################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5287 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 GLN H H 1 8.382 0.036 . 1 . . . . . . . . 5287 1 2 . 1 1 3 3 GLN N N 15 119.708 0.202 . 1 . . . . . . . . 5287 1 3 . 1 1 4 4 LEU H H 1 8.332 0.038 . 1 . . . . . . . . 5287 1 4 . 1 1 4 4 LEU N N 15 122.659 0.240 . 1 . . . . . . . . 5287 1 5 . 1 1 5 5 THR H H 1 8.785 0.046 . 1 . . . . . . . . 5287 1 6 . 1 1 5 5 THR N N 15 112.906 0.187 . 1 . . . . . . . . 5287 1 7 . 1 1 6 6 GLU H H 1 9.068 0.039 . 1 . . . . . . . . 5287 1 8 . 1 1 6 6 GLU N N 15 120.383 0.207 . 1 . . . . . . . . 5287 1 9 . 1 1 7 7 GLU H H 1 8.736 0.034 . 1 . . . . . . . . 5287 1 10 . 1 1 7 7 GLU N N 15 119.334 0.221 . 1 . . . . . . . . 5287 1 11 . 1 1 8 8 GLN H H 1 7.795 0.038 . 1 . . . . . . . . 5287 1 12 . 1 1 8 8 GLN N N 15 121.400 0.207 . 1 . . . . . . . . 5287 1 13 . 1 1 9 9 ILE H H 1 8.360 0.042 . 1 . . . . . . . . 5287 1 14 . 1 1 9 9 ILE N N 15 119.281 0.292 . 1 . . . . . . . . 5287 1 15 . 1 1 10 10 ALA H H 1 7.971 0.050 . 1 . . . . . . . . 5287 1 16 . 1 1 10 10 ALA N N 15 120.697 0.234 . 1 . . . . . . . . 5287 1 17 . 1 1 11 11 GLU H H 1 7.869 0.044 . 1 . . . . . . . . 5287 1 18 . 1 1 11 11 GLU N N 15 120.273 0.233 . 1 . . . . . . . . 5287 1 19 . 1 1 12 12 PHE H H 1 9.095 0.046 . 1 . . . . . . . . 5287 1 20 . 1 1 12 12 PHE N N 15 121.954 0.187 . 1 . . . . . . . . 5287 1 21 . 1 1 13 13 LYS H H 1 9.325 0.044 . 1 . . . . . . . . 5287 1 22 . 1 1 13 13 LYS N N 15 125.030 0.209 . 1 . . . . . . . . 5287 1 23 . 1 1 14 14 GLU H H 1 7.855 0.045 . 1 . . . . . . . . 5287 1 24 . 1 1 14 14 GLU N N 15 119.313 0.261 . 1 . . . . . . . . 5287 1 25 . 1 1 15 15 ALA H H 1 8.099 0.041 . 1 . . . . . . . . 5287 1 26 . 1 1 15 15 ALA N N 15 122.676 0.242 . 1 . . . . . . . . 5287 1 27 . 1 1 16 16 PHE H H 1 8.822 0.048 . 1 . . . . . . . . 5287 1 28 . 1 1 16 16 PHE N N 15 119.494 0.259 . 1 . . . . . . . . 5287 1 29 . 1 1 17 17 SER H H 1 8.212 0.038 . 1 . . . . . . . . 5287 1 30 . 1 1 17 17 SER N N 15 113.129 0.195 . 1 . . . . . . . . 5287 1 31 . 1 1 18 18 LEU H H 1 7.304 0.036 . 1 . . . . . . . . 5287 1 32 . 1 1 18 18 LEU N N 15 119.637 0.232 . 1 . . . . . . . . 5287 1 33 . 1 1 19 19 PHE H H 1 7.187 0.057 . 1 . . . . . . . . 5287 1 34 . 1 1 19 19 PHE N N 15 114.061 0.216 . 1 . . . . . . . . 5287 1 35 . 1 1 20 20 ASP H H 1 7.791 0.054 . 1 . . . . . . . . 5287 1 36 . 1 1 20 20 ASP N N 15 117.369 0.249 . 