################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25339 _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 _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' . . isotropic 25339 1 2 '3D 1H-15N NOESY' . . isotropic 25339 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25339 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.Ambiguity_set_ID _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 GLY H H 1 8.668 . . 1 . . 277 . . 25 GLY H . 25339 1 2 . 1 1 3 3 GLY N N 15 111.502 . . 1 . . 278 . . 25 GLY N . 25339 1 3 . 1 1 4 4 ALA H H 1 8.348 . . 1 . . 201 . . 26 ALA H . 25339 1 4 . 1 1 4 4 ALA N N 15 124.044 . . 1 . . 202 . . 26 ALA N . 25339 1 5 . 1 1 5 5 GLU H H 1 8.494 . . 1 . . 302 . . 27 GLU H . 25339 1 6 . 1 1 5 5 GLU N N 15 119.652 . . 1 . . 301 . . 27 GLU N . 25339 1 7 . 1 1 6 6 GLY H H 1 8.360 . . 1 . . 269 . . 28 GLY H . 25339 1 8 . 1 1 6 6 GLY N N 15 109.311 . . 1 . . 270 . . 28 GLY N . 25339 1 9 . 1 1 7 7 PHE H H 1 8.065 . . 1 . . 310 . . 29 PHE H . 25339 1 10 . 1 1 7 7 PHE N N 15 119.872 . . 1 . . 309 . . 29 PHE N . 25339 1 11 . 1 1 8 8 ARG H H 1 8.167 . . 1 . . 267 . . 30 ARG H . 25339 1 12 . 1 1 8 8 ARG N N 15 122.904 . . 1 . . 268 . . 30 ARG N . 25339 1 13 . 1 1 9 9 LYS H H 1 8.373 . . 1 . . 223 . . 31 LYS H . 25339 1 14 . 1 1 9 9 LYS N N 15 122.827 . . 1 . . 224 . . 31 LYS N . 25339 1 15 . 1 1 10 10 ARG H H 1 8.656 . . 1 . . 346 . . 32 ARG H . 25339 1 16 . 1 1 10 10 ARG N N 15 122.211 . . 1 . . 345 . . 32 ARG N . 25339 1 17 . 1 1 11 11 GLY H H 1 7.692 . . 1 . . 221 . . 33 GLY H . 25339 1 18 . 1 1 11 11 GLY N N 15 108.728 . . 1 . . 222 . . 33 GLY N . 25339 1 19 . 1 1 13 13 SER H H 1 8.196 . . 1 . . 255 . . 35 SER H . 25339 1 20 . 1 1 13 13 SER N N 15 111.845 . . 1 . . 256 . . 35 SER N . 25339 1 21 . 1 1 14 14 VAL H H 1 8.975 . . 1 . . 257 . . 36 VAL H . 25339 1 22 . 1 1 14 14 VAL N N 15 127.251 . . 1 . . 258 . . 36 VAL N . 25339 1 23 . 1 1 15 15 THR H H 1 8.530 . . 1 . . 259 . . 37 THR H . 25339 1 24 . 1 1 15 15 THR N N 15 113.618 . . 1 . . 260 . . 37 THR N . 25339 1 25 . 1 1 16 16 ALA H H 1 7.790 . . 1 . . 261 . . 38 ALA H . 25339 1 26 . 1 1 16 16 ALA N N 15 123.295 . . 1 . . 262 . . 38 ALA N . 25339 1 27 . 1 1 17 17 LYS H H 1 8.158 . . 1 . . 263 . . 39 LYS H . 25339 1 28 . 1 1 17 17 LYS N N 15 117.879 . . 1 . . 264 . . 39 LYS N . 25339 1 29 . 1 1 18 18 VAL H H 1 8.676 0.0 . 1 . . 265 . . 40 VAL H . 25339 1 30 . 1 1 18 18 VAL N N 15 119.012 0.015 . 1 . . 266 . . 40 VAL N . 25339 1 31 . 1 1 19 19 PHE H H 1 8.132 0.024 . 1 . . 311 . . 41 PHE H . 25339 1 32 . 1 1 19 19 PHE N N 15 120.068 . . 1 . . 312 . . 41 PHE N . 25339 1 33 . 1 1 20 20 PHE H H 1 8.941 . . 1 . . 251 . . 42 PHE H . 25339 1 34 . 1 1 20 20 PHE N N 15 115.625 . . 1 . . 252 . . 42 PHE N . 25339 1 35 . 1 1 21 21 ASP H H 1 9.188 . . 1 . . 235 . . 43 ASP H . 25339 1 36 . 1 1 21 21 ASP N N 15 124.953 . . 1 . . 236 . . 43 ASP N . 25339 1 37 . 1 1 22 22 VAL H H 1 8.816 . . 1 . . 315 . . 44 VAL H . 25339 1 38 . 1 1 22 22 VAL N N 15 123.589 . . 1 . . 316 . . 44 VAL N . 25339 1 39 . 1 1 23 23 ARG H H 1 9.308 . . 1 . . 237 . . 45 ARG H . 25339 1 40 . 1 1 23 23 ARG N N 15 130.724 . . 1 . . 238 . . 45 ARG N . 25339 1 41 . 