################################### # 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 18234 _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-15N HSQC' . . . 18234 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 . 2 2 2 2 ASP H H 1 8.589 0.02 . 1 . . . Y 3 ASP H . 18234 1 2 . 2 2 2 2 ASP N N 15 121.39 0.2 . 1 . . . Y 3 ASP N . 18234 1 3 . 2 2 3 3 LYS H H 1 8.529 0.02 . 1 . . . Y 4 LYS H . 18234 1 4 . 2 2 3 3 LYS N N 15 122.47 0.2 . 1 . . . Y 4 LYS N . 18234 1 5 . 2 2 4 4 GLU H H 1 8.702 0.02 . 1 . . . Y 5 GLU H . 18234 1 6 . 2 2 4 4 GLU N N 15 119.02 0.2 . 1 . . . Y 5 GLU N . 18234 1 7 . 2 2 5 5 LEU H H 1 7.530 0.02 . 1 . . . Y 6 LEU H . 18234 1 8 . 2 2 5 5 LEU N N 15 124.23 0.2 . 1 . . . Y 6 LEU N . 18234 1 9 . 2 2 6 6 LYS H H 1 8.486 0.02 . 1 . . . Y 7 LYS H . 18234 1 10 . 2 2 6 6 LYS N N 15 126.09 0.2 . 1 . . . Y 7 LYS N . 18234 1 11 . 2 2 7 7 PHE H H 1 9.206 0.02 . 1 . . . Y 8 PHE H . 18234 1 12 . 2 2 7 7 PHE N N 15 128.54 0.2 . 1 . . . Y 8 PHE N . 18234 1 13 . 2 2 8 8 LEU H H 1 8.827 0.02 . 1 . . . Y 9 LEU H . 18234 1 14 . 2 2 8 8 LEU N N 15 121.92 0.2 . 1 . . . Y 9 LEU N . 18234 1 15 . 2 2 9 9 VAL H H 1 8.983 0.02 . 1 . . . Y 10 VAL H . 18234 1 16 . 2 2 9 9 VAL N N 15 127.28 0.2 . 1 . . . Y 10 VAL N . 18234 1 17 . 2 2 10 10 VAL H H 1 9.251 0.02 . 1 . . . Y 11 VAL H . 18234 1 18 . 2 2 10 10 VAL N N 15 127.25 0.2 . 1 . . . Y 11 VAL N . 18234 1 19 . 2 2 11 11 ASP H H 1 8.144 0.02 . 1 . . . Y 12 ASP H . 18234 1 20 . 2 2 11 11 ASP N N 15 123.77 0.2 . 1 . . . Y 12 ASP N . 18234 1 21 . 2 2 12 12 ASP H H 1 9.709 0.02 . 1 . . . Y 13 ASP H . 18234 1 22 . 2 2 12 12 ASP N N 15 124.94 0.2 . 1 . . . Y 13 ASP N . 18234 1 23 . 2 2 14 14 SER H H 1 9.493 0.02 . 1 . . . Y 15 SER H . 18234 1 24 . 2 2 14 14 SER N N 15 126.80 0.2 . 1 . . . Y 15 SER N . 18234 1 25 . 2 2 15 15 THR H H 1 7.372 0.02 . 1 . . . Y 16 THR H . 18234 1 26 . 2 2 15 15 THR N N 15 116.70 0.2 . 1 . . . Y 16 THR N . 18234 1 27 . 2 2 16 16 MET H H 1 6.326 0.02 . 1 . . . Y 17 MET H . 18234 1 28 . 2 2 16 16 MET N N 15 119.00 0.2 . 1 . . . Y 17 MET N . 18234 1 29 . 2 2 17 17 ARG H H 1 7.515 0.02 . 1 . . . Y 18 ARG H . 18234 1 30 . 