1 . . . . . . . . 5287 1 37 . 1 1 21 21 LYS H H 1 7.681 0.046 . 1 . . . . . . . . 5287 1 38 . 1 1 21 21 LYS N N 15 123.900 0.211 . 1 . . . . . . . . 5287 1 39 . 1 1 22 22 ASP H H 1 8.087 0.039 . 1 . . . . . . . . 5287 1 40 . 1 1 22 22 ASP N N 15 114.039 0.202 . 1 . . . . . . . . 5287 1 41 . 1 1 23 23 GLY H H 1 7.743 0.044 . 1 . . . . . . . . 5287 1 42 . 1 1 23 23 GLY N N 15 109.473 0.218 . 1 . . . . . . . . 5287 1 43 . 1 1 24 24 ASP H H 1 8.532 0.047 . 1 . . . . . . . . 5287 1 44 . 1 1 24 24 ASP N N 15 121.089 0.236 . 1 . . . . . . . . 5287 1 45 . 1 1 25 25 GLY H H 1 10.624 0.044 . 1 . . . . . . . . 5287 1 46 . 1 1 25 25 GLY N N 15 112.903 0.234 . 1 . . . . . . . . 5287 1 47 . 1 1 26 26 THR H H 1 8.247 0.041 . 1 . . . . . . . . 5287 1 48 . 1 1 26 26 THR N N 15 112.208 0.190 . 1 . . . . . . . . 5287 1 49 . 1 1 27 27 ILE H H 1 9.938 0.035 . 1 . . . . . . . . 5287 1 50 . 1 1 27 27 ILE N N 15 126.539 0.170 . 1 . . . . . . . . 5287 1 51 . 1 1 28 28 THR H H 1 8.592 0.060 . 1 . . . . . . . . 5287 1 52 . 1 1 28 28 THR N N 15 116.711 0.225 . 1 . . . . . . . . 5287 1 53 . 1 1 29 29 THR H H 1 9.318 0.038 . 1 . . . . . . . . 5287 1 54 . 1 1 29 29 THR N N 15 112.319 0.189 . 1 . . . . . . . . 5287 1 55 . 1 1 30 30 LYS H H 1 7.634 0.044 . 1 . . . . . . . . 5287 1 56 . 1 1 30 30 LYS N N 15 121.217 0.200 . 1 . . . . . . . . 5287 1 57 . 1 1 31 31 GLU H H 1 7.823 0.042 . 1 . . . . . . . . 5287 1 58 . 1 1 31 31 GLU N N 15 122.134 0.217 . 1 . . . . . . . . 5287 1 59 . 1 1 32 32 LEU H H 1 8.797 0.046 . 1 . . . . . . . . 5287 1 60 . 1 1 32 32 LEU N N 15 120.382 0.232 . 1 . . . . . . . . 5287 1 61 . 1 1 33 33 GLY H H 1 8.905 0.039 . 1 . . . . . . . . 5287 1 62 . 1 1 33 33 GLY N N 15 105.751 0.195 . 1 . . . . . . . . 5287 1 63 . 1 1 34 34 THR H H 1 8.101 0.045 . 1 . . . . . . . . 5287 1 64 . 1 1 34 34 THR N N 15 118.181 0.256 . 1 . . . . . . . . 5287 1 65 . 1 1 35 35 VAL H H 1 7.509 0.061 . 1 . . . . . . . . 5287 1 66 . 1 1 35 35 VAL N N 15 121.947 0.248 . 1 . . . . . . . . 5287 1 67 . 1 1 36 36 MET H H 1 8.475 0.046 . 1 . . . . . . . . 5287 1 68 . 1 1 36 36 MET N N 15 117.388 0.300 . 1 . . . . . . . . 5287 1 69 . 1 1 37 37 ARG H H 1 8.649 0.035 . 1 . . . . . . . . 5287 1 70 . 1 1 37 37 ARG N N 15 118.660 0.232 . 1 . . . . . . . . 5287 1 71 . 1 1 38 38 SER H H 1 8.124 0.056 . 1 . . . . . . . . 5287 1 72 . 1 1 38 38 SER N N 15 119.349 0.285 . 1 . . . . . . . . 5287 1 73 . 1 1 39 39 LEU H H 1 7.380 0.034 . 