1 1 24 24 ILE H H 1 8.809 . . 1 . . 239 . . 46 ILE H . 25339 1 42 . 1 1 24 24 ILE N N 15 126.516 . . 1 . . 240 . . 46 ILE N . 25339 1 43 . 1 1 25 25 GLY H H 1 9.292 . . 1 . . 241 . . 47 GLY H . 25339 1 44 . 1 1 25 25 GLY N N 15 119.224 . . 1 . . 242 . . 47 GLY N . 25339 1 45 . 1 1 26 26 ASP H H 1 8.761 . . 1 . . 243 . . 48 ASP H . 25339 1 46 . 1 1 26 26 ASP N N 15 126.429 . . 1 . . 244 . . 48 ASP N . 25339 1 47 . 1 1 27 27 LYS H H 1 7.927 . . 1 . . 91 . . 49 LYS H . 25339 1 48 . 1 1 27 27 LYS N N 15 120.705 . . 1 . . 92 . . 49 LYS N . 25339 1 49 . 1 1 28 28 ASP H H 1 8.896 . . 1 . . 93 . . 50 ASP H . 25339 1 50 . 1 1 28 28 ASP N N 15 127.898 . . 1 . . 94 . . 50 ASP N . 25339 1 51 . 1 1 29 29 VAL H H 1 8.300 . . 1 . . 296 . . 51 VAL H . 25339 1 52 . 1 1 29 29 VAL N N 15 117.949 . . 1 . . 295 . . 51 VAL N . 25339 1 53 . 1 1 30 30 GLY H H 1 7.751 0.001 . 1 . . 95 . . 52 GLY H . 25339 1 54 . 1 1 30 30 GLY N N 15 108.096 . . 1 . . 96 . . 52 GLY N . 25339 1 55 . 1 1 31 31 ARG H H 1 8.107 . . 1 . . 106 . . 53 ARG H . 25339 1 56 . 1 1 31 31 ARG N N 15 119.975 . . 1 . . 107 . . 53 ARG N . 25339 1 57 . 1 1 32 32 ILE H H 1 9.418 0.004 . 1 . . 292 . . 54 ILE H . 25339 1 58 . 1 1 32 32 ILE N N 15 125.871 . . 1 . . 291 . . 54 ILE N . 25339 1 59 . 1 1 33 33 VAL H H 1 8.748 . . 1 . . 219 . . 55 VAL H . 25339 1 60 . 1 1 33 33 VAL N N 15 125.699 . . 1 . . 220 . . 55 VAL N . 25339 1 61 . 1 1 34 34 ILE H H 1 9.580 . . 1 . . 108 . . 56 ILE H . 25339 1 62 . 1 1 34 34 ILE N N 15 128.753 . . 1 . . 109 . . 56 ILE N . 25339 1 63 . 1 1 35 35 GLY H H 1 9.372 . . 1 . . 110 . . 57 GLY H . 25339 1 64 . 1 1 35 35 GLY N N 15 114.019 . . 1 . . 111 . . 57 GLY N . 25339 1 65 . 1 1 36 36 LEU H H 1 8.206 . . 1 . . 43 . . 58 LEU H . 25339 1 66 . 1 1 36 36 LEU N N 15 123.563 . . 1 . . 44 . . 58 LEU N . 25339 1 67 . 1 1 37 37 PHE H H 1 7.556 . . 1 . . 45 . . 59 PHE H . 25339 1 68 . 1 1 37 37 PHE N N 15 121.962 . . 1 . . 46 . . 59 PHE N . 25339 1 69 . 1 1 38 38 GLY H H 1 7.956 . . 1 . . 47 . . 60 GLY H . 25339 1 70 . 1 1 38 38 GLY N N 15 108.801 . . 1 . . 48 . . 60 GLY N . 25339 1 71 . 1 1 39 39 LYS H H 1 9.191 . . 1 . . 49 . . 61 LYS H . 25339 1 72 . 1 1 39 39 LYS N N 15 116.547 . . 1 . . 50 . . 61 LYS N . 25339 1 73 . 1 1 40 40 VAL H H 1 7.386 . . 1 . . 51 . . 62 VAL H . 25339 1 74 . 1 1 40 40 VAL N N 15 119.619 . . 1 . . 52 . . 62 VAL N . 25339 1 75 . 1 1 41 41 VAL H H 1 7.428 . . 1 . . 53 . . 63 VAL H . 25339 1 76 . 1 1 41 41 VAL N N 15 111.417 . . 1 . . 54 . . 63 VAL N . 25339 1 77 . 1 1 43 43 LYS H H 1 10.783 . . 1 . . 112 . . 65 LYS H . 25339 1 78 . 1 1 43 43 LYS N N 15 121.721 . . 1 . . 113 . . 65 LYS N . 25339 1 79 . 1 1 44 44 THR H H 1 10.174 . . 1 . . 114 . . 66 THR H . 25339 1 80 . 1 1 44 44 THR N N 15 123.887 . . 1 . . 115 . . 66 THR N . 25339 1 81 . 1 1 45 45 VAL H H 1 8.835 . . 1 . . 116 . . 67 VAL H . 25339 1 82 . 1 1 45 45 VAL N N 15 124.905 . . 1 . . 117 . . 67 VAL N . 25339 1 83 . 1 1 46 46 GLU H H 1 8.622 . . 1 . . 118 . . 68 GLU H . 25339 1 84 . 1 1 46 46 GLU N N 15 119.725 . . 1 . . 119 . . 68 GLU N . 25339 1 85 . 1 1 47 47 ASN H H 1 7.230 . . 1 . . 120 . . 69 ASN H . 25339 1 86 . 1 1 47 47 ASN N N 15 114.754 . . 1 . . 121 . . 69 ASN N . 25339 1 87 . 