2 2 17 17 ARG N N 15 116.67 0.2 . 1 . . . Y 18 ARG N . 18234 1 31 . 2 2 18 18 ARG H H 1 7.638 0.02 . 1 . . . Y 19 ARG H . 18234 1 32 . 2 2 18 18 ARG N N 15 116.98 0.2 . 1 . . . Y 19 ARG N . 18234 1 33 . 2 2 19 19 ILE H H 1 7.789 0.02 . 1 . . . Y 20 ILE H . 18234 1 34 . 2 2 19 19 ILE N N 15 120.79 0.2 . 1 . . . Y 20 ILE N . 18234 1 35 . 2 2 20 20 VAL H H 1 8.389 0.02 . 1 . . . Y 21 VAL H . 18234 1 36 . 2 2 20 20 VAL N N 15 119.34 0.2 . 1 . . . Y 21 VAL N . 18234 1 37 . 2 2 21 21 ARG H H 1 8.622 0.02 . 1 . . . Y 22 ARG H . 18234 1 38 . 2 2 21 21 ARG N N 15 119.43 0.2 . 1 . . . Y 22 ARG N . 18234 1 39 . 2 2 23 23 LEU H H 1 8.490 0.02 . 1 . . . Y 24 LEU H . 18234 1 40 . 2 2 23 23 LEU N N 15 123.39 0.2 . 1 . . . Y 24 LEU N . 18234 1 41 . 2 2 25 25 LYS H H 1 7.932 0.02 . 1 . . . Y 26 LYS H . 18234 1 42 . 2 2 25 25 LYS N N 15 120.62 0.2 . 1 . . . Y 26 LYS N . 18234 1 43 . 2 2 26 26 GLU H H 1 7.985 0.02 . 1 . . . Y 27 GLU H . 18234 1 44 . 2 2 26 26 GLU N N 15 122.29 0.2 . 1 . . . Y 27 GLU N . 18234 1 45 . 2 2 27 27 LEU H H 1 7.431 0.02 . 1 . . . Y 28 LEU H . 18234 1 46 . 2 2 27 27 LEU N N 15 117.21 0.2 . 1 . . . Y 28 LEU N . 18234 1 47 . 2 2 28 28 GLY H H 1 7.735 0.02 . 1 . . . Y 29 GLY H . 18234 1 48 . 2 2 28 28 GLY N N 15 106.17 0.2 . 1 . . . Y 29 GLY N . 18234 1 49 . 2 2 29 29 PHE H H 1 8.188 0.02 . 1 . . . Y 30 PHE H . 18234 1 50 . 2 2 29 29 PHE N N 15 121.14 0.2 . 1 . . . Y 30 PHE N . 18234 1 51 . 2 2 30 30 ASN H H 1 8.305 0.02 . 1 . . . Y 31 ASN H . 18234 1 52 . 2 2 30 30 ASN N N 15 118.22 0.2 . 1 . . . Y 31 ASN N . 18234 1 53 . 2 2 31 31 ASN H H 1 9.874 0.02 . 1 . . . Y 32 ASN H . 18234 1 54 . 2 2 31 31 ASN N N 15 124.51 0.2 . 1 . . . Y 32 ASN N . 18234 1 55 . 2 2 32 32 VAL H H 1 7.522 0.02 . 1 . . . Y 33 VAL H . 18234 1 56 . 2 2 32 32 VAL N N 15 122.03 0.2 . 1 . . . Y 33 VAL N . 18234 1 57 . 2 2 33 33 GLU H H 1 9.124 0.02 . 1 . . . Y 34 GLU H . 18234 1 58 . 2 2 33 33 GLU N N 15 126.88 0.2 . 1 . . . Y 34 GLU N . 18234 1 59 . 2 2 34 34 GLU H H 1 8.933 0.02 . 1 . . . Y 35 GLU H . 18234 1 60 . 2 2 34 34 GLU N N 15 120.80 0.2 . 1 . . . Y 35 GLU N . 18234 1 61 . 2 2 35 35 ALA H H 1 8.878 0.02 . 1 . . . Y 36 ALA H . 18234 1 62 . 