################################### # 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 16547 _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' . . . 16547 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 VAL H H 1 8.216 0.01 . 1 . . . . 3 V H . 16547 1 2 . 1 1 3 3 VAL N N 15 120.333 0.05 . 1 . . . . 3 V N . 16547 1 3 . 1 1 4 4 PHE H H 1 8.299 0.01 . 1 . . . . 4 F H . 16547 1 4 . 1 1 4 4 PHE N N 15 123.329 0.05 . 1 . . . . 4 F N . 16547 1 5 . 1 1 5 5 MET H H 1 8.179 0.01 . 1 . . . . 5 M H . 16547 1 6 . 1 1 5 5 MET N N 15 122.207 0.05 . 1 . . . . 5 M N . 16547 1 7 . 1 1 6 6 LYS H H 1 8.224 0.01 . 1 . . . . 6 K H . 16547 1 8 . 1 1 6 6 LYS N N 15 122.524 0.05 . 1 . . . . 6 K N . 16547 1 9 . 1 1 7 7 GLY H H 1 8.369 0.01 . 1 . . . . 7 G H . 16547 1 10 . 1 1 7 7 GLY N N 15 109.725 0.05 . 1 . . . . 7 G N . 16547 1 11 . 1 1 8 8 LEU H H 1 8.024 0.01 . 1 . . . . 8 L H . 16547 1 12 . 1 1 8 8 LEU N N 15 121.57 0.05 . 1 . . . . 8 L N . 16547 1 13 . 1 1 9 9 SER H H 1 8.283 0.01 . 1 . . . . 9 S H . 16547 1 14 . 1 1 9 9 SER N N 15 116.59 0.05 . 1 . . . . 9 S N . 16547 1 15 . 1 1 10 10 LYS H H 1 8.325 0.01 . 1 . . . . 10 K H . 16547 1 16 . 1 1 10 10 LYS N N 15 123.524 0.05 . 1 . . . . 10 K N . 16547 1 17 . 1 1 11 11 ALA H H 1 8.251 0.01 . 1 . . . . 11 A H . 16547 1 18 . 1 1 11 11 ALA N N 15 125.076 0.05 . 1 . . . . 11 A N . 16547 1 19 . 1 1 12 12 LYS H H 1 8.285 0.01 . 1 . . . . 12 K H . 16547 1 20 . 1 1 12 12 LYS N N 15 120.726 0.05 . 1 . . . . 12 K N . 16547 1 21 . 1 1 13 13 GLU H H 1 8.385 0.01 . 1 . . . . 13 E H . 16547 1 22 . 1 1 13 13 GLU N N 15 122.034 0.05 . 1 . . . . 13 E N . 16547 1 23 . 1 1 14 14 GLY H H 1 8.411 0.01 . 1 . . . . 14 G H . 16547 1 24 . 1 1 14 14 GLY N N 15 109.934 0.05 . 1 . . . . 14 G N . 16547 1 25 . 1 1 15 15 VAL H H 1 7.933 0.01 . 1 . . . . 15 V H . 16547 1 26 . 1 1 15 15 VAL N N 15 120.057 0.05 . 1 . . . . 15 V N . 16547 1 27 . 1 1 16 16 VAL H H 1 8.226 0.01 . 1 . . . . 16 V H . 16547 1 28 . 1 1 16 16 VAL N N 15 124.854 0.05 . 1 . . . . 16 V N . 16547 1 29 . 1 1 17 17 ALA H H 1 8.382 0.01 . 1 . . . . 17 A H . 16547 1 30 . 1 1 17 17 ALA N N 15 128.119 0.05 . 1 . . . . 17 A N . 16547 1 31 . 1 1 18 18 ALA H H 1 8.254 0.01 . 1 . . . . 18 A H . 16547 1 32 . 1 1 18 18 ALA N N 15 123.479 0.05 . 1 . . . . 18 A N . 