1 1 48 48 PHE H H 1 7.419 . . 1 . . 122 . . 70 PHE H . 25339 1 88 . 1 1 48 48 PHE N N 15 119.826 . . 1 . . 123 . . 70 PHE N . 25339 1 89 . 1 1 49 49 VAL H H 1 8.845 . . 1 . . 124 . . 71 VAL H . 25339 1 90 . 1 1 49 49 VAL N N 15 115.936 . . 1 . . 125 . . 71 VAL N . 25339 1 91 . 1 1 50 50 ALA H H 1 7.902 . . 1 . . 126 . . 72 ALA H . 25339 1 92 . 1 1 50 50 ALA N N 15 119.729 . . 1 . . 127 . . 72 ALA N . 25339 1 93 . 1 1 51 51 LEU H H 1 8.323 . . 1 . . 128 . . 73 LEU H . 25339 1 94 . 1 1 51 51 LEU N N 15 120.465 . . 1 . . 129 . . 73 LEU N . 25339 1 95 . 1 1 52 52 ALA H H 1 8.501 . . 1 . . 130 . . 74 ALA H . 25339 1 96 . 1 1 52 52 ALA N N 15 125.684 . . 1 . . 131 . . 74 ALA N . 25339 1 97 . 1 1 53 53 THR H H 1 8.702 . . 1 . . 132 . . 75 THR H . 25339 1 98 . 1 1 53 53 THR N N 15 106.988 . . 1 . . 133 . . 75 THR N . 25339 1 99 . 1 1 54 54 GLY H H 1 7.757 . . 1 . . 134 . . 76 GLY H . 25339 1 100 . 1 1 54 54 GLY N N 15 109.446 . . 1 . . 135 . . 76 GLY N . 25339 1 101 . 1 1 55 55 GLU H H 1 8.022 . . 1 . . 306 . . 77 GLU H . 25339 1 102 . 1 1 55 55 GLU N N 15 119.904 . . 1 . . 305 . . 77 GLU N . 25339 1 103 . 1 1 56 56 LYS H H 1 9.215 . . 1 . . 138 . . 78 LYS H . 25339 1 104 . 1 1 56 56 LYS N N 15 117.480 . . 1 . . 139 . . 78 LYS N . 25339 1 105 . 1 1 57 57 GLY H H 1 7.903 . . 1 . . 146 . . 79 GLY H . 25339 1 106 . 1 1 57 57 GLY N N 15 105.660 . . 1 . . 147 . . 79 GLY N . 25339 1 107 . 1 1 58 58 TYR H H 1 6.399 . . 1 . . 67 . . 80 TYR H . 25339 1 108 . 1 1 58 58 TYR N N 15 115.031 . . 1 . . 68 . . 80 TYR N . 25339 1 109 . 1 1 59 59 GLY H H 1 8.651 . . 1 . . 69 . . 81 GLY H . 25339 1 110 . 1 1 59 59 GLY N N 15 105.188 . . 1 . . 70 . . 81 GLY N . 25339 1 111 . 1 1 60 60 TYR H H 1 7.306 . . 1 . . 36 . . 82 TYR H . 25339 1 112 . 1 1 60 60 TYR N N 15 113.892 . . 1 . . 37 . . 82 TYR N . 25339 1 113 . 1 1 61 61 LYS H H 1 8.733 . . 1 . . 71 . . 83 LYS H . 25339 1 114 . 1 1 61 61 LYS N N 15 124.423 . . 1 . . 72 . . 83 LYS N . 25339 1 115 . 1 1 62 62 GLY H H 1 9.268 . . 1 . . 73 . . 84 GLY H . 25339 1 116 . 1 1 62 62 GLY N N 15 117.164 . . 1 . . 74 . . 84 GLY N . 25339 1 117 . 1 1 63 63 SER H H 1 8.298 . . 1 . . 75 . . 85 SER H . 25339 1 118 . 1 1 63 63 SER N N 15 116.594 . . 1 . . 76 . . 85 SER N . 25339 1 119 . 1 1 64 64 LYS H H 1 8.547 . . 1 . . 77 . . 86 LYS H . 25339 1 120 . 1 1 64 64 LYS N N 15 114.891 . . 1 . . 78 . . 86 LYS N . 25339 1 121 . 1 1 65 65 PHE H H 1 8.647 . . 1 . . 79 . . 87 PHE H . 25339 1 122 . 1 1 65 65 PHE N N 15 120.646 . . 1 . . 286 . . 87 PHE N . 25339 1 123 . 1 1 66 66 HIS H H 1 7.693 . . 1 . . 80 . . 88 HIS H . 25339 1 124 . 1 1 66 66 HIS N N 15 120.625 . . 1 . . 81 . . 88 HIS N . 25339 1 125 . 1 1 67 67 ARG H H 1 7.079 . . 1 . . 82 . . 89 ARG H . 25339 1 126 . 1 1 67 67 ARG N N 15 123.821 . . 1 . . 83 . . 89 ARG N . 25339 1 127 . 1 1 68 68 VAL H H 1 9.261 . . 1 . . 84 . . 90 VAL H . 25339 1 128 . 1 1 68 68 VAL N N 15 128.367 . . 1 . . 85 . . 90 VAL N . 25339 1 129 . 1 1 69 69 ILE H H 1 8.471 . . 1 . . 288 . . 91 ILE H . 25339 1 130 . 1 1 69 69 ILE N N 15 125.082 . . 1 . . 86 . . 91 ILE N . 25339 1 131 . 1 1 70 70 LYS H H 1 9.036 . . 1 . . 40 . . 92 LYS H . 25339 1 132 . 1 1 70 70 LYS N N 15 129.417 . . 1 . . 283 . . 