2 2 35 35 ALA N N 15 120.50 0.2 . 1 . . . Y 36 ALA N . 18234 1 63 . 2 2 36 36 GLU H H 1 9.476 0.02 . 1 . . . Y 37 GLU H . 18234 1 64 . 2 2 36 36 GLU N N 15 117.42 0.2 . 1 . . . Y 37 GLU N . 18234 1 65 . 2 2 37 37 ASP H H 1 7.450 0.02 . 1 . . . Y 38 ASP H . 18234 1 66 . 2 2 37 37 ASP N N 15 131.50 0.2 . 1 . . . Y 38 ASP N . 18234 1 67 . 2 2 38 38 GLY H H 1 8.148 0.02 . 1 . . . Y 39 GLY H . 18234 1 68 . 2 2 38 38 GLY N N 15 102.39 0.2 . 1 . . . Y 39 GLY N . 18234 1 69 . 2 2 39 39 VAL H H 1 7.962 0.02 . 1 . . . Y 40 VAL H . 18234 1 70 . 2 2 39 39 VAL N N 15 122.62 0.2 . 1 . . . Y 40 VAL N . 18234 1 71 . 2 2 40 40 ASP H H 1 8.518 0.02 . 1 . . . Y 41 ASP H . 18234 1 72 . 2 2 40 40 ASP N N 15 121.11 0.2 . 1 . . . Y 41 ASP N . 18234 1 73 . 2 2 41 41 ALA H H 1 8.337 0.02 . 1 . . . Y 42 ALA H . 18234 1 74 . 2 2 41 41 ALA N N 15 116.97 0.2 . 1 . . . Y 42 ALA N . 18234 1 75 . 2 2 42 42 LEU H H 1 8.121 0.02 . 1 . . . Y 43 LEU H . 18234 1 76 . 2 2 42 42 LEU N N 15 118.28 0.2 . 1 . . . Y 43 LEU N . 18234 1 77 . 2 2 45 45 LEU H H 1 8.748 0.02 . 1 . . . Y 46 LEU H . 18234 1 78 . 2 2 45 45 LEU N N 15 118.53 0.2 . 1 . . . Y 46 LEU N . 18234 1 79 . 2 2 46 46 GLN H H 1 7.865 0.02 . 1 . . . Y 47 GLN H . 18234 1 80 . 2 2 46 46 GLN N N 15 116.82 0.2 . 1 . . . Y 47 GLN N . 18234 1 81 . 2 2 47 47 ALA H H 1 7.611 0.02 . 1 . . . Y 48 ALA H . 18234 1 82 . 2 2 47 47 ALA N N 15 120.46 0.2 . 1 . . . Y 48 ALA N . 18234 1 83 . 2 2 48 48 GLY H H 1 7.574 0.02 . 1 . . . Y 49 GLY H . 18234 1 84 . 2 2 48 48 GLY N N 15 104.28 0.2 . 1 . . . Y 49 GLY N . 18234 1 85 . 2 2 49 49 GLY H H 1 8.367 0.02 . 1 . . . Y 50 GLY H . 18234 1 86 . 2 2 49 49 GLY N N 15 103.81 0.2 . 1 . . . Y 50 GLY N . 18234 1 87 . 2 2 50 50 TYR H H 1 8.126 0.02 . 1 . . . Y 51 TYR H . 18234 1 88 . 2 2 50 50 TYR N N 15 118.74 0.2 . 1 . . . Y 51 TYR N . 18234 1 89 . 2 2 51 51 GLY H H 1 9.556 0.02 . 1 . . . Y 52 GLY H . 18234 1 90 . 2 2 51 51 GLY N N 15 106.90 0.2 . 1 . . . Y 52 GLY N . 18234 1 91 . 2 2 52 52 PHE H H 1 7.527 0.02 . 1 . . . Y 53 PHE H . 18234 1 92 . 2 2 52 52 PHE N N 15 121.38 0.2 . 1 . . . Y 53 PHE N . 18234 1 93 . 2 2 53 53 VAL H H 1 8.246 0.02 . 1 . . . Y 54 VAL H . 