1 . . . . . . . . 5287 1 74 . 1 1 39 39 LEU N N 15 119.179 0.200 . 1 . . . . . . . . 5287 1 75 . 1 1 40 40 GLY H H 1 7.818 0.044 . 1 . . . . . . . . 5287 1 76 . 1 1 40 40 GLY N N 15 106.783 0.270 . 1 . . . . . . . . 5287 1 77 . 1 1 41 41 GLN H H 1 8.082 0.044 . 1 . . . . . . . . 5287 1 78 . 1 1 41 41 GLN N N 15 118.570 0.276 . 1 . . . . . . . . 5287 1 79 . 1 1 42 42 ASN H H 1 8.625 0.043 . 1 . . . . . . . . 5287 1 80 . 1 1 42 42 ASN N N 15 116.565 0.287 . 1 . . . . . . . . 5287 1 81 . 1 1 44 44 THR H H 1 8.858 0.042 . 1 . . . . . . . . 5287 1 82 . 1 1 44 44 THR N N 15 112.869 0.200 . 1 . . . . . . . . 5287 1 83 . 1 1 45 45 GLU H H 1 8.856 0.037 . 1 . . . . . . . . 5287 1 84 . 1 1 45 45 GLU N N 15 120.681 0.213 . 1 . . . . . . . . 5287 1 85 . 1 1 46 46 ALA H H 1 8.323 0.054 . 1 . . . . . . . . 5287 1 86 . 1 1 46 46 ALA N N 15 120.819 0.297 . 1 . . . . . . . . 5287 1 87 . 1 1 47 47 GLU H H 1 7.752 0.045 . 1 . . . . . . . . 5287 1 88 . 1 1 47 47 GLU N N 15 118.685 0.254 . 1 . . . . . . . . 5287 1 89 . 1 1 48 48 LEU H H 1 8.283 0.037 . 1 . . . . . . . . 5287 1 90 . 1 1 48 48 LEU N N 15 119.762 0.285 . 1 . . . . . . . . 5287 1 91 . 1 1 49 49 GLN H H 1 8.166 0.047 . 1 . . . . . . . . 5287 1 92 . 1 1 49 49 GLN N N 15 117.851 0.198 . 1 . . . . . . . . 5287 1 93 . 1 1 50 50 ASP H H 1 8.101 0.036 . 1 . . . . . . . . 5287 1 94 . 1 1 50 50 ASP N N 15 120.383 0.233 . 1 . . . . . . . . 5287 1 95 . 1 1 51 51 MET H H 1 8.216 0.029 . 1 . . . . . . . . 5287 1 96 . 1 1 51 51 MET N N 15 119.044 0.200 . 1 . . . . . . . . 5287 1 97 . 1 1 52 52 ILE H H 1 7.896 0.046 . 1 . . . . . . . . 5287 1 98 . 1 1 52 52 ILE N N 15 117.489 0.267 . 1 . . . . . . . . 5287 1 99 . 1 1 53 53 ASN H H 1 8.554 0.048 . 1 . . . . . . . . 5287 1 100 . 1 1 53 53 ASN N N 15 117.902 0.220 . 1 . . . . . . . . 5287 1 101 . 1 1 54 54 GLU H H 1 7.440 0.042 . 1 . . . . . . . . 5287 1 102 . 1 1 54 54 GLU N N 15 115.924 0.203 . 1 . . . . . . . . 5287 1 103 . 1 1 55 55 VAL H H 1 7.257 0.054 . 1 . . . . . . . . 5287 1 104 . 1 1 55 55 VAL N N 15 112.409 0.207 . 1 . . . . . . . . 5287 1 105 . 1 1 56 56 ASP H H 1 7.813 0.035 . 1 . . . . . . . . 5287 1 106 . 1 1 56 56 ASP N N 15 121.374 0.220 . 1 . . . . . . . . 5287 1 107 . 1 1 57 57 ALA H H 1 8.163 0.046 . 1 . . . . . . . . 5287 1 108 . 1 1 57 57 ALA N N 15 131.010 0.237 . 1 . . . . . . . . 5287 1 109 . 1 1 58 58 ASP H H 1 8.319 0.029 . 1 . . . . . . . . 5287 1 110 . 1 1 58 58 ASP N N 15 114.226 0.255 . 