################################### # 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 19105 _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/HMQC' . . . 19105 1 2 '3D HNCACB' . . . 19105 1 3 'hncocacb_pH65 (H[N[co[{CA|ca[C]}]]])' . . . 19105 1 4 '3D HNCO' . . . 19105 1 5 'hncaco_new (H[N[ca[CO]]])' . . . 19105 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 6 6 PRO C C 13 176.891 0.000 . 1 . . 278 . . 45 PRO C . 19105 1 2 . 1 1 6 6 PRO CA C 13 63.204 0.028 . 1 . . 264 . . 45 PRO CA . 19105 1 3 . 1 1 6 6 PRO CB C 13 31.695 0.034 . 1 . . 259 . . 45 PRO CB . 19105 1 4 . 1 1 7 7 VAL H H 1 8.317 0.001 . 1 . . 26 . . 46 VAL H . 19105 1 5 . 1 1 7 7 VAL C C 13 176.333 0.000 . 1 . . 279 . . 46 VAL C . 19105 1 6 . 1 1 7 7 VAL CA C 13 62.648 0.028 . 1 . . 356 . . 46 VAL CA . 19105 1 7 . 1 1 7 7 VAL CB C 13 32.265 0.059 . 1 . . 204 . . 46 VAL CB . 19105 1 8 . 1 1 7 7 VAL N N 15 120.841 0.001 . 1 . . 25 . . 46 VAL N . 19105 1 9 . 1 1 8 8 ARG H H 1 8.381 0.001 . 1 . . 116 . . 47 ARG H . 19105 1 10 . 1 1 8 8 ARG C C 13 176.145 0.000 . 1 . . 280 . . 47 ARG C . 19105 1 11 . 1 1 8 8 ARG CA C 13 56.383 0.003 . 1 . . 203 . . 47 ARG CA . 19105 1 12 . 1 1 8 8 ARG CB C 13 30.206 0.047 . 1 . . 202 . . 47 ARG CB . 19105 1 13 . 1 1 8 8 ARG N N 15 124.519 0.002 . 1 . . 115 . . 47 ARG N . 19105 1 14 . 1 1 9 9 GLU H H 1 8.500 0.001 . 1 . . 66 . . 48 GLU H . 19105 1 15 . 1 1 9 9 GLU C C 13 176.392 0.000 . 1 . . 281 . . 48 GLU C . 19105 1 16 . 1 1 9 9 GLU CA C 13 56.837 0.002 . 1 . . 358 . . 48 GLU CA . 19105 1 17 . 1 1 9 9 GLU CB C 13 29.640 0.007 . 1 . . 221 . . 48 GLU CB . 19105 1 18 . 1 1 9 9 GLU N N 15 122.264 0.004 . 1 . . 65 . . 48 GLU N . 19105 1 19 . 1 1 10 10 LEU H H 1 8.258 0.001 . 1 . . 126 . . 49 LEU H . 19105 1 20 . 1 1 10 10 LEU C C 13 177.281 0.000 . 1 . . 371 . . 49 LEU C . 19105 1 21 . 1 1 10 10 LEU CA C 13 55.387 0.001 . 1 . . 255 . . 49 LEU CA . 19105 1 22 . 1 1 10 10 LEU CB C 13 41.593 0.013 . 1 . . 222 . . 49 LEU CB . 19105 1 23 . 1 1 10 10 LEU N N 15 122.781 0.035 . 1 . . 125 . . 49 LEU N . 19105 1 24 . 1 1 11 11 GLN H H 1 8.304 0.000 . 1 . . 110 . . 50 GLN H . 19105 1 25 . 1 1 11 11 GLN C C 13 176.328 0.002 . 1 . . 282 . . 50 GLN C . 19105 1 26 . 