18234 1 94 . 2 2 53 53 VAL N N 15 127.15 0.2 . 1 . . . Y 54 VAL N . 18234 1 95 . 2 2 54 54 ILE H H 1 9.235 0.02 . 1 . . . Y 55 ILE H . 18234 1 96 . 2 2 54 54 ILE N N 15 128.13 0.2 . 1 . . . Y 55 ILE N . 18234 1 97 . 2 2 55 55 SER H H 1 8.678 0.02 . 1 . . . Y 56 SER H . 18234 1 98 . 2 2 55 55 SER N N 15 118.20 0.2 . 1 . . . Y 56 SER N . 18234 1 99 . 2 2 56 56 ASP H H 1 8.412 0.02 . 1 . . . Y 57 ASP H . 18234 1 100 . 2 2 56 56 ASP N N 15 127.29 0.2 . 1 . . . Y 57 ASP N . 18234 1 101 . 2 2 58 58 ASN H H 1 8.716 0.02 . 1 . . . Y 59 ASN H . 18234 1 102 . 2 2 58 58 ASN N N 15 116.98 0.2 . 1 . . . Y 59 ASN N . 18234 1 103 . 2 2 61 61 ASN H H 1 8.598 0.02 . 1 . . . Y 62 ASN H . 18234 1 104 . 2 2 61 61 ASN N N 15 112.14 0.2 . 1 . . . Y 62 ASN N . 18234 1 105 . 2 2 62 62 MET H H 1 9.192 0.02 . 1 . . . Y 63 MET H . 18234 1 106 . 2 2 62 62 MET N N 15 122.95 0.2 . 1 . . . Y 63 MET N . 18234 1 107 . 2 2 63 63 ASP H H 1 8.518 0.02 . 1 . . . Y 64 ASP H . 18234 1 108 . 2 2 63 63 ASP N N 15 126.54 0.2 . 1 . . . Y 64 ASP N . 18234 1 109 . 2 2 65 65 LEU H H 1 7.733 0.02 . 1 . . . Y 66 LEU H . 18234 1 110 . 2 2 65 65 LEU N N 15 121.87 0.2 . 1 . . . Y 66 LEU N . 18234 1 111 . 2 2 66 66 GLU H H 1 8.085 0.02 . 1 . . . Y 67 GLU H . 18234 1 112 . 2 2 66 66 GLU N N 15 119.47 0.2 . 1 . . . Y 67 GLU N . 18234 1 113 . 2 2 67 67 LEU H H 1 8.299 0.02 . 1 . . . Y 68 LEU H . 18234 1 114 . 2 2 67 67 LEU N N 15 123.91 0.2 . 1 . . . Y 68 LEU N . 18234 1 115 . 2 2 68 68 LEU H H 1 8.249 0.02 . 1 . . . Y 69 LEU H . 18234 1 116 . 2 2 68 68 LEU N N 15 120.64 0.2 . 1 . . . Y 69 LEU N . 18234 1 117 . 2 2 69 69 LYS H H 1 8.400 0.02 . 1 . . . Y 70 LYS H . 18234 1 118 . 2 2 69 69 LYS N N 15 116.08 0.2 . 1 . . . Y 70 LYS N . 18234 1 119 . 2 2 70 70 THR H H 1 8.028 0.02 . 1 . . . Y 71 THR H . 18234 1 120 . 2 2 70 70 THR N N 15 117.49 0.2 . 1 . . . Y 71 THR N . 18234 1 121 . 2 2 71 71 ILE H H 1 8.459 0.02 . 1 . . . Y 72 ILE H . 18234 1 122 . 2 2 71 71 ILE N N 15 123.64 0.2 . 1 . . . Y 72 ILE N . 18234 1 123 . 2 2 72 72 ARG H H 1 8.112 0.02 . 1 . . . Y 73 ARG H . 18234 1 124 . 2 2 72 72 ARG N N 15 113.35 0.2 . 1 . . . Y 73 ARG N . 18234 1 125 . 