1 . . . . . . . . 5287 1 111 . 1 1 59 59 GLY H H 1 7.658 0.035 . 1 . . . . . . . . 5287 1 112 . 1 1 59 59 GLY N N 15 108.797 0.237 . 1 . . . . . . . . 5287 1 113 . 1 1 60 60 ASN H H 1 8.253 0.038 . 1 . . . . . . . . 5287 1 114 . 1 1 60 60 ASN N N 15 118.987 0.236 . 1 . . . . . . . . 5287 1 115 . 1 1 61 61 GLY H H 1 10.576 0.038 . 1 . . . . . . . . 5287 1 116 . 1 1 61 61 GLY N N 15 113.218 0.197 . 1 . . . . . . . . 5287 1 117 . 1 1 62 62 THR H H 1 7.707 0.035 . 1 . . . . . . . . 5287 1 118 . 1 1 62 62 THR N N 15 108.662 0.296 . 1 . . . . . . . . 5287 1 119 . 1 1 63 63 ILE H H 1 8.799 0.035 . 1 . . . . . . . . 5287 1 120 . 1 1 63 63 ILE N N 15 123.109 0.217 . 1 . . . . . . . . 5287 1 121 . 1 1 64 64 ASP H H 1 9.191 0.041 . 1 . . . . . . . . 5287 1 122 . 1 1 64 64 ASP N N 15 128.789 0.207 . 1 . . . . . . . . 5287 1 123 . 1 1 65 65 PHE H H 1 9.090 0.036 . 1 . . . . . . . . 5287 1 124 . 1 1 65 65 PHE N N 15 118.875 0.201 . 1 . . . . . . . . 5287 1 125 . 1 1 67 67 GLU H H 1 8.410 0.043 . 1 . . . . . . . . 5287 1 126 . 1 1 67 67 GLU N N 15 117.931 0.244 . 1 . . . . . . . . 5287 1 127 . 1 1 68 68 PHE H H 1 8.869 0.044 . 1 . . . . . . . . 5287 1 128 . 1 1 68 68 PHE N N 15 124.427 0.219 . 1 . . . . . . . . 5287 1 129 . 1 1 69 69 LEU H H 1 8.981 0.036 . 1 . . . . . . . . 5287 1 130 . 1 1 69 69 LEU N N 15 119.743 0.192 . 1 . . . . . . . . 5287 1 131 . 1 1 70 70 THR H H 1 8.005 0.052 . 1 . . . . . . . . 5287 1 132 . 1 1 70 70 THR N N 15 116.703 0.294 . 1 . . . . . . . . 5287 1 133 . 1 1 71 71 MET H H 1 7.597 0.043 . 1 . . . . . . . . 5287 1 134 . 1 1 71 71 MET N N 15 121.929 0.212 . 1 . . . . . . . . 5287 1 135 . 1 1 72 72 MET H H 1 8.097 0.053 . 1 . . . . . . . . 5287 1 136 . 1 1 72 72 MET N N 15 118.954 0.299 . 1 . . . . . . . . 5287 1 137 . 1 1 73 73 ALA H H 1 8.493 0.054 . 1 . . . . . . . . 5287 1 138 . 1 1 73 73 ALA N N 15 122.350 0.309 . 1 . . . . . . . . 5287 1 139 . 1 1 74 74 ARG H H 1 7.860 0.059 . 1 . . . . . . . . 5287 1 140 . 1 1 74 74 ARG N N 15 118.453 0.278 . 1 . . . . . . . . 5287 1 141 . 1 1 75 75 LYS H H 1 8.283 0.017 . 1 . . . . . . . . 5287 1 142 . 1 1 75 75 LYS N N 15 120.684 0.256 . 1 . . . . . . . . 5287 1 143 . 1 1 76 76 MET H H 1 7.785 0.041 . 1 . . . . . . . . 5287 1 144 . 1 1 76 76 MET N N 15 116.840 0.242 . 1 . . . . . . . . 5287 1 145 . 1 1 77 77 LYS H H 1 7.464 0.035 . 1 . . . . . . . . 5287 1 146 . 1 1 77 77 LYS N N 15 117.485 0.226 . 