1 1 11 11 GLN CA C 13 56.311 0.002 . 1 . . 252 . . 50 GLN CA . 19105 1 27 . 1 1 11 11 GLN CB C 13 31.974 0.022 . 1 . . 173 . . 50 GLN CB . 19105 1 28 . 1 1 11 11 GLN N N 15 120.697 0.006 . 1 . . 109 . . 50 GLN N . 19105 1 29 . 1 1 12 12 GLU H H 1 8.357 0.001 . 1 . . 136 . . 51 GLU H . 19105 1 30 . 1 1 12 12 GLU C C 13 174.838 0.003 . 1 . . 283 . . 51 GLU C . 19105 1 31 . 1 1 12 12 GLU CA C 13 58.915 0.001 . 1 . . 276 . . 51 GLU CA . 19105 1 32 . 1 1 12 12 GLU CB C 13 27.786 0.002 . 1 . . 254 . . 51 GLU CB . 19105 1 33 . 1 1 12 12 GLU N N 15 119.965 0.006 . 1 . . 135 . . 51 GLU N . 19105 1 34 . 1 1 13 13 ARG H H 1 8.459 0.002 . 1 . . 72 . . 52 ARG H . 19105 1 35 . 1 1 13 13 ARG C C 13 176.013 0.000 . 1 . . 284 . . 52 ARG C . 19105 1 36 . 1 1 13 13 ARG CA C 13 56.359 0.004 . 1 . . 262 . . 52 ARG CA . 19105 1 37 . 1 1 13 13 ARG CB C 13 28.749 0.018 . 1 . . 172 . . 52 ARG CB . 19105 1 38 . 1 1 13 13 ARG N N 15 122.653 0.013 . 1 . . 71 . . 52 ARG N . 19105 1 39 . 1 1 14 14 CYS H H 1 8.374 0.001 . 1 . . 12 . . 53 CYS H . 19105 1 40 . 1 1 14 14 CYS C C 13 175.819 0.002 . 1 . . 285 . . 53 CYS C . 19105 1 41 . 1 1 14 14 CYS CA C 13 55.839 0.000 . 1 . . 223 . . 53 CYS CA . 19105 1 42 . 1 1 14 14 CYS CB C 13 29.098 0.006 . 1 . . 253 . . 53 CYS CB . 19105 1 43 . 1 1 14 14 CYS N N 15 121.342 0.032 . 1 . . 11 . . 53 CYS N . 19105 1 44 . 1 1 15 15 GLN H H 1 8.389 0.001 . 1 . . 124 . . 54 GLN H . 19105 1 45 . 1 1 15 15 GLN C C 13 176.274 0.000 . 1 . . 286 . . 54 GLN C . 19105 1 46 . 1 1 15 15 GLN CA C 13 56.324 0.002 . 1 . . 205 . . 54 GLN CA . 19105 1 47 . 1 1 15 15 GLN CB C 13 30.108 0.032 . 1 . . 206 . . 54 GLN CB . 19105 1 48 . 1 1 15 15 GLN N N 15 122.232 0.011 . 1 . . 123 . . 54 GLN N . 19105 1 49 . 1 1 16 16 GLN H H 1 8.479 0.001 . 1 . . 74 . . 55 GLN H . 19105 1 50 . 1 1 16 16 GLN C C 13 176.569 0.000 . 1 . . 287 . . 55 GLN C . 19105 1 51 . 1 1 16 16 GLN CA C 13 56.510 0.000 . 1 . . 354 . . 55 GLN CA . 19105 1 52 . 1 1 16 16 GLN CB C 13 29.531 0.000 . 1 . . 219 . . 55 GLN CB . 19105 1 53 . 1 1 16 16 GLN N N 15 121.948 0.001 . 1 . . 73 . . 55 GLN N . 19105 1 54 . 1 1 18 18 ALA H H 1 8.314 0.001 . 1 . . 30 . . 57 ALA H . 19105 1 55 . 1 1 18 18 ALA C C 13 177.659 0.001 . 1 . . 