16547 1 33 . 1 1 19 19 ALA H H 1 8.223 0.01 . 1 . . . . 19 A H . 16547 1 34 . 1 1 19 19 ALA N N 15 122.881 0.05 . 1 . . . . 19 A N . 16547 1 35 . 1 1 20 20 GLU H H 1 8.279 0.01 . 1 . . . . 20 E H . 16547 1 36 . 1 1 20 20 GLU N N 15 119.915 0.05 . 1 . . . . 20 E N . 16547 1 37 . 1 1 21 21 LYS H H 1 8.29 0.01 . 1 . . . . 21 K H . 16547 1 38 . 1 1 21 21 LYS N N 15 122.086 0.05 . 1 . . . . 21 K N . 16547 1 39 . 1 1 22 22 THR H H 1 8.082 0.01 . 1 . . . . 22 T H . 16547 1 40 . 1 1 22 22 THR N N 15 115.004 0.05 . 1 . . . . 22 T N . 16547 1 41 . 1 1 23 23 LYS H H 1 8.294 0.01 . 1 . . . . 23 K H . 16547 1 42 . 1 1 23 23 LYS N N 15 123.566 0.05 . 1 . . . . 23 K N . 16547 1 43 . 1 1 24 24 GLN H H 1 8.373 0.01 . 1 . . . . 24 Q H . 16547 1 44 . 1 1 24 24 GLN N N 15 121.52 0.05 . 1 . . . . 24 Q N . 16547 1 45 . 1 1 25 25 GLY H H 1 8.438 0.01 . 1 . . . . 25 G H . 16547 1 46 . 1 1 25 25 GLY N N 15 110.4 0.05 . 1 . . . . 25 G N . 16547 1 47 . 1 1 26 26 VAL H H 1 7.969 0.01 . 1 . . . . 26 V H . 16547 1 48 . 1 1 26 26 VAL N N 15 119.646 0.05 . 1 . . . . 26 V N . 16547 1 49 . 1 1 27 27 ALA H H 1 8.378 0.01 . 1 . . . . 27 A H . 16547 1 50 . 1 1 27 27 ALA N N 15 127.119 0.05 . 1 . . . . 27 A N . 16547 1 51 . 1 1 28 28 GLU H H 1 8.345 0.01 . 1 . . . . 28 E H . 16547 1 52 . 1 1 28 28 GLU N N 15 120.401 0.05 . 1 . . . . 28 E N . 16547 1 53 . 1 1 29 29 ALA H H 1 8.25 0.01 . 1 . . . . 29 A H . 16547 1 54 . 1 1 29 29 ALA N N 15 124.713 0.05 . 1 . . . . 29 A N . 16547 1 55 . 1 1 30 30 ALA H H 1 8.189 0.01 . 1 . . . . 30 A H . 16547 1 56 . 1 1 30 30 ALA N N 15 122.861 0.05 . 1 . . . . 30 A N . 16547 1 57 . 1 1 31 31 GLY H H 1 8.269 0.01 . 1 . . . . 31 G H . 16547 1 58 . 1 1 31 31 GLY N N 15 107.682 0.05 . 1 . . . . 31 G N . 16547 1 59 . 1 1 32 32 LYS H H 1 8.078 0.01 . 1 . . . . 32 K H . 16547 1 60 . 1 1 32 32 LYS N N 15 120.687 0.05 . 1 . . . . 32 K N . 16547 1 61 . 1 1 33 33 THR H H 1 8.182 0.01 . 1 . . . . 33 T H . 16547 1 62 . 1 1 33 33 THR N N 15 115.424 0.05 . 1 . . . . 33 T N . 16547 1 63 . 1 1 34 34 LYS H H 1 8.419 0.01 . 1 . . . . 34 K H . 16547 1 64 . 1 1 34 34 LYS N N 15 123.653 0.05 . 1 . . . . 34 K N . 16547 1 65 . 1 1 35 35 GLU H H 1 8.408 0.01 . 1 . . . . 35 E H . 16547 1 66 . 1 1 35 35 GLU N N 15 121.837 0.05 . 1 . . . . 35 E N . 16547 1 67 . 