1 . . . . . . . . 5287 1 147 . 1 1 78 78 ASP H H 1 7.855 0.043 . 1 . . . . . . . . 5287 1 148 . 1 1 78 78 ASP N N 15 118.062 0.259 . 1 . . . . . . . . 5287 1 149 . 1 1 79 79 THR H H 1 7.921 0.038 . 1 . . . . . . . . 5287 1 150 . 1 1 79 79 THR N N 15 114.934 0.220 . 1 . . . . . . . . 5287 1 151 . 1 1 80 80 ASP H H 1 8.672 0.040 . 1 . . . . . . . . 5287 1 152 . 1 1 80 80 ASP N N 15 125.592 0.221 . 1 . . . . . . . . 5287 1 153 . 1 1 81 81 SER H H 1 8.663 0.040 . 1 . . . . . . . . 5287 1 154 . 1 1 81 81 SER N N 15 121.128 0.234 . 1 . . . . . . . . 5287 1 155 . 1 1 82 82 GLU H H 1 8.471 0.044 . 1 . . . . . . . . 5287 1 156 . 1 1 82 82 GLU N N 15 121.898 0.213 . 1 . . . . . . . . 5287 1 157 . 1 1 83 83 GLU H H 1 8.067 0.041 . 1 . . . . . . . . 5287 1 158 . 1 1 83 83 GLU N N 15 119.710 0.245 . 1 . . . . . . . . 5287 1 159 . 1 1 84 84 GLU H H 1 7.990 0.049 . 1 . . . . . . . . 5287 1 160 . 1 1 84 84 GLU N N 15 118.197 0.272 . 1 . . . . . . . . 5287 1 161 . 1 1 85 85 ILE H H 1 8.380 0.038 . 1 . . . . . . . . 5287 1 162 . 1 1 85 85 ILE N N 15 120.685 0.387 . 1 . . . . . . . . 5287 1 163 . 1 1 86 86 ARG H H 1 8.449 0.044 . 1 . . . . . . . . 5287 1 164 . 1 1 86 86 ARG N N 15 121.842 0.217 . 1 . . . . . . . . 5287 1 165 . 1 1 87 87 GLU H H 1 8.448 0.045 . 1 . . . . . . . . 5287 1 166 . 1 1 87 87 GLU N N 15 117.462 0.256 . 1 . . . . . . . . 5287 1 167 . 1 1 88 88 ALA H H 1 8.364 0.036 . 1 . . . . . . . . 5287 1 168 . 1 1 88 88 ALA N N 15 122.275 0.203 . 1 . . . . . . . . 5287 1 169 . 1 1 89 89 PHE H H 1 8.676 0.026 . 1 . . . . . . . . 5287 1 170 . 1 1 89 89 PHE N N 15 118.599 0.229 . 1 . . . . . . . . 5287 1 171 . 1 1 90 90 ARG H H 1 7.643 0.044 . 1 . . . . . . . . 5287 1 172 . 1 1 90 90 ARG N N 15 115.076 0.198 . 1 . . . . . . . . 5287 1 173 . 1 1 91 91 VAL H H 1 7.519 0.042 . 1 . . . . . . . . 5287 1 174 . 1 1 91 91 VAL N N 15 118.149 0.213 . 1 . . . . . . . . 5287 1 175 . 1 1 92 92 PHE H H 1 7.321 0.044 . 1 . . . . . . . . 5287 1 176 . 1 1 92 92 PHE N N 15 115.755 0.248 . 1 . . . . . . . . 5287 1 177 . 1 1 93 93 ASP H H 1 8.066 0.054 . 1 . . . . . . . . 5287 1 178 . 1 1 93 93 ASP N N 15 116.613 0.226 . 1 . . . . . . . . 5287 1 179 . 1 1 94 94 LYS H H 1 7.608 0.045 . 1 . . . . . . . . 5287 1 180 . 1 1 94 94 LYS N N 15 125.599 0.244 . 1 . . . . . . . . 5287 1 181 . 1 1 95 95 ASP H H 1 8.346 0.024 . 1 . . . . . . . . 5287 1 182 . 1 1 95 95 ASP N N 15 114.187 0.237 . 1 . . . . . . . . 5287 1 183 . 