92 LYS N . 25339 1 133 . 1 1 71 71 ASP H H 1 9.722 . . 1 . . 324 . . 93 ASP H . 25339 1 134 . 1 1 71 71 ASP N N 15 118.419 . . 1 . . 323 . . 93 ASP N . 25339 1 135 . 1 1 72 72 PHE H H 1 8.300 . . 1 . . 281 . . 94 PHE H . 25339 1 136 . 1 1 72 72 PHE N N 15 114.251 . . 1 . . 282 . . 94 PHE N . 25339 1 137 . 1 1 73 73 MET H H 1 8.498 . . 1 . . 13 . . 95 MET H . 25339 1 138 . 1 1 73 73 MET N N 15 114.816 . . 1 . . 14 . . 95 MET N . 25339 1 139 . 1 1 74 74 ILE H H 1 7.920 . . 1 . . 215 . . 96 ILE H . 25339 1 140 . 1 1 74 74 ILE N N 15 111.522 . . 1 . . 216 . . 96 ILE N . 25339 1 141 . 1 1 75 75 GLN H H 1 9.047 . . 1 . . 326 . . 97 GLN H . 25339 1 142 . 1 1 75 75 GLN N N 15 125.655 . . 1 . . 325 . . 97 GLN N . 25339 1 143 . 1 1 76 76 GLY H H 1 7.742 . . 1 . . 31 . . 98 GLY H . 25339 1 144 . 1 1 76 76 GLY N N 15 109.783 . . 1 . . 32 . . 98 GLY N . 25339 1 145 . 1 1 78 78 ASP H H 1 10.160 . . 1 . . 217 . . 100 ASP H . 25339 1 146 . 1 1 78 78 ASP N N 15 124.858 . . 1 . . 218 . . 100 ASP N . 25339 1 147 . 1 1 80 80 THR H H 1 7.968 . . 1 . . 328 . . 102 THR H . 25339 1 148 . 1 1 80 80 THR N N 15 108.860 . . 1 . . 327 . . 102 THR N . 25339 1 149 . 1 1 81 81 THR H H 1 9.082 0.002 . 1 . . 55 . . 103 THR H . 25339 1 150 . 1 1 81 81 THR N N 15 119.458 . . 1 . . 56 . . 103 THR N . 25339 1 151 . 1 1 82 82 GLY H H 1 8.527 . . 1 . . 57 . . 104 GLY H . 25339 1 152 . 1 1 82 82 GLY N N 15 107.986 . . 1 . . 58 . . 104 GLY N . 25339 1 153 . 1 1 83 83 ASP H H 1 7.663 . . 1 . . 59 . . 105 ASP H . 25339 1 154 . 1 1 83 83 ASP N N 15 117.344 . . 1 . . 60 . . 105 ASP N . 25339 1 155 . 1 1 84 84 GLY H H 1 9.669 . . 1 . . 193 . . 106 GLY H . 25339 1 156 . 1 1 84 84 GLY N N 15 111.285 . . 1 . . 194 . . 106 GLY N . 25339 1 157 . 1 1 85 85 THR H H 1 8.187 . . 1 . . 195 . . 107 THR H . 25339 1 158 . 1 1 85 85 THR N N 15 113.451 . . 1 . . 196 . . 107 THR N . 25339 1 159 . 1 1 86 86 GLY H H 1 8.644 . . 1 . . 199 . . 108 GLY H . 25339 1 160 . 1 1 86 86 GLY N N 15 113.348 . . 1 . . 200 . . 108 GLY N . 25339 1 161 . 1 1 87 87 GLY H H 1 8.274 . . 1 . . 203 . . 109 GLY H . 25339 1 162 . 1 1 87 87 GLY N N 15 107.048 . . 1 . . 204 . . 109 GLY N . 25339 1 163 . 1 1 88 88 VAL H H 1 7.321 . . 1 . . 205 . . 110 VAL H . 25339 1 164 . 1 1 88 88 VAL N N 15 115.919 . . 1 . . 206 . . 110 VAL N . 25339 1 165 . 1 1 89 89 SER H H 1 7.543 . . 1 . . 172 . . 111 SER H . 25339 1 166 . 1 1 89 89 SER N N 15 115.798 . . 1 . . 173 . . 111 SER N . 25339 1 167 . 1 1 90 90 ILE H H 1 8.628 . . 1 . . 330 . . 112 ILE H . 25339 1 168 . 1 1 90 90 ILE N N 15 112.117 . . 1 . . 329 . . 112 ILE N . 25339 1 169 . 1 1 91 91 TYR H H 1 7.925 0.0 . 1 . . 308 . . 113 TYR H . 25339 1 170 . 1 1 91 91 TYR N N 15 120.170 . . 1 . . 307 . . 113 TYR N . 25339 1 171 . 1 1 92 92 GLY H H 1 7.135 . . 1 . . 174 . . 114 GLY H . 25339 1 172 . 1 1 92 92 GLY N N 15 106.447 . . 1 . . 175 . . 114 GLY N . 25339 1 173 . 1 1 93 93 GLU H H 1 9.264 . . 1 . . 176 . . 115 GLU H . 25339 1 174 . 1 1 93 93 GLU N N 15 123.678 . . 1 . . 177 . . 115 GLU N . 25339 1 175 . 1 1 94 94 THR H H 1 7.402 . . 1 . . 178 . . 116 THR H . 25339 1 176 . 1 1 94 94 THR N N 15 101.465 . . 1 . . 290 . . 116 THR N . 25339 1 177 . 1 1 95 95 PHE H H 1 8.870 . . 