288 . . 57 ALA C . 19105 1 56 . 1 1 18 18 ALA CA C 13 52.620 0.007 . 1 . . 199 . . 57 ALA CA . 19105 1 57 . 1 1 18 18 ALA CB C 13 18.793 0.039 . 1 . . 198 . . 57 ALA CB . 19105 1 58 . 1 1 18 18 ALA N N 15 125.248 0.041 . 1 . . 29 . . 57 ALA N . 19105 1 59 . 1 1 19 19 GLU H H 1 8.367 0.002 . 1 . . 52 . . 58 GLU H . 19105 1 60 . 1 1 19 19 GLU C C 13 177.103 0.000 . 1 . . 289 . . 58 GLU C . 19105 1 61 . 1 1 19 19 GLU CA C 13 56.858 0.000 . 1 . . 269 . . 58 GLU CA . 19105 1 62 . 1 1 19 19 GLU CB C 13 29.823 0.000 . 1 . . 251 . . 58 GLU CB . 19105 1 63 . 1 1 19 19 GLU N N 15 119.971 0.011 . 1 . . 51 . . 58 GLU N . 19105 1 64 . 1 1 20 20 GLY H H 1 8.414 0.001 . 1 . . 8 . . 59 GLY H . 19105 1 65 . 1 1 20 20 GLY C C 13 174.400 0.000 . 1 . . 290 . . 59 GLY C . 19105 1 66 . 1 1 20 20 GLY CA C 13 45.470 0.056 . 1 . . 165 . . 59 GLY CA . 19105 1 67 . 1 1 20 20 GLY N N 15 109.649 0.025 . 1 . . 7 . . 59 GLY N . 19105 1 68 . 1 1 21 21 LEU H H 1 8.059 0.001 . 1 . . 84 . . 60 LEU H . 19105 1 69 . 1 1 21 21 LEU C C 13 177.648 0.000 . 1 . . 291 . . 60 LEU C . 19105 1 70 . 1 1 21 21 LEU CA C 13 55.530 0.057 . 1 . . 164 . . 60 LEU CA . 19105 1 71 . 1 1 21 21 LEU CB C 13 41.717 0.029 . 1 . . 163 . . 60 LEU CB . 19105 1 72 . 1 1 21 21 LEU N N 15 121.515 0.019 . 1 . . 83 . . 60 LEU N . 19105 1 73 . 1 1 22 22 GLU H H 1 8.521 0.002 . 1 . . 34 . . 61 GLU H . 19105 1 74 . 1 1 22 22 GLU C C 13 176.365 0.029 . 1 . . 292 . . 61 GLU C . 19105 1 75 . 1 1 22 22 GLU CA C 13 56.906 0.047 . 1 . . 162 . . 61 GLU CA . 19105 1 76 . 1 1 22 22 GLU CB C 13 29.628 0.067 . 1 . . 161 . . 61 GLU CB . 19105 1 77 . 1 1 22 22 GLU N N 15 120.829 0.01 . 1 . . 33 . . 61 GLU N . 19105 1 78 . 1 1 23 23 TYR H H 1 8.148 0.001 . 1 . . 132 . . 62 TYR H . 19105 1 79 . 1 1 23 23 TYR C C 13 175.824 0.000 . 1 . . 293 . . 62 TYR C . 19105 1 80 . 1 1 23 23 TYR CA C 13 58.392 0.014 . 1 . . 352 . . 62 TYR CA . 19105 1 81 . 1 1 23 23 TYR CB C 13 38.091 0.035 . 1 . . 160 . . 62 TYR CB . 19105 1 82 . 1 1 23 23 TYR N N 15 121.633 0.029 . 1 . . 131 . . 62 TYR N . 19105 1 83 . 1 1 24 24 LYS H H 1 8.030 0.002 . 1 . . 96 . . 63 LYS H . 19105 1 84 . 1 1 24 24 LYS C C 13 176.034 0.000 . 1 . . 294 . . 63 LYS C . 19105 1 85 . 