1 1 36 36 GLY H H 1 8.39 0.01 . 1 . . . . 36 G H . 16547 1 68 . 1 1 36 36 GLY N N 15 109.813 0.05 . 1 . . . . 36 G N . 16547 1 69 . 1 1 37 37 VAL H H 1 7.858 0.01 . 1 . . . . 37 V H . 16547 1 70 . 1 1 37 37 VAL N N 15 119.502 0.05 . 1 . . . . 37 V N . 16547 1 71 . 1 1 38 38 LEU H H 1 8.224 0.01 . 1 . . . . 38 L H . 16547 1 72 . 1 1 38 38 LEU N N 15 125.551 0.05 . 1 . . . . 38 L N . 16547 1 73 . 1 1 39 39 TYR H H 1 8.22 0.01 . 1 . . . . 39 Y H . 16547 1 74 . 1 1 39 39 TYR N N 15 122.172 0.05 . 1 . . . . 39 Y N . 16547 1 75 . 1 1 40 40 VAL H H 1 8.047 0.01 . 1 . . . . 40 V H . 16547 1 76 . 1 1 40 40 VAL N N 15 122.898 0.05 . 1 . . . . 40 V N . 16547 1 77 . 1 1 41 41 GLY H H 1 7.993 0.01 . 1 . . . . 41 G H . 16547 1 78 . 1 1 41 41 GLY N N 15 111.769 0.05 . 1 . . . . 41 G N . 16547 1 79 . 1 1 42 42 SER H H 1 8.221 0.01 . 1 . . . . 42 S H . 16547 1 80 . 1 1 42 42 SER N N 15 115.535 0.05 . 1 . . . . 42 S N . 16547 1 81 . 1 1 43 43 LYS H H 1 8.464 0.01 . 1 . . . . 43 K H . 16547 1 82 . 1 1 43 43 LYS N N 15 123.233 0.05 . 1 . . . . 43 K N . 16547 1 83 . 1 1 44 44 THR H H 1 8.082 0.01 . 1 . . . . 44 T H . 16547 1 84 . 1 1 44 44 THR N N 15 115.004 0.05 . 1 . . . . 44 T N . 16547 1 85 . 1 1 45 45 LYS H H 1 8.339 0.01 . 1 . . . . 45 K H . 16547 1 86 . 1 1 45 45 LYS N N 15 124.175 0.05 . 1 . . . . 45 K N . 16547 1 87 . 1 1 46 46 LYS H H 1 8.368 0.01 . 1 . . . . 46 E H . 16547 1 88 . 1 1 46 46 LYS N N 15 123.037 0.05 . 1 . . . . 46 E N . 16547 1 89 . 1 1 47 47 GLY H H 1 8.407 0.01 . 1 . . . . 47 G H . 16547 1 90 . 1 1 47 47 GLY N N 15 110.328 0.05 . 1 . . . . 47 G N . 16547 1 91 . 1 1 48 48 VAL H H 1 7.961 0.01 . 1 . . . . 48 V H . 16547 1 92 . 1 1 48 48 VAL N N 15 119.9 0.05 . 1 . . . . 48 V N . 16547 1 93 . 1 1 49 49 VAL H H 1 8.25 0.01 . 1 . . . . 49 V H . 16547 1 94 . 1 1 49 49 VAL N N 15 124.713 0.05 . 1 . . . . 49 V N . 16547 1 95 . 1 1 50 50 HIS H H 1 8.608 0.01 . 1 . . . . 50 H H . 16547 1 96 . 1 1 50 50 HIS N N 15 123.415 0.05 . 1 . . . . 50 H N . 16547 1 97 . 1 1 51 51 GLY H H 1 8.434 0.01 . 1 . . . . 51 G H . 16547 1 98 . 1 1 51 51 GLY N N 15 110.472 0.05 . 1 . . . . 51 G N . 16547 1 99 . 1 1 52 52 VAL H H 1 8.036 0.01 . 1 . . . . 52 V H . 16547 1 100 . 1 1 52 52 VAL N N 15 119.507 0.05 . 1 . . . . 52 V N . 16547 1 101 . 1 1 53 53 ALA H H 1 8.442 0.01 . 