2 2 73 73 ALA H H 1 7.286 0.02 . 1 . . . Y 74 ALA H . 18234 1 126 . 2 2 73 73 ALA N N 15 118.90 0.2 . 1 . . . Y 74 ALA N . 18234 1 127 . 2 2 74 74 ASP H H 1 7.399 0.02 . 1 . . . Y 75 ASP H . 18234 1 128 . 2 2 74 74 ASP N N 15 121.87 0.2 . 1 . . . Y 75 ASP N . 18234 1 129 . 2 2 75 75 GLY H H 1 8.728 0.02 . 1 . . . Y 76 GLY H . 18234 1 130 . 2 2 75 75 GLY N N 15 112.23 0.2 . 1 . . . Y 76 GLY N . 18234 1 131 . 2 2 76 76 ALA H H 1 8.558 0.02 . 1 . . . Y 77 ALA H . 18234 1 132 . 2 2 76 76 ALA N N 15 121.97 0.2 . 1 . . . Y 77 ALA N . 18234 1 133 . 2 2 77 77 MET H H 1 8.477 0.02 . 1 . . . Y 78 MET H . 18234 1 134 . 2 2 77 77 MET N N 15 116.18 0.2 . 1 . . . Y 78 MET N . 18234 1 135 . 2 2 78 78 SER H H 1 7.436 0.02 . 1 . . . Y 79 SER H . 18234 1 136 . 2 2 78 78 SER N N 15 112.91 0.2 . 1 . . . Y 79 SER N . 18234 1 137 . 2 2 79 79 ALA H H 1 8.246 0.02 . 1 . . . Y 80 ALA H . 18234 1 138 . 2 2 79 79 ALA N N 15 123.08 0.2 . 1 . . . Y 80 ALA N . 18234 1 139 . 2 2 80 80 LEU H H 1 7.816 0.02 . 1 . . . Y 81 LEU H . 18234 1 140 . 2 2 80 80 LEU N N 15 124.13 0.2 . 1 . . . Y 81 LEU N . 18234 1 141 . 2 2 82 82 VAL H H 1 7.731 0.02 . 1 . . . Y 83 VAL H . 18234 1 142 . 2 2 82 82 VAL N N 15 118.86 0.2 . 1 . . . Y 83 VAL N . 18234 1 143 . 2 2 83 83 LEU H H 1 9.135 0.02 . 1 . . . Y 84 LEU H . 18234 1 144 . 2 2 83 83 LEU N N 15 130.45 0.2 . 1 . . . Y 84 LEU N . 18234 1 145 . 2 2 84 84 MET H H 1 7.855 0.02 . 1 . . . Y 85 MET H . 18234 1 146 . 2 2 84 84 MET N N 15 124.08 0.2 . 1 . . . Y 85 MET N . 18234 1 147 . 2 2 85 85 VAL H H 1 9.198 0.02 . 1 . . . Y 86 VAL H . 18234 1 148 . 2 2 85 85 VAL N N 15 124.81 0.2 . 1 . . . Y 86 VAL N . 18234 1 149 . 2 2 86 86 THR H H 1 8.715 0.02 . 1 . . . Y 87 THR H . 18234 1 150 . 2 2 86 86 THR N N 15 116.56 0.2 . 1 . . . Y 87 THR N . 18234 1 151 . 2 2 87 87 ALA H H 1 8.807 0.02 . 1 . . . Y 88 ALA H . 18234 1 152 . 2 2 87 87 ALA N N 15 125.46 0.2 . 1 . . . Y 88 ALA N . 18234 1 153 . 2 2 89 89 ALA H H 1 9.090 0.02 . 1 . . . Y 90 ALA H . 18234 1 154 . 2 2 89 89 ALA N N 15 129.99 0.2 . 1 . . . Y 90 ALA N . 18234 1 155 . 2 2 90 90 LYS H H 1 7.197 0.02 . 1 . . . Y 91 LYS H . 18234 1 156 . 2 2 90 90 LYS N N 15 121.03 0.2 . 