1 1 24 24 LYS CA C 13 56.244 0.033 . 1 . . 350 . . 63 LYS CA . 19105 1 86 . 1 1 24 24 LYS CB C 13 32.486 0.036 . 1 . . 159 . . 63 LYS CB . 19105 1 87 . 1 1 24 24 LYS N N 15 123.450 0.026 . 1 . . 95 . . 63 LYS N . 19105 1 88 . 1 1 25 25 ALA H H 1 8.145 0.002 . 1 . . 88 . . 64 ALA H . 19105 1 89 . 1 1 25 25 ALA C C 13 177.910 0.000 . 1 . . 295 . . 64 ALA C . 19105 1 90 . 1 1 25 25 ALA CA C 13 52.669 0.032 . 1 . . 157 . . 64 ALA CA . 19105 1 91 . 1 1 25 25 ALA CB C 13 18.682 0.034 . 1 . . 158 . . 64 ALA CB . 19105 1 92 . 1 1 25 25 ALA N N 15 124.638 0.014 . 1 . . 87 . . 64 ALA N . 19105 1 93 . 1 1 26 26 SER H H 1 8.202 0.003 . 1 . . 104 . . 65 SER H . 19105 1 94 . 1 1 26 26 SER C C 13 174.769 0.000 . 1 . . 296 . . 65 SER C . 19105 1 95 . 1 1 26 26 SER CA C 13 58.563 0.004 . 1 . . 156 . . 65 SER CA . 19105 1 96 . 1 1 26 26 SER CB C 13 63.505 0.052 . 1 . . 155 . . 65 SER CB . 19105 1 97 . 1 1 26 26 SER N N 15 114.708 0.028 . 1 . . 103 . . 65 SER N . 19105 1 98 . 1 1 27 27 ARG H H 1 8.310 0.003 . 1 . . 24 . . 66 ARG H . 19105 1 99 . 1 1 27 27 ARG C C 13 176.380 0.000 . 1 . . 297 . . 66 ARG C . 19105 1 100 . 1 1 27 27 ARG CA C 13 56.222 0.056 . 1 . . 154 . . 66 ARG CA . 19105 1 101 . 1 1 27 27 ARG CB C 13 30.073 0.039 . 1 . . 153 . . 66 ARG CB . 19105 1 102 . 1 1 27 27 ARG N N 15 122.855 0.046 . 1 . . 23 . . 66 ARG N . 19105 1 103 . 1 1 28 28 SER H H 1 8.298 0.003 . 1 . . 58 . . 67 SER H . 19105 1 104 . 1 1 28 28 SER C C 13 174.953 0.000 . 1 . . 298 . . 67 SER C . 19105 1 105 . 1 1 28 28 SER CA C 13 58.605 0.026 . 1 . . 152 . . 67 SER CA . 19105 1 106 . 1 1 28 28 SER CB C 13 63.715 0.03 . 1 . . 151 . . 67 SER CB . 19105 1 107 . 1 1 28 28 SER N N 15 116.512 0.024 . 1 . . 57 . . 67 SER N . 19105 1 108 . 1 1 29 29 GLY H H 1 8.397 0.002 . 1 . . 6 . . 68 GLY H . 19105 1 109 . 1 1 29 29 GLY C C 13 173.899 0.000 . 1 . . 299 . . 68 GLY C . 19105 1 110 . 1 1 29 29 GLY CA C 13 45.337 0.016 . 1 . . 360 . . 68 GLY CA . 19105 1 111 . 1 1 29 29 GLY N N 15 110.616 0.027 . 1 . . 5 . . 68 GLY N . 19105 1 112 . 1 1 30 30 ASN H H 1 8.347 0.001 . 1 . . 140 . . 69 ASN H . 19105 1 113 . 1 1 30 30 ASN C C 13 175.521 0.000 . 1 . . 300 . . 69 ASN C . 19105 1 114 . 1 1 30 30 ASN CA C 13 53.448 0.01 . 1 . . 