1 . . . . 53 A H . 16547 1 102 . 1 1 53 53 ALA N N 15 127.831 0.05 . 1 . . . . 53 A N . 16547 1 103 . 1 1 54 54 THR H H 1 8.169 0.01 . 1 . . . . 54 T H . 16547 1 104 . 1 1 54 54 THR N N 15 114.608 0.05 . 1 . . . . 54 T N . 16547 1 105 . 1 1 55 55 VAL H H 1 8.177 0.01 . 1 . . . . 55 V H . 16547 1 106 . 1 1 55 55 VAL N N 15 122.678 0.05 . 1 . . . . 55 V N . 16547 1 107 . 1 1 56 56 ALA H H 1 8.358 0.01 . 1 . . . . 56 A H . 16547 1 108 . 1 1 56 56 ALA N N 15 127.636 0.05 . 1 . . . . 56 A N . 16547 1 109 . 1 1 57 57 GLU H H 1 8.311 0.01 . 1 . . . . 57 E H . 16547 1 110 . 1 1 57 57 GLU N N 15 120.645 0.05 . 1 . . . . 57 E N . 16547 1 111 . 1 1 58 58 LYS H H 1 8.37 0.01 . 1 . . . . 58 K H . 16547 1 112 . 1 1 58 58 LYS N N 15 122.531 0.05 . 1 . . . . 58 K N . 16547 1 113 . 1 1 59 59 THR H H 1 8.151 0.01 . 1 . . . . 59 T H . 16547 1 114 . 1 1 59 59 THR N N 15 115.588 0.05 . 1 . . . . 59 T N . 16547 1 115 . 1 1 60 60 LYS H H 1 8.322 0.01 . 1 . . . . 60 K H . 16547 1 116 . 1 1 60 60 LYS N N 15 123.409 0.05 . 1 . . . . 60 K N . 16547 1 117 . 1 1 61 61 GLU H H 1 8.374 0.01 . 1 . . . . 61 E H . 16547 1 118 . 1 1 61 61 GLU N N 15 121.815 0.05 . 1 . . . . 61 E N . 16547 1 119 . 1 1 62 62 GLN H H 1 8.371 0.01 . 1 . . . . 62 Q H . 16547 1 120 . 1 1 62 62 GLN N N 15 121.54 0.05 . 1 . . . . 62 Q N . 16547 1 121 . 1 1 63 63 VAL H H 1 8.224 0.01 . 1 . . . . 63 V H . 16547 1 122 . 1 1 63 63 VAL N N 15 121.673 0.05 . 1 . . . . 63 V N . 16547 1 123 . 1 1 64 64 THR H H 1 8.246 0.01 . 1 . . . . 64 T H . 16547 1 124 . 1 1 64 64 THR N N 15 117.775 0.05 . 1 . . . . 64 T N . 16547 1 125 . 1 1 65 65 ASN H H 1 8.464 0.01 . 1 . . . . 65 N H . 16547 1 126 . 1 1 65 65 ASN N N 15 121.605 0.05 . 1 . . . . 65 N N . 16547 1 127 . 1 1 66 66 VAL H H 1 8.19 0.01 . 1 . . . . 66 V H . 16547 1 128 . 1 1 66 66 VAL N N 15 120.612 0.05 . 1 . . . . 66 V N . 16547 1 129 . 1 1 67 67 GLY H H 1 8.496 0.01 . 1 . . . . 67 G H . 16547 1 130 . 1 1 67 67 GLY N N 15 112.389 0.05 . 1 . . . . 67 G N . 16547 1 131 . 1 1 68 68 GLY H H 1 8.188 0.01 . 1 . . . . 68 G H . 16547 1 132 . 1 1 68 68 GLY N N 15 108.802 0.05 . 1 . . . . 68 G N . 16547 1 133 . 1 1 69 69 ALA H H 1 8.114 0.01 . 1 . . . . 69 A H . 16547 1 134 . 1 1 69 69 ALA N N 15 123.7 0.05 . 1 . . . . 69 A N . 16547 1 135 . 