N 15 111.1 0.2 . 1 . . . . 123 SER N . 17172 1 198 . 1 1 124 124 VAL H H 1 8.655 0.005 . 1 . . . . 124 VAL H . 17172 1 199 . 1 1 124 124 VAL N N 15 123.3 0.2 . 1 . . . . 124 VAL N . 17172 1 stop_ save_