186 . . 69 ASN CA . 19105 1 115 . 1 1 30 30 ASN CB C 13 38.747 0.029 . 1 . . 185 . . 69 ASN CB . 19105 1 116 . 1 1 30 30 ASN N N 15 118.848 0.031 . 1 . . 139 . . 69 ASN N . 19105 1 117 . 1 1 31 31 THR H H 1 8.167 0.001 . 1 . . 18 . . 70 THR H . 19105 1 118 . 1 1 31 31 THR C C 13 174.248 0.000 . 1 . . 301 . . 70 THR C . 19105 1 119 . 1 1 31 31 THR CA C 13 62.011 0.025 . 1 . . 190 . . 70 THR CA . 19105 1 120 . 1 1 31 31 THR CB C 13 69.641 0.037 . 1 . . 270 . . 70 THR CB . 19105 1 121 . 1 1 31 31 THR N N 15 114.574 0.024 . 1 . . 17 . . 70 THR N . 19105 1 122 . 1 1 32 32 ALA H H 1 8.314 0.001 . 1 . . 54 . . 71 ALA H . 19105 1 123 . 1 1 32 32 ALA C C 13 177.713 0.000 . 1 . . 302 . . 71 ALA C . 19105 1 124 . 1 1 32 32 ALA CA C 13 52.577 0.038 . 1 . . 189 . . 71 ALA CA . 19105 1 125 . 1 1 32 32 ALA CB C 13 18.856 0.037 . 1 . . 188 . . 71 ALA CB . 19105 1 126 . 1 1 32 32 ALA N N 15 126.295 0.011 . 1 . . 53 . . 71 ALA N . 19105 1 127 . 1 1 33 33 THR H H 1 8.128 0.002 . 1 . . 38 . . 72 THR H . 19105 1 128 . 1 1 33 33 THR C C 13 174.336 0.000 . 1 . . 303 . . 72 THR C . 19105 1 129 . 1 1 33 33 THR CA C 13 61.928 0.027 . 1 . . 187 . . 72 THR CA . 19105 1 130 . 1 1 33 33 THR CB C 13 69.816 0.024 . 1 . . 351 . . 72 THR CB . 19105 1 131 . 1 1 33 33 THR N N 15 114.319 0.031 . 1 . . 37 . . 72 THR N . 19105 1 132 . 1 1 34 34 VAL H H 1 8.136 0.002 . 1 . . 90 . . 73 VAL H . 19105 1 133 . 1 1 34 34 VAL C C 13 175.725 0.000 . 1 . . 304 . . 73 VAL C . 19105 1 134 . 1 1 34 34 VAL CA C 13 62.174 0.035 . 1 . . 271 . . 73 VAL CA . 19105 1 135 . 1 1 34 34 VAL CB C 13 32.432 0.038 . 1 . . 200 . . 73 VAL CB . 19105 1 136 . 1 1 34 34 VAL N N 15 122.411 0.01 . 1 . . 89 . . 73 VAL N . 19105 1 137 . 1 1 35 35 GLU H H 1 8.429 0.001 . 1 . . 56 . . 74 GLU H . 19105 1 138 . 1 1 35 35 GLU C C 13 175.719 0.000 . 1 . . 305 . . 74 GLU C . 19105 1 139 . 1 1 35 35 GLU CA C 13 56.349 0.029 . 1 . . 215 . . 74 GLU CA . 19105 1 140 . 1 1 35 35 GLU CB C 13 30.105 0.03 . 1 . . 214 . . 74 GLU CB . 19105 1 141 . 1 1 35 35 GLU N N 15 125.034 0.004 . 1 . . 55 . . 74 GLU N . 19105 1 142 . 1 1 36 36 VAL H H 1 8.117 0.001 . 1 . . 134 . . 75 VAL H . 19105 1 143 . 1 1 36 36 VAL C C 13 175.134 0.000 . 1 . . 306 . . 75 VAL C . 