1 1 70 70 VAL H H 1 8.151 0.01 . 1 . . . . 70 V H . 16547 1 136 . 1 1 70 70 VAL N N 15 120.275 0.05 . 1 . . . . 70 V N . 16547 1 137 . 1 1 71 71 VAL H H 1 8.32 0.01 . 1 . . . . 71 V H . 16547 1 138 . 1 1 71 71 VAL N N 15 125.009 0.05 . 1 . . . . 71 V N . 16547 1 139 . 1 1 72 72 THR H H 1 8.247 0.01 . 1 . . . . 72 T H . 16547 1 140 . 1 1 72 72 THR N N 15 118.291 0.05 . 1 . . . . 72 T N . 16547 1 141 . 1 1 73 73 GLY H H 1 8.381 0.01 . 1 . . . . 73 G H . 16547 1 142 . 1 1 73 73 GLY N N 15 111.151 0.05 . 1 . . . . 73 G N . 16547 1 143 . 1 1 74 74 VAL H H 1 8.033 0.01 . 1 . . . . 74 V H . 16547 1 144 . 1 1 74 74 VAL N N 15 119.476 0.05 . 1 . . . . 74 V N . 16547 1 145 . 1 1 75 75 THR H H 1 8.235 0.01 . 1 . . . . 75 T H . 16547 1 146 . 1 1 75 75 THR N N 15 118.509 0.05 . 1 . . . . 75 T N . 16547 1 147 . 1 1 76 76 ALA H H 1 8.304 0.01 . 1 . . . . 76 A H . 16547 1 148 . 1 1 76 76 ALA N N 15 127.044 0.05 . 1 . . . . 76 A N . 16547 1 149 . 1 1 77 77 VAL H H 1 8.073 0.01 . 1 . . . . 77 V H . 16547 1 150 . 1 1 77 77 VAL N N 15 119.778 0.05 . 1 . . . . 77 V N . 16547 1 151 . 1 1 78 78 ALA H H 1 8.338 0.01 . 1 . . . . 78 A H . 16547 1 152 . 1 1 78 78 ALA N N 15 127.722 0.05 . 1 . . . . 78 A N . 16547 1 153 . 1 1 79 79 GLN H H 1 8.323 0.01 . 1 . . . . 79 Q H . 16547 1 154 . 1 1 79 79 GLN N N 15 120.098 0.05 . 1 . . . . 79 Q N . 16547 1 155 . 1 1 80 80 LYS H H 1 8.372 0.01 . 1 . . . . 80 K H . 16547 1 156 . 1 1 80 80 LYS N N 15 123.027 0.05 . 1 . . . . 80 K N . 16547 1 157 . 1 1 81 81 THR H H 1 8.234 0.01 . 1 . . . . 81 T H . 16547 1 158 . 1 1 81 81 THR N N 15 116.655 0.05 . 1 . . . . 81 T N . 16547 1 159 . 1 1 82 82 VAL H H 1 8.248 0.01 . 1 . . . . 82 V H . 16547 1 160 . 1 1 82 82 VAL N N 15 122.713 0.05 . 1 . . . . 82 V N . 16547 1 161 . 1 1 83 83 GLU H H 1 8.513 0.01 . 1 . . . . 83 E H . 16547 1 162 . 1 1 83 83 GLU N N 15 124.971 0.05 . 1 . . . . 83 E N . 16547 1 163 . 1 1 84 84 GLY H H 1 8.456 0.01 . 1 . . . . 84 G H . 16547 1 164 . 1 1 84 84 GLY N N 15 110.523 0.05 . 1 . . . . 84 G N . 16547 1 165 . 1 1 85 85 ALA H H 1 8.214 0.01 . 1 . . . . 85 A H . 16547 1 166 . 1 1 85 85 ALA N N 15 123.888 0.05 . 1 . . . . 85 A N . 16547 1 167 . 1 1 86 86 GLY H H 1 8.438 0.01 . 1 . . . . 86 G H . 16547 1 168 . 1 1 86 86 GLY N N 15 108.047 0.05 . 1 . . . . 86 G N . 16547 1 169 . 