1 . . 179 . . 117 PHE H . 25339 1 178 . 1 1 95 95 PHE N N 15 116.218 . . 1 . . 180 . . 117 PHE N . 25339 1 179 . 1 1 97 97 ASP H H 1 9.291 . . 1 . . 156 . . 119 ASP H . 25339 1 180 . 1 1 97 97 ASP N N 15 120.361 . . 1 . . 157 . . 119 ASP N . 25339 1 181 . 1 1 98 98 GLU H H 1 9.266 . . 1 . . 158 . . 120 GLU H . 25339 1 182 . 1 1 98 98 GLU N N 15 131.855 . . 1 . . 159 . . 120 GLU N . 25339 1 183 . 1 1 99 99 ASN H H 1 6.981 . . 1 . . 160 . . 121 ASN H . 25339 1 184 . 1 1 99 99 ASN N N 15 106.415 . . 1 . . 161 . . 121 ASN N . 25339 1 185 . 1 1 100 100 PHE H H 1 8.331 . . 1 . . 334 . . 122 PHE H . 25339 1 186 . 1 1 100 100 PHE N N 15 113.134 . . 1 . . 333 . . 122 PHE N . 25339 1 187 . 1 1 101 101 LYS H H 1 8.456 . . 1 . . 304 . . 123 LYS H . 25339 1 188 . 1 1 101 101 LYS N N 15 119.820 . . 1 . . 303 . . 123 LYS N . 25339 1 189 . 1 1 102 102 LEU H H 1 7.858 . . 1 . . 87 . . 124 LEU H . 25339 1 190 . 1 1 102 102 LEU N N 15 114.136 . . 1 . . 88 . . 124 LEU N . 25339 1 191 . 1 1 103 103 LYS H H 1 5.759 . . 1 . . 61 . . 125 LYS H . 25339 1 192 . 1 1 103 103 LYS N N 15 118.507 . . 1 . . 62 . . 125 LYS N . 25339 1 193 . 1 1 104 104 HIS H H 1 9.617 . . 1 . . 63 . . 126 HIS H . 25339 1 194 . 1 1 104 104 HIS N N 15 116.567 . . 1 . . 64 . . 126 HIS N . 25339 1 195 . 1 1 105 105 TYR H H 1 5.997 . . 1 . . 65 . . 127 TYR H . 25339 1 196 . 1 1 105 105 TYR N N 15 116.552 . . 1 . . 66 . . 127 TYR N . 25339 1 197 . 1 1 106 106 GLY H H 1 6.954 0.021 . 1 . . 285 . . 128 GLY H . 25339 1 198 . 1 1 106 106 GLY N N 15 100.417 . . 1 . . 289 . . 128 GLY N . 25339 1 199 . 1 1 107 107 ILE H H 1 8.874 . . 1 . . 348 . . 129 ILE H . 25339 1 200 . 1 1 107 107 ILE N N 15 124.390 . . 1 . . 347 . . 129 ILE N . 25339 1 201 . 1 1 108 108 GLY H H 1 9.336 . . 1 . . 273 . . 130 GLY H . 25339 1 202 . 1 1 108 108 GLY N N 15 114.907 . . 1 . . 274 . . 130 GLY N . 25339 1 203 . 1 1 109 109 TRP H H 1 8.337 . . 1 . . 320 . . 131 TRP H . 25339 1 204 . 1 1 109 109 TRP N N 15 123.246 . . 1 . . 319 . . 131 TRP N . 25339 1 205 . 1 1 110 110 VAL H H 1 8.353 . . 1 . . 136 . . 132 VAL H . 25339 1 206 . 1 1 110 110 VAL N N 15 121.302 . . 1 . . 137 . . 132 VAL N . 25339 1 207 . 1 1 111 111 SER H H 1 8.164 . . 1 . . 140 . . 133 SER H . 25339 1 208 . 1 1 111 111 SER N N 15 121.213 . . 1 . . 141 . . 133 SER N . 25339 1 209 . 1 1 112 112 MET H H 1 8.591 . . 1 . . 336 . . 134 MET H . 25339 1 210 . 1 1 112 112 MET N N 15 124.072 . . 1 . . 335 . . 134 MET N . 25339 1 211 . 1 1 113 113 ALA H H 1 8.320 0.006 . 1 . . 142 . . 135 ALA H . 25339 1 212 . 1 1 113 113 ALA N N 15 126.940 . . 1 . . 143 . . 135 ALA N . 25339 1 213 . 1 1 115 115 ALA H H 1 8.576 . . 1 . . 318 . . 137 ALA H . 25339 1 214 . 1 1 115 115 ALA N N 15 123.857 . . 1 . . 317 . . 137 ALA N . 25339 1 215 . 1 1 116 116 GLY H H 1 8.193 . . 1 . . 144 . . 138 GLY H . 25339 1 216 . 1 1 116 116 GLY N N 15 110.770 . . 1 . . 145 . . 138 GLY N . 25339 1 217 . 1 1 118 118 ASP H H 1 8.538 . . 1 . . 338 . . 140 ASP H . 25339 1 218 . 1 1 118 118 ASP N N 15 120.233 . . 1 . . 337 . . 140 ASP N . 25339 1 219 . 1 1 119 119 THR H H 1 10.241 0.005 . 1 . . 1 . . 141 THR H . 25339 1 220 . 1 1 119 119 THR N N 15 110.507 . . 1 . . 2 . . 141 THR N . 