19105 1 144 . 1 1 36 36 VAL CA C 13 61.978 0.027 . 1 . . 267 . . 75 VAL CA . 19105 1 145 . 1 1 36 36 VAL CB C 13 32.672 0.032 . 1 . . 143 . . 75 VAL CB . 19105 1 146 . 1 1 36 36 VAL N N 15 121.653 0.01 . 1 . . 133 . . 75 VAL N . 19105 1 147 . 1 1 37 37 PHE H H 1 8.433 0.001 . 1 . . 36 . . 76 PHE H . 19105 1 148 . 1 1 37 37 PHE CA C 13 57.274 0.018 . 1 . . 141 . . 76 PHE CA . 19105 1 149 . 1 1 37 37 PHE CB C 13 39.770 0.03 . 1 . . 142 . . 76 PHE CB . 19105 1 150 . 1 1 37 37 PHE N N 15 124.677 0.01 . 1 . . 35 . . 76 PHE N . 19105 1 151 . 1 1 38 38 ILE H H 1 8.276 0.001 . 1 . . 2 . . 77 ILE H . 19105 1 152 . 1 1 38 38 ILE C C 13 175.601 0.000 . 1 . . 307 . . 77 ILE C . 19105 1 153 . 1 1 38 38 ILE CA C 13 60.826 0.045 . 1 . . 355 . . 77 ILE CA . 19105 1 154 . 1 1 38 38 ILE CB C 13 38.533 0.037 . 1 . . 250 . . 77 ILE CB . 19105 1 155 . 1 1 38 38 ILE N N 15 123.693 0.008 . 1 . . 1 . . 77 ILE N . 19105 1 156 . 1 1 39 39 ASP H H 1 8.504 0.002 . 1 . . 112 . . 78 ASP H . 19105 1 157 . 1 1 39 39 ASP C C 13 176.457 0.000 . 1 . . 308 . . 78 ASP C . 19105 1 158 . 1 1 39 39 ASP CA C 13 54.878 0.065 . 1 . . 353 . . 78 ASP CA . 19105 1 159 . 1 1 39 39 ASP CB C 13 40.804 0.029 . 1 . . 150 . . 78 ASP CB . 19105 1 160 . 1 1 39 39 ASP N N 15 125.160 0.026 . 1 . . 111 . . 78 ASP N . 19105 1 161 . 1 1 40 40 GLY H H 1 8.301 0.002 . 1 . . 98 . . 79 GLY H . 19105 1 162 . 1 1 40 40 GLY C C 13 174.108 0.000 . 1 . . 309 . . 79 GLY C . 19105 1 163 . 1 1 40 40 GLY CA C 13 45.455 0.016 . 1 . . 149 . . 79 GLY CA . 19105 1 164 . 1 1 40 40 GLY N N 15 107.874 0.022 . 1 . . 97 . . 79 GLY N . 19105 1 165 . 1 1 41 41 VAL H H 1 7.924 0.001 . 1 . . 48 . . 80 VAL H . 19105 1 166 . 1 1 41 41 VAL C C 13 175.887 0.001 . 1 . . 310 . . 80 VAL C . 19105 1 167 . 1 1 41 41 VAL CA C 13 62.367 0.036 . 1 . . 261 . . 80 VAL CA . 19105 1 168 . 1 1 41 41 VAL CB C 13 32.397 0.045 . 1 . . 148 . . 80 VAL CB . 19105 1 169 . 1 1 41 41 VAL N N 15 120.012 0.018 . 1 . . 47 . . 80 VAL N . 19105 1 170 . 1 1 42 42 GLN H H 1 8.504 0.002 . 1 . . 4 . . 81 GLN H . 19105 1 171 . 1 1 42 42 GLN C C 13 175.956 0.092 . 1 . . 311 . . 81 GLN C . 19105 1 172 . 1 1 42 42 GLN CA C 13 55.726 0.000 . 1 . . 249 . . 81 GLN CA . 19105 1 173 . 