1 1 87 87 SER H H 1 8.111 0.01 . 1 . . . . 87 S H . 16547 1 170 . 1 1 87 87 SER N N 15 115.648 0.05 . 1 . . . . 87 S N . 16547 1 171 . 1 1 88 88 ILE H H 1 8.143 0.01 . 1 . . . . 88 I H . 16547 1 172 . 1 1 88 88 ILE N N 15 122.647 0.05 . 1 . . . . 88 I N . 16547 1 173 . 1 1 89 89 ALA H H 1 8.29 0.01 . 1 . . . . 89 A H . 16547 1 174 . 1 1 89 89 ALA N N 15 127.699 0.05 . 1 . . . . 89 A N . 16547 1 175 . 1 1 90 90 ALA H H 1 8.147 0.01 . 1 . . . . 90 A H . 16547 1 176 . 1 1 90 90 ALA N N 15 123.104 0.05 . 1 . . . . 90 A N . 16547 1 177 . 1 1 91 91 ALA H H 1 8.231 0.01 . 1 . . . . 91 A H . 16547 1 178 . 1 1 91 91 ALA N N 15 123.162 0.05 . 1 . . . . 91 A N . 16547 1 179 . 1 1 92 92 THR H H 1 8.035 0.01 . 1 . . . . 92 T H . 16547 1 180 . 1 1 92 92 THR N N 15 112.444 0.05 . 1 . . . . 92 T N . 16547 1 181 . 1 1 93 93 GLY H H 1 8.251 0.01 . 1 . . . . 93 G H . 16547 1 182 . 1 1 93 93 GLY N N 15 110.517 0.05 . 1 . . . . 93 G N . 16547 1 183 . 1 1 94 94 PHE H H 1 8.047 0.01 . 1 . . . . 94 F H . 16547 1 184 . 1 1 94 94 PHE N N 15 120.268 0.05 . 1 . . . . 94 F N . 16547 1 185 . 1 1 95 95 VAL H H 1 8.011 0.01 . 1 . . . . 95 V H . 16547 1 186 . 1 1 95 95 VAL N N 15 123.399 0.05 . 1 . . . . 95 V N . 16547 1 187 . 1 1 96 96 LYS H H 1 8.341 0.01 . 1 . . . . 96 K H . 16547 1 188 . 1 1 96 96 LYS N N 15 126.143 0.05 . 1 . . . . 96 K N . 16547 1 189 . 1 1 97 97 LYS H H 1 8.422 0.01 . 1 . . . . 97 K H . 16547 1 190 . 1 1 97 97 LYS N N 15 123.629 0.05 . 1 . . . . 97 K N . 16547 1 191 . 1 1 98 98 ASP H H 1 8.365 0.01 . 1 . . . . 98 D H . 16547 1 192 . 1 1 98 98 ASP N N 15 121.026 0.05 . 1 . . . . 98 D N . 16547 1 193 . 1 1 99 99 GLN H H 1 8.299 0.01 . 1 . . . . 99 Q H . 16547 1 194 . 1 1 99 99 GLN N N 15 120.071 0.05 . 1 . . . . 99 Q N . 16547 1 195 . 1 1 100 100 LEU H H 1 8.244 0.01 . 1 . . . . 100 L H . 16547 1 196 . 1 1 100 100 LEU N N 15 122.722 0.05 . 1 . . . . 100 L N . 16547 1 197 . 1 1 101 101 GLY H H 1 8.421 0.01 . 1 . . . . 101 G H . 16547 1 198 . 1 1 101 101 GLY N N 15 109.635 0.05 . 1 . . . . 101 G N . 16547 1 199 . 1 1 102 102 LYS H H 1 8.163 0.01 . 1 . . . . 102 K H . 16547 1 200 . 1 1 102 102 LYS N N 15 120.75 0.05 . 1 . . . . 102 K N . 16547 1 201 . 1 1 103 103 ASN H H 1 8.571 0.01 . 1 . . . . 103 N H . 16547 1 202 . 1 1 103 103 ASN N N 15 119.883 0.05 . 