25339 1 221 . 1 1 120 120 ASN H H 1 6.901 . . 1 . . 5 . . 142 ASN H . 25339 1 222 . 1 1 120 120 ASN N N 15 118.269 . . 1 . . 6 . . 142 ASN N . 25339 1 223 . 1 1 121 121 GLY H H 1 9.419 . . 1 . . 11 . . 143 GLY H . 25339 1 224 . 1 1 121 121 GLY N N 15 110.406 . . 1 . . 12 . . 143 GLY N . 25339 1 225 . 1 1 122 122 SER H H 1 8.638 . . 1 . . 7 . . 144 SER H . 25339 1 226 . 1 1 122 122 SER N N 15 116.590 . . 1 . . 8 . . 144 SER N . 25339 1 227 . 1 1 124 124 PHE H H 1 8.305 . . 1 . . 298 . . 146 PHE H . 25339 1 228 . 1 1 124 124 PHE N N 15 118.294 . . 1 . . 297 . . 146 PHE N . 25339 1 229 . 1 1 125 125 PHE H H 1 9.996 0.005 . 1 . . 19 . . 147 PHE H . 25339 1 230 . 1 1 125 125 PHE N N 15 116.488 . . 1 . . 20 . . 147 PHE N . 25339 1 231 . 1 1 126 126 ILE H H 1 9.075 . . 1 . . 21 . . 148 ILE H . 25339 1 232 . 1 1 126 126 ILE N N 15 117.948 . . 1 . . 22 . . 148 ILE N . 25339 1 233 . 1 1 127 127 THR H H 1 9.529 . . 1 . . 23 . . 149 THR H . 25339 1 234 . 1 1 127 127 THR N N 15 115.661 . . 1 . . 24 . . 149 THR N . 25339 1 235 . 1 1 128 128 LEU H H 1 8.411 . . 1 . . 25 . . 150 LEU H . 25339 1 236 . 1 1 128 128 LEU N N 15 121.723 . . 1 . . 26 . . 150 LEU N . 25339 1 237 . 1 1 129 129 THR H H 1 7.681 . . 1 . . 27 . . 151 THR H . 25339 1 238 . 1 1 129 129 THR N N 15 115.524 . . 1 . . 28 . . 151 THR N . 25339 1 239 . 1 1 130 130 LYS H H 1 8.129 . . 1 . . 29 . . 152 LYS H . 25339 1 240 . 1 1 130 130 LYS N N 15 121.929 . . 1 . . 30 . . 152 LYS N . 25339 1 241 . 1 1 132 132 THR H H 1 7.695 . . 1 . . 166 . . 154 THR H . 25339 1 242 . 1 1 132 132 THR N N 15 118.021 . . 1 . . 167 . . 154 THR N . 25339 1 243 . 1 1 133 133 TRP H H 1 7.252 . . 1 . . 168 . . 155 TRP H . 25339 1 244 . 1 1 133 133 TRP N N 15 117.976 . . 1 . . 169 . . 155 TRP N . 25339 1 245 . 1 1 134 134 LEU H H 1 7.145 . . 1 . . 170 . . 156 LEU H . 25339 1 246 . 1 1 134 134 LEU N N 15 119.216 . . 1 . . 171 . . 156 LEU N . 25339 1 247 . 1 1 135 135 ASP H H 1 7.459 . . 1 . . 3 . . 157 ASP H . 25339 1 248 . 1 1 135 135 ASP N N 15 122.396 . . 1 . . 4 . . 157 ASP N . 25339 1 249 . 1 1 136 136 GLY H H 1 9.607 . . 1 . . 162 . . 158 GLY H . 25339 1 250 . 1 1 136 136 GLY N N 15 111.966 . . 1 . . 163 . . 158 GLY N . 25339 1 251 . 1 1 137 137 LYS H H 1 7.828 . . 1 . . 164 . . 159 LYS H . 25339 1 252 . 1 1 137 137 LYS N N 15 114.696 . . 1 . . 165 . . 159 LYS N . 25339 1 253 . 1 1 138 138 HIS H H 1 7.347 . . 1 . . 15 . . 160 HIS H . 25339 1 254 . 1 1 138 138 HIS N N 15 118.819 . . 1 . . 16 . . 160 HIS N . 25339 1 255 . 1 1 140 140 VAL H H 1 9.674 . . 1 . . 148 . . 162 VAL H . 25339 1 256 . 1 1 140 140 VAL N N 15 133.977 . . 1 . . 149 . . 162 VAL N . 25339 1 257 . 1 1 141 141 PHE H H 1 8.226 . . 1 . . 294 . . 163 PHE H . 25339 1 258 . 1 1 141 141 PHE N N 15 117.501 . . 1 . . 293 . . 163 PHE N . 25339 1 259 . 1 1 142 142 GLY H H 1 7.526 . . 1 . . 150 . . 164 GLY H . 25339 1 260 . 1 1 142 142 GLY N N 15 108.611 . . 1 . . 151 . . 164 GLY N . 25339 1 261 . 1 1 143 143 LYS H H 1 8.540 . . 1 . . 300 . . 165 LYS H . 25339 1 262 . 1 1 143 143 LYS N N 15 118.338 . . 1 . . 299 . . 165 LYS N . 25339 1 263 . 1 1 144 144 VAL H H 1 9.356 . . 1 . . 152 . . 166 VAL H . 25339 1 264 . 1 1 144 144 VAL N N 15 127.620 . . 