1 1 96 96 GLY H H 1 7.885 0.050 . 1 . . . . . . . . 5287 1 184 . 1 1 96 96 GLY N N 15 109.451 0.202 . 1 . . . . . . . . 5287 1 185 . 1 1 97 97 ASN H H 1 8.461 0.040 . 1 . . . . . . . . 5287 1 186 . 1 1 97 97 ASN N N 15 119.946 0.322 . 1 . . . . . . . . 5287 1 187 . 1 1 98 98 GLY H H 1 10.711 0.044 . 1 . . . . . . . . 5287 1 188 . 1 1 98 98 GLY N N 15 112.861 0.200 . 1 . . . . . . . . 5287 1 189 . 1 1 99 99 TYR H H 1 7.752 0.049 . 1 . . . . . . . . 5287 1 190 . 1 1 99 99 TYR N N 15 116.295 0.215 . 1 . . . . . . . . 5287 1 191 . 1 1 100 100 ILE H H 1 10.299 0.046 . 1 . . . . . . . . 5287 1 192 . 1 1 100 100 ILE N N 15 127.374 0.195 . 1 . . . . . . . . 5287 1 193 . 1 1 101 101 SER H H 1 9.077 0.038 . 1 . . . . . . . . 5287 1 194 . 1 1 101 101 SER N N 15 123.910 0.186 . 1 . . . . . . . . 5287 1 195 . 1 1 102 102 ALA H H 1 9.414 0.038 . 1 . . . . . . . . 5287 1 196 . 1 1 102 102 ALA N N 15 123.052 0.208 . 1 . . . . . . . . 5287 1 197 . 1 1 103 103 ALA H H 1 8.323 0.045 . 1 . . . . . . . . 5287 1 198 . 1 1 103 103 ALA N N 15 118.501 0.263 . 1 . . . . . . . . 5287 1 199 . 1 1 104 104 GLU H H 1 8.029 0.051 . 1 . . . . . . . . 5287 1 200 . 1 1 104 104 GLU N N 15 120.560 0.279 . 1 . . . . . . . . 5287 1 201 . 1 1 105 105 LEU H H 1 8.601 0.039 . 1 . . . . . . . . 5287 1 202 . 1 1 105 105 LEU N N 15 121.516 0.217 . 1 . . . . . . . . 5287 1 203 . 1 1 106 106 ARG H H 1 8.855 0.041 . 1 . . . . . . . . 5287 1 204 . 1 1 106 106 ARG N N 15 118.439 0.193 . 1 . . . . . . . . 5287 1 205 . 1 1 107 107 HIS H H 1 8.154 0.025 . 1 . . . . . . . . 5287 1 206 . 1 1 107 107 HIS N N 15 120.416 0.207 . 1 . . . . . . . . 5287 1 207 . 1 1 108 108 VAL H H 1 8.025 0.051 . 1 . . . . . . . . 5287 1 208 . 1 1 108 108 VAL N N 15 119.418 0.224 . 1 . . . . . . . . 5287 1 209 . 1 1 109 109 MET H H 1 8.295 0.039 . 1 . . . . . . . . 5287 1 210 . 1 1 109 109 MET N N 15 115.435 0.254 . 1 . . . . . . . . 5287 1 211 . 1 1 110 110 THR H H 1 8.497 0.040 . 1 . . . . . . . . 5287 1 212 . 1 1 110 110 THR N N 15 115.870 0.197 . 1 . . . . . . . . 5287 1 213 . 1 1 111 111 ASN H H 1 8.172 0.038 . 1 . . . . . . . . 5287 1 214 . 1 1 111 111 ASN N N 15 123.715 0.238 . 1 . . . . . . . . 5287 1 215 . 1 1 112 112 LEU H H 1 7.886 0.047 . 1 . . . . . . . . 5287 1 216 . 1 1 112 112 LEU N N 15 118.268 0.396 . 1 . . . . . . . . 5287 1 217 . 1 1 113 113 GLY H H 1 7.808 0.041 . 1 . . . . . . . . 5287 1 218 . 1 1 113 113 GLY N N 15 106.253 0.234 . 