1 . . . . 103 N N . 16547 1 203 . 1 1 104 104 GLU H H 1 8.437 0.01 . 1 . . . . 104 E H . 16547 1 204 . 1 1 104 104 GLU N N 15 121.28 0.05 . 1 . . . . 104 E N . 16547 1 205 . 1 1 105 105 GLU H H 1 8.413 0.01 . 1 . . . . 105 E H . 16547 1 206 . 1 1 105 105 GLU N N 15 121.709 0.05 . 1 . . . . 105 E N . 16547 1 207 . 1 1 106 106 GLY H H 1 8.38 0.01 . 1 . . . . 106 G H . 16547 1 208 . 1 1 106 106 GLY N N 15 110.085 0.05 . 1 . . . . 106 G N . 16547 1 209 . 1 1 107 107 ALA H H 1 8.069 0.01 . 1 . . . . 107 A H . 16547 1 210 . 1 1 107 107 ALA N N 15 124.843 0.05 . 1 . . . . 107 A N . 16547 1 211 . 1 1 109 109 GLN H H 1 8.525 0.01 . 1 . . . . 109 Q H . 16547 1 212 . 1 1 109 109 GLN N N 15 120.983 0.05 . 1 . . . . 109 Q N . 16547 1 213 . 1 1 110 110 GLU H H 1 8.468 0.01 . 1 . . . . 110 E H . 16547 1 214 . 1 1 110 110 GLU N N 15 122.319 0.05 . 1 . . . . 110 E N . 16547 1 215 . 1 1 111 111 GLY H H 1 8.428 0.01 . 1 . . . . 111 G H . 16547 1 216 . 1 1 111 111 GLY N N 15 110.089 0.05 . 1 . . . . 111 G N . 16547 1 217 . 1 1 112 112 ILE H H 1 7.943 0.01 . 1 . . . . 112 I H . 16547 1 218 . 1 1 112 112 ILE N N 15 120.143 0.05 . 1 . . . . 112 I N . 16547 1 219 . 1 1 113 113 LEU H H 1 8.346 0.01 . 1 . . . . 113 L H . 16547 1 220 . 1 1 113 113 LEU N N 15 126.747 0.05 . 1 . . . . 113 L N . 16547 1 221 . 1 1 114 114 GLU H H 1 8.372 0.01 . 1 . . . . 114 E H . 16547 1 222 . 1 1 114 114 GLU N N 15 122.055 0.05 . 1 . . . . 114 E N . 16547 1 223 . 1 1 115 115 ASP H H 1 8.313 0.01 . 1 . . . . 115 D H . 16547 1 224 . 1 1 115 115 ASP N N 15 121.235 0.05 . 1 . . . . 115 D N . 16547 1 225 . 1 1 116 116 MET H H 1 8.204 0.01 . 1 . . . . 116 M H . 16547 1 226 . 1 1 116 116 MET N N 15 121.857 0.05 . 1 . . . . 116 M N . 16547 1 227 . 1 1 118 118 VAL H H 1 8.223 0.01 . 1 . . . . 118 V H . 16547 1 228 . 1 1 118 118 VAL N N 15 120.557 0.05 . 1 . . . . 118 V N . 16547 1 229 . 1 1 119 119 ASP H H 1 8.45 0.01 . 1 . . . . 119 D H . 16547 1 230 . 1 1 119 119 ASP N N 15 125.572 0.05 . 1 . . . . 119 D N . 16547 1 231 . 1 1 121 121 ASP H H 1 8.337 0.01 . 1 . . . . 121 D H . 16547 1 232 . 1 1 121 121 ASP N N 15 119.105 0.05 . 1 . . . . 121 D N . 16547 1 233 . 1 1 122 122 ASN H H 1 8.083 0.01 . 1 . . . . 122 N H . 16547 1 234 . 1 1 122 122 ASN N N 15 118.937 0.05 . 1 . . . . 