1 . . 153 . . 166 VAL N . 25339 1 265 . 1 1 145 145 ILE H H 1 8.911 . . 1 . . 154 . . 167 ILE H . 25339 1 266 . 1 1 145 145 ILE N N 15 125.370 . . 1 . . 155 . . 167 ILE N . 25339 1 267 . 1 1 146 146 ASP H H 1 7.862 . . 1 . . 33 . . 168 ASP H . 25339 1 268 . 1 1 146 146 ASP N N 15 119.823 . . 1 . . 287 . . 168 ASP N . 25339 1 269 . 1 1 147 147 GLY H H 1 8.413 . . 1 . . 34 . . 169 GLY H . 25339 1 270 . 1 1 147 147 GLY N N 15 109.476 . . 1 . . 35 . . 169 GLY N . 25339 1 271 . 1 1 148 148 MET H H 1 8.983 0.002 . 1 . . 38 . . 170 MET H . 25339 1 272 . 1 1 148 148 MET N N 15 121.928 . . 1 . . 39 . . 170 MET N . 25339 1 273 . 1 1 149 149 THR H H 1 8.626 . . 1 . . 344 . . 171 THR H . 25339 1 274 . 1 1 149 149 THR N N 15 111.945 . . 1 . . 343 . . 171 THR N . 25339 1 275 . 1 1 150 150 VAL H H 1 7.257 . . 1 . . 245 . . 172 VAL H . 25339 1 276 . 1 1 150 150 VAL N N 15 124.580 . . 1 . . 246 . . 172 VAL N . 25339 1 277 . 1 1 151 151 VAL H H 1 7.271 . . 1 . . 225 . . 173 VAL H . 25339 1 278 . 1 1 151 151 VAL N N 15 119.235 . . 1 . . 226 . . 173 VAL N . 25339 1 279 . 1 1 152 152 HIS H H 1 8.446 . . 1 . . 227 . . 174 HIS H . 25339 1 280 . 1 1 152 152 HIS N N 15 115.264 . . 1 . . 228 . . 174 HIS N . 25339 1 281 . 1 1 153 153 SER H H 1 7.983 . . 1 . . 229 . . 175 SER H . 25339 1 282 . 1 1 153 153 SER N N 15 117.154 . . 1 . . 230 . . 175 SER N . 25339 1 283 . 1 1 154 154 ILE H H 1 7.657 . . 1 . . 231 . . 176 ILE H . 25339 1 284 . 1 1 154 154 ILE N N 15 122.548 . . 1 . . 232 . . 176 ILE N . 25339 1 285 . 1 1 155 155 GLU H H 1 7.946 . . 1 . . 233 . . 177 GLU H . 25339 1 286 . 1 1 155 155 GLU N N 15 117.919 . . 1 . . 234 . . 177 GLU N . 25339 1 287 . 1 1 156 156 LEU H H 1 7.089 . . 1 . . 183 . . 178 LEU H . 25339 1 288 . 1 1 156 156 LEU N N 15 113.026 . . 1 . . 184 . . 178 LEU N . 25339 1 289 . 1 1 157 157 GLN H H 1 7.718 . . 1 . . 185 . . 179 GLN H . 25339 1 290 . 1 1 157 157 GLN N N 15 119.491 . . 1 . . 186 . . 179 GLN N . 25339 1 291 . 1 1 158 158 ALA H H 1 8.473 . . 1 . . 187 . . 180 ALA H . 25339 1 292 . 1 1 158 158 ALA N N 15 124.200 . . 1 . . 188 . . 180 ALA N . 25339 1 293 . 1 1 159 159 THR H H 1 8.513 . . 1 . . 189 . . 181 THR H . 25339 1 294 . 1 1 159 159 THR N N 15 111.776 . . 1 . . 190 . . 181 THR N . 25339 1 295 . 1 1 160 160 ASP H H 1 8.398 . . 1 . . 191 . . 182 ASP H . 25339 1 296 . 1 1 160 160 ASP N N 15 119.118 . . 1 . . 192 . . 182 ASP N . 25339 1 297 . 1 1 161 161 GLY H H 1 8.554 . . 1 . . 279 . . 183 GLY H . 25339 1 298 . 1 1 161 161 GLY N N 15 104.899 . . 1 . . 280 . . 183 GLY N . 25339 1 299 . 1 1 162 162 HIS H H 1 8.722 . . 1 . . 275 . . 184 HIS H . 25339 1 300 . 1 1 162 162 HIS N N 15 119.147 . . 1 . . 276 . . 184 HIS N . 25339 1 301 . 1 1 163 163 ASP H H 1 8.340 . . 1 . . 332 . . 185 ASP H . 25339 1 302 . 1 1 163 163 ASP N N 15 113.477 . . 1 . . 331 . . 185 ASP N . 25339 1 303 . 1 1 164 164 ARG H H 1 8.457 . . 1 . . 197 . . 186 ARG H . 25339 1 304 . 1 1 164 164 ARG N N 15 121.223 . . 1 . . 198 . . 186 ARG N . 25339 1 305 . 1 1 166 166 LEU H H 1 8.595 0.003 . 1 . . 17 . . 188 LEU H . 25339 1 306 . 1 1 166 166 LEU N N 15 125.360 . . 1 . . 18 . . 188 LEU N . 25339 1 307 . 1 1 167 167 THR H H 1 8.192 . . 1 . . 342 . . 189 THR H . 