1 . . . . . . . . 5287 1 219 . 1 1 114 114 GLU H H 1 8.000 0.036 . 1 . . . . . . . . 5287 1 220 . 1 1 114 114 GLU N N 15 120.957 0.282 . 1 . . . . . . . . 5287 1 221 . 1 1 115 115 LYS H H 1 8.558 0.039 . 1 . . . . . . . . 5287 1 222 . 1 1 115 115 LYS N N 15 124.843 0.198 . 1 . . . . . . . . 5287 1 223 . 1 1 116 116 LEU H H 1 8.098 0.037 . 1 . . . . . . . . 5287 1 224 . 1 1 116 116 LEU N N 15 124.867 0.203 . 1 . . . . . . . . 5287 1 225 . 1 1 117 117 THR H H 1 9.413 0.037 . 1 . . . . . . . . 5287 1 226 . 1 1 117 117 THR N N 15 114.997 0.178 . 1 . . . . . . . . 5287 1 227 . 1 1 118 118 ASP H H 1 8.960 0.039 . 1 . . . . . . . . 5287 1 228 . 1 1 118 118 ASP N N 15 120.966 0.193 . 1 . . . . . . . . 5287 1 229 . 1 1 119 119 GLU H H 1 8.625 0.041 . 1 . . . . . . . . 5287 1 230 . 1 1 119 119 GLU N N 15 119.308 0.202 . 1 . . . . . . . . 5287 1 231 . 1 1 120 120 GLU H H 1 7.759 0.043 . 1 . . . . . . . . 5287 1 232 . 1 1 120 120 GLU N N 15 121.037 0.199 . 1 . . . . . . . . 5287 1 233 . 1 1 121 121 VAL H H 1 8.092 0.031 . 1 . . . . . . . . 5287 1 234 . 1 1 121 121 VAL N N 15 121.962 0.257 . 1 . . . . . . . . 5287 1 235 . 1 1 122 122 ASP H H 1 8.185 0.024 . 1 . . . . . . . . 5287 1 236 . 1 1 122 122 ASP N N 15 120.383 0.222 . 1 . . . . . . . . 5287 1 237 . 1 1 123 123 GLU H H 1 8.336 0.031 . 1 . . . . . . . . 5287 1 238 . 1 1 123 123 GLU N N 15 119.710 0.282 . 1 . . . . . . . . 5287 1 239 . 1 1 124 124 MET H H 1 7.984 0.047 . 1 . . . . . . . . 5287 1 240 . 1 1 124 124 MET N N 15 119.060 0.298 . 1 . . . . . . . . 5287 1 241 . 1 1 125 125 ILE H H 1 8.313 0.059 . 1 . . . . . . . . 5287 1 242 . 1 1 125 125 ILE N N 15 120.462 0.154 . 1 . . . . . . . . 5287 1 243 . 1 1 126 126 ARG H H 1 8.804 0.047 . 1 . . . . . . . . 5287 1 244 . 1 1 126 126 ARG N N 15 118.528 0.222 . 1 . . . . . . . . 5287 1 245 . 1 1 127 127 GLU H H 1 8.018 0.049 . 1 . . . . . . . . 5287 1 246 . 1 1 127 127 GLU N N 15 116.354 0.270 . 1 . . . . . . . . 5287 1 247 . 1 1 128 128 ALA H H 1 7.146 0.047 . 1 . . . . . . . . 5287 1 248 . 1 1 128 128 ALA N N 15 116.690 0.227 . 1 . . . . . . . . 5287 1 249 . 1 1 129 129 ASP H H 1 8.124 0.053 . 1 . . . . . . . . 5287 1 250 . 1 1 129 129 ASP N N 15 118.171 0.276 . 1 . . . . . . . . 5287 1 251 . 1 1 130 130 ILE H H 1 8.284 0.057 . 1 . . . . . . . . 5287 1 252 . 1 1 130 130 ILE N N 15 127.879 0.176 . 1 . . . . . . . . 5287 1 253 . 1 1 131 131 ASP H H 1 8.450 0.050 . 1 . . . . . . . . 