122 N N . 16547 1 235 . 1 1 123 123 GLU H H 1 8.312 0.01 . 1 . . . . 123 E H . 16547 1 236 . 1 1 123 123 GLU N N 15 121.428 0.05 . 1 . . . . 123 E N . 16547 1 237 . 1 1 124 124 ALA H H 1 8.165 0.01 . 1 . . . . 124 A H . 16547 1 238 . 1 1 124 124 ALA N N 15 124.173 0.05 . 1 . . . . 124 A N . 16547 1 239 . 1 1 125 125 TYR H H 1 7.973 0.01 . 1 . . . . 125 Y H . 16547 1 240 . 1 1 125 125 TYR N N 15 119.612 0.05 . 1 . . . . 125 Y N . 16547 1 241 . 1 1 126 126 GLU H H 1 8.111 0.01 . 1 . . . . 126 E H . 16547 1 242 . 1 1 126 126 GLU N N 15 123.238 0.05 . 1 . . . . 126 E N . 16547 1 243 . 1 1 127 127 MET H H 1 8.368 0.01 . 1 . . . . 127 M H . 16547 1 244 . 1 1 127 127 MET N N 15 123.56 0.05 . 1 . . . . 127 M N . 16547 1 245 . 1 1 129 129 SER H H 1 8.41 0.01 . 1 . . . . 129 S H . 16547 1 246 . 1 1 129 129 SER N N 15 116.423 0.05 . 1 . . . . 129 S N . 16547 1 247 . 1 1 130 130 GLU H H 1 8.518 0.01 . 1 . . . . 130 E H . 16547 1 248 . 1 1 130 130 GLU N N 15 122.975 0.05 . 1 . . . . 130 E N . 16547 1 249 . 1 1 131 131 GLU H H 1 8.418 0.01 . 1 . . . . 131 E H . 16547 1 250 . 1 1 131 131 GLU N N 15 121.696 0.05 . 1 . . . . 131 E N . 16547 1 251 . 1 1 132 132 GLY H H 1 8.344 0.01 . 1 . . . . 132 G H . 16547 1 252 . 1 1 132 132 GLY N N 15 109.696 0.05 . 1 . . . . 132 G N . 16547 1 253 . 1 1 133 133 TYR H H 1 8.017 0.01 . 1 . . . . 133 Y H . 16547 1 254 . 1 1 133 133 TYR N N 15 120.19 0.05 . 1 . . . . 133 Y N . 16547 1 255 . 1 1 134 134 GLN H H 1 8.193 0.01 . 1 . . . . 134 Q H . 16547 1 256 . 1 1 134 134 GLN N N 15 122.419 0.05 . 1 . . . . 134 Q N . 16547 1 257 . 1 1 135 135 ASP H H 1 8.203 0.01 . 1 . . . . 135 D H . 16547 1 258 . 1 1 135 135 ASP N N 15 121.505 0.05 . 1 . . . . 135 D N . 16547 1 259 . 1 1 136 136 TYR H H 1 8.011 0.01 . 1 . . . . 136 Y H . 16547 1 260 . 1 1 136 136 TYR N N 15 120.41 0.05 . 1 . . . . 136 Y N . 16547 1 261 . 1 1 137 137 GLU H H 1 8.207 0.01 . 1 . . . . 137 E H . 16547 1 262 . 1 1 137 137 GLU N N 15 125.058 0.05 . 1 . . . . 137 E N . 16547 1 263 . 1 1 139 139 GLU H H 1 8.458 0.01 . 1 . . . . 139 E H . 16547 1 264 . 1 1 139 139 GLU N N 15 121.357 0.05 . 1 . . . . 139 E N . 16547 1 265 . 1 1 140 140 ALA H H 1 7.939 0.01 . 1 . . . . 140 A H . 16547 1 266 . 1 1 140 140 ALA N N 15 130.61 0.05 . 1 . . . . 140 A N . 16547 1 stop_ save_