25339 1 308 . 1 1 167 167 THR N N 15 117.086 . . 1 . . 341 . . 189 THR N . 25339 1 309 . 1 1 168 168 ASN H H 1 8.527 . . 1 . . 253 . . 190 ASN H . 25339 1 310 . 1 1 168 168 ASN N N 15 120.402 . . 1 . . 254 . . 190 ASN N . 25339 1 311 . 1 1 169 169 CYS H H 1 9.783 . . 1 . . 247 . . 191 CYS H . 25339 1 312 . 1 1 169 169 CYS N N 15 125.200 . . 1 . . 248 . . 191 CYS N . 25339 1 313 . 1 1 170 170 SER H H 1 9.308 . . 1 . . 9 . . 192 SER H . 25339 1 314 . 1 1 170 170 SER N N 15 118.322 . . 1 . . 10 . . 192 SER N . 25339 1 315 . 1 1 171 171 ILE H H 1 8.853 . . 1 . . 314 . . 193 ILE H . 25339 1 316 . 1 1 171 171 ILE N N 15 123.429 . . 1 . . 313 . . 193 ILE N . 25339 1 317 . 1 1 172 172 ILE H H 1 8.743 . . 1 . . 249 . . 194 ILE H . 25339 1 318 . 1 1 172 172 ILE N N 15 125.077 . . 1 . . 250 . . 194 ILE N . 25339 1 319 . 1 1 173 173 ASN H H 1 7.741 . . 1 . . 213 . . 195 ASN H . 25339 1 320 . 1 1 173 173 ASN N N 15 114.523 . . 1 . . 214 . . 195 ASN N . 25339 1 321 . 1 1 174 174 SER H H 1 8.171 . . 1 . . 340 . . 196 SER H . 25339 1 322 . 1 1 174 174 SER N N 15 117.064 . . 1 . . 339 . . 196 SER N . 25339 1 323 . 1 1 175 175 GLY H H 1 6.680 0.009 . 1 . . 207 . . 197 GLY H . 25339 1 324 . 1 1 175 175 GLY N N 15 105.502 . . 1 . . 208 . . 197 GLY N . 25339 1 325 . 1 1 176 176 LYS H H 1 8.745 0.009 . 1 . . 209 . . 198 LYS H . 25339 1 326 . 1 1 176 176 LYS N N 15 118.761 . . 1 . . 210 . . 198 LYS N . 25339 1 327 . 1 1 177 177 ILE H H 1 8.357 . . 1 . . 322 . . 199 ILE H . 25339 1 328 . 1 1 177 177 ILE N N 15 123.143 . . 1 . . 321 . . 199 ILE N . 25339 1 329 . 1 1 178 178 ASP H H 1 8.742 . . 1 . . 211 . . 200 ASP H . 25339 1 330 . 1 1 178 178 ASP N N 15 126.841 . . 1 . . 212 . . 200 ASP N . 25339 1 331 . 1 1 179 179 VAL H H 1 8.831 . . 1 . . 350 . . 201 VAL H . 25339 1 332 . 1 1 179 179 VAL N N 15 124.219 . . 1 . . 349 . . 201 VAL N . 25339 1 333 . 1 1 181 181 THR H H 1 7.738 . . 1 . . 181 . . 203 THR H . 25339 1 334 . 1 1 181 181 THR N N 15 113.724 . . 1 . . 182 . . 203 THR N . 25339 1 335 . 1 1 183 183 PHE H H 1 7.069 . . 1 . . 41 . . 205 PHE H . 25339 1 336 . 1 1 183 183 PHE N N 15 116.479 . . 1 . . 42 . . 205 PHE N . 25339 1 337 . 1 1 184 184 VAL H H 1 8.505 . . 1 . . 89 . . 206 VAL H . 25339 1 338 . 1 1 184 184 VAL N N 15 121.522 . . 1 . . 90 . . 206 VAL N . 25339 1 339 . 1 1 185 185 VAL H H 1 8.081 . . 1 . . 97 . . 207 VAL H . 25339 1 340 . 1 1 185 185 VAL N N 15 128.309 . . 1 . . 98 . . 207 VAL N . 25339 1 341 . 1 1 186 186 GLU H H 1 8.295 . . 1 . . 271 . . 208 GLU H . 25339 1 342 . 1 1 186 186 GLU N N 15 125.170 . . 1 . . 272 . . 208 GLU N . 25339 1 343 . 1 1 187 187 ILE H H 1 8.336 . . 1 . . 99 . . 209 ILE H . 25339 1 344 . 1 1 187 187 ILE N N 15 124.760 . . 1 . . 100 . . 209 ILE N . 25339 1 345 . 1 1 188 188 ALA H H 1 8.468 . . 1 . . 101 . . 210 ALA H . 25339 1 346 . 1 1 188 188 ALA N N 15 128.539 . . 1 . . 102 . . 210 ALA N . 25339 1 347 . 1 1 189 189 ASP H H 1 8.354 . . 1 . . 103 . . 211 ASP H . 25339 1 348 . 1 1 189 189 ASP N N 15 115.436 . . 1 . . 104 . . 211 ASP N . 25339 1 349 . 1 1 190 190 TRP H H 1 7.521 . . 1 . . 284 . . 212 TRP H . 25339 1 350 . 1 1 190 190 TRP N N 15 125.749 . . 1 . . 105 . . 212 TRP N . 25339 1 stop_ save_