5287 1 254 . 1 1 131 131 ASP N N 15 116.766 0.275 . 1 . . . . . . . . 5287 1 255 . 1 1 132 132 GLY H H 1 7.714 0.034 . 1 . . . . . . . . 5287 1 256 . 1 1 132 132 GLY N N 15 108.763 0.281 . 1 . . . . . . . . 5287 1 257 . 1 1 133 133 ASP H H 1 8.445 0.059 . 1 . . . . . . . . 5287 1 258 . 1 1 133 133 ASP N N 15 121.066 0.292 . 1 . . . . . . . . 5287 1 259 . 1 1 134 134 GLY H H 1 10.313 0.040 . 1 . . . . . . . . 5287 1 260 . 1 1 134 134 GLY N N 15 112.720 0.224 . 1 . . . . . . . . 5287 1 261 . 1 1 135 135 GLN H H 1 8.057 0.041 . 1 . . . . . . . . 5287 1 262 . 1 1 135 135 GLN N N 15 115.223 0.252 . 1 . . . . . . . . 5287 1 263 . 1 1 136 136 VAL H H 1 9.231 0.039 . 1 . . . . . . . . 5287 1 264 . 1 1 136 136 VAL N N 15 125.546 0.238 . 1 . . . . . . . . 5287 1 265 . 1 1 137 137 ASN H H 1 9.685 0.040 . 1 . . . . . . . . 5287 1 266 . 1 1 137 137 ASN N N 15 129.190 0.177 . 1 . . . . . . . . 5287 1 267 . 1 1 138 138 TYR H H 1 8.360 0.043 . 1 . . . . . . . . 5287 1 268 . 1 1 138 138 TYR N N 15 118.698 0.275 . 1 . . . . . . . . 5287 1 269 . 1 1 139 139 GLU H H 1 8.109 0.045 . 1 . . . . . . . . 5287 1 270 . 1 1 139 139 GLU N N 15 118.530 0.243 . 1 . . . . . . . . 5287 1 271 . 1 1 140 140 GLU H H 1 8.776 0.049 . 1 . . . . . . . . 5287 1 272 . 1 1 140 140 GLU N N 15 120.053 0.238 . 1 . . . . . . . . 5287 1 273 . 1 1 141 141 PHE H H 1 8.560 0.053 . 1 . . . . . . . . 5287 1 274 . 1 1 141 141 PHE N N 15 124.261 0.218 . 1 . . . . . . . . 5287 1 275 . 1 1 142 142 VAL H H 1 8.724 0.032 . 1 . . . . . . . . 5287 1 276 . 1 1 142 142 VAL N N 15 119.226 0.251 . 1 . . . . . . . . 5287 1 277 . 1 1 143 143 GLN H H 1 7.871 0.042 . 1 . . . . . . . . 5287 1 278 . 1 1 143 143 GLN N N 15 119.353 0.251 . 1 . . . . . . . . 5287 1 279 . 1 1 144 144 MET H H 1 7.472 0.033 . 1 . . . . . . . . 5287 1 280 . 1 1 144 144 MET N N 15 117.413 0.233 . 1 . . . . . . . . 5287 1 281 . 1 1 145 145 MET H H 1 7.585 0.041 . 1 . . . . . . . . 5287 1 282 . 1 1 145 145 MET N N 15 113.259 0.200 . 1 . . . . . . . . 5287 1 283 . 1 1 146 146 THR H H 1 7.568 0.037 . 1 . . . . . . . . 5287 1 284 . 1 1 146 146 THR N N 15 108.741 0.223 . 1 . . . . . . . . 5287 1 285 . 1 1 147 147 ALA H H 1 7.677 0.038 . 1 . . . . . . . . 5287 1 286 . 1 1 147 147 ALA N N 15 126.956 0.211 . 1 . . . . . . . . 5287 1 287 . 1 1 148 148 LYS H H 1 8.072 0.034 . 1 . . . . . . . . 5287 1 288 . 1 1 148 148 LYS N N 15 127.223 0.174 . 1 . . . . . . . . 5287 1 stop_ save_