1 . . . Y 91 LYS N . 18234 1 157 . 2 2 92 92 GLU H H 1 9.648 0.02 . 1 . . . Y 93 GLU H . 18234 1 158 . 2 2 92 92 GLU N N 15 116.28 0.2 . 1 . . . Y 93 GLU N . 18234 1 159 . 2 2 93 93 ASN H H 1 7.116 0.02 . 1 . . . Y 94 ASN H . 18234 1 160 . 2 2 93 93 ASN N N 15 117.03 0.2 . 1 . . . Y 94 ASN N . 18234 1 161 . 2 2 94 94 ILE H H 1 7.546 0.02 . 1 . . . Y 95 ILE H . 18234 1 162 . 2 2 94 94 ILE N N 15 121.11 0.2 . 1 . . . Y 95 ILE N . 18234 1 163 . 2 2 95 95 ILE H H 1 8.172 0.02 . 1 . . . Y 96 ILE H . 18234 1 164 . 2 2 95 95 ILE N N 15 117.16 0.2 . 1 . . . Y 96 ILE N . 18234 1 165 . 2 2 96 96 ALA H H 1 7.541 0.02 . 1 . . . Y 97 ALA H . 18234 1 166 . 2 2 96 96 ALA N N 15 120.06 0.2 . 1 . . . Y 97 ALA N . 18234 1 167 . 2 2 97 97 ALA H H 1 8.524 0.02 . 1 . . . Y 98 ALA H . 18234 1 168 . 2 2 97 97 ALA N N 15 119.15 0.2 . 1 . . . Y 98 ALA N . 18234 1 169 . 2 2 99 99 GLN H H 1 8.974 0.02 . 1 . . . Y 100 GLN H . 18234 1 170 . 2 2 99 99 GLN N N 15 118.21 0.2 . 1 . . . Y 100 GLN N . 18234 1 171 . 2 2 100 100 ALA H H 1 7.624 0.02 . 1 . . . Y 101 ALA H . 18234 1 172 . 2 2 100 100 ALA N N 15 117.99 0.2 . 1 . . . Y 101 ALA N . 18234 1 173 . 2 2 102 102 ALA H H 1 8.726 0.02 . 1 . . . Y 103 ALA H . 18234 1 174 . 2 2 102 102 ALA N N 15 123.64 0.2 . 1 . . . Y 103 ALA N . 18234 1 175 . 2 2 103 103 SER H H 1 9.114 0.02 . 1 . . . Y 104 SER H . 18234 1 176 . 2 2 103 103 SER N N 15 115.00 0.2 . 1 . . . Y 104 SER N . 18234 1 177 . 2 2 104 104 GLY H H 1 7.442 0.02 . 1 . . . Y 105 GLY H . 18234 1 178 . 2 2 104 104 GLY N N 15 103.25 0.2 . 1 . . . Y 105 GLY N . 18234 1 179 . 2 2 105 105 TYR H H 1 8.524 0.02 . 1 . . . Y 106 TYR H . 18234 1 180 . 2 2 105 105 TYR N N 15 118.86 0.2 . 1 . . . Y 106 TYR N . 18234 1 181 . 2 2 107 107 VAL H H 1 8.089 0.02 . 1 . . . Y 108 VAL H . 18234 1 182 . 2 2 107 107 VAL N N 15 127.36 0.2 . 1 . . . Y 108 VAL N . 18234 1 183 . 2 2 108 108 LYS H H 1 8.376 0.02 . 1 . . . Y 109 LYS H . 18234 1 184 . 2 2 108 108 LYS N N 15 123.48 0.2 . 1 . . . Y 109 LYS N . 18234 1 185 . 2 2 110 110 PHE H H 1 7.583 0.02 . 1 . . . Y 111 PHE H . 18234 1 186 . 2 2 110 110 PHE N N 15 115.95 0.2 . 1 . . . Y 111 PHE N . 18234 1 187 . 2 2 111 111 THR H H 1 7.916 0.02 . 1 . . . Y 112 THR H . 18234 1 188 . 2 2 111 111 THR N N 15 130.47 0.2 . 1 . . . Y 112 THR N . 18234 1 189 . 2 2 112 112 ALA H H 1 9.188 0.02 . 1 . . . Y 113 ALA H . 18234 1 190 . 2 2 112 112 ALA N N 15 122.65 0.2 . 1 . . . Y 113 ALA N . 18234 1 191 . 2 2 113 113 ALA H H 1 8.212 0.02 . 1 . . . Y 114 ALA H . 18234 1 192 . 2 2 113 113 ALA N N 15 118.69 0.2 . 1 . . . Y 114 ALA N . 18234 1 193 . 2 2 115 115 LEU H H 1 8.235 0.02 . 1 . . . Y 116 LEU H . 18234 1 194 . 2 2 115 115 LEU N N 15 121.77 0.2 . 1 . . . Y 116 LEU N . 18234 1 195 . 2 2 116 116 GLU H H 1 8.857 0.02 . 1 . . . Y 117 GLU H . 18234 1 196 . 2 2 116 116 GLU N N 15 119.06 0.2 . 1 . . . Y 117 GLU N . 18234 1 197 . 2 2 117 117 GLU H H 1 7.670 0.02 . 1 . . . Y 118 GLU H . 18234 1 198 . 2 2 117 117 GLU N N 15 117.75 0.2 . 1 . . . Y 118 GLU N . 18234 1 199 . 2 2 119 119 LEU H H 1 8.543 0.02 . 1 . . . Y 120 LEU H . 18234 1 200 . 2 2 119 119 LEU N N 15 118.40 0.2 . 1 . . . Y 120 LEU N . 18234 1 201 . 2 2 120 120 ASN H H 1 8.605 0.02 . 1 . . . Y 121 ASN H . 18234 1 202 . 2 2 120 120 ASN N N 15 115.13 0.2 . 1 . . . Y 121 ASN N . 18234 1 203 . 2 2 121 121 LYS H H 1 7.585 0.02 . 1 . . . Y 122 LYS H . 18234 1 204 . 2 2 121 121 LYS N N 15 119.73 0.2 . 1 . . . Y 122 LYS N . 18234 1 205 . 2 2 122 122 ILE H H 1 7.385 0.02 . 1 . . . Y 123 ILE H . 18234 1 206 . 2 2 122 122 ILE N N 15 120.98 0.2 . 1 . . . Y 123 ILE N . 18234 1 207 . 2 2 123 123 PHE H H 1 9.111 0.02 . 1 . . . Y 124 PHE H . 18234 1 208 . 2 2 123 123 PHE N N 15 117.66 0.2 . 1 . . . Y 124 PHE N . 18234 1 209 . 2 2 124 124 GLU H H 1 8.330 0.02 . 1 . . . Y 125 GLU H . 18234 1 210 . 2 2 124 124 GLU N N 15 119.19 0.2 . 1 . . . Y 125 GLU N . 18234 1 211 . 2 2 125 125 LYS H H 1 8.317 0.02 . 1 . . . Y 126 LYS H . 18234 1 212 . 2 2 125 125 LYS N N 15 121.31 0.2 . 1 . . . Y 126 LYS N . 18234 1 213 . 2 2 127 127 GLY H H 1 7.966 0.02 . 1 . . . Y 128 GLY H . 18234 1 214 . 2 2 127 127 GLY N N 15 110.53 0.2 . 1 . . . Y 128 GLY N . 18234 1 215 . 2 2 128 128 MET H H 1 8.432 0.02 . 1 . . . Y 129 MET H . 18234 1 216 . 2 2 128 128 MET N N 15 124.43 0.2 . 1 . . . Y 129 MET N . 18234 1 stop_ save_