1 1 42 42 GLN CB C 13 28.694 0.031 . 1 . . 248 . . 81 GLN CB . 19105 1 174 . 1 1 42 42 GLN N N 15 124.694 0.017 . 1 . . 3 . . 81 GLN N . 19105 1 175 . 1 1 43 43 VAL H H 1 8.243 0.001 . 1 . . 92 . . 82 VAL H . 19105 1 176 . 1 1 43 43 VAL C C 13 176.633 0.001 . 1 . . 312 . . 82 VAL C . 19105 1 177 . 1 1 43 43 VAL CA C 13 62.508 0.038 . 1 . . 268 . . 82 VAL CA . 19105 1 178 . 1 1 43 43 VAL CB C 13 32.182 0.041 . 1 . . 147 . . 82 VAL CB . 19105 1 179 . 1 1 43 43 VAL N N 15 122.349 0.024 . 1 . . 91 . . 82 VAL N . 19105 1 180 . 1 1 44 44 GLY H H 1 8.439 0.001 . 1 . . 50 . . 83 GLY H . 19105 1 181 . 1 1 44 44 GLY C C 13 174.023 0.000 . 1 . . 313 . . 83 GLY C . 19105 1 182 . 1 1 44 44 GLY CA C 13 45.196 0.026 . 1 . . 146 . . 83 GLY CA . 19105 1 183 . 1 1 44 44 GLY N N 15 112.225 0.021 . 1 . . 49 . . 83 GLY N . 19105 1 184 . 1 1 45 45 VAL H H 1 7.924 0.002 . 1 . . 22 . . 84 VAL H . 19105 1 185 . 1 1 45 45 VAL C C 13 176.025 0.000 . 1 . . 314 . . 84 VAL C . 19105 1 186 . 1 1 45 45 VAL CA C 13 62.143 0.029 . 1 . . 273 . . 84 VAL CA . 19105 1 187 . 1 1 45 45 VAL CB C 13 32.295 0.023 . 1 . . 145 . . 84 VAL CB . 19105 1 188 . 1 1 45 45 VAL N N 15 119.308 0.045 . 1 . . 21 . . 84 VAL N . 19105 1 189 . 1 1 46 46 ALA H H 1 8.383 0.002 . 1 . . 62 . . 85 ALA H . 19105 1 190 . 1 1 46 46 ALA C C 13 177.553 0.000 . 1 . . 315 . . 85 ALA C . 19105 1 191 . 1 1 46 46 ALA CA C 13 52.705 0.000 . 1 . . 246 . . 85 ALA CA . 19105 1 192 . 1 1 46 46 ALA CB C 13 18.389 0.035 . 1 . . 245 . . 85 ALA CB . 19105 1 193 . 1 1 46 46 ALA N N 15 127.145 0.05 . 1 . . 61 . . 85 ALA N . 19105 1 194 . 1 1 47 47 GLN H H 1 8.300 0.001 . 1 . . 120 . . 86 GLN H . 19105 1 195 . 1 1 47 47 GLN C C 13 175.464 0.007 . 1 . . 363 . . 86 GLN C . 19105 1 196 . 1 1 47 47 GLN CA C 13 55.841 0.000 . 1 . . 247 . . 86 GLN CA . 19105 1 197 . 1 1 47 47 GLN CB C 13 29.093 0.016 . 1 . . 144 . . 86 GLN CB . 19105 1 198 . 1 1 47 47 GLN N N 15 119.301 0.012 . 1 . . 119 . . 86 GLN N . 19105 1 199 . 1 1 48 48 ASN H H 1 8.447 0.003 . 1 . . 367 . . 87 ASN H . 19105 1 200 . 1 1 48 48 ASN C C 13 173.501 0.000 . 1 . . 368 . . 87 ASN C . 19105 1 201 . 1 1 48 48 ASN CA C 13 51.675 0.000 . 1 . . 369 . . 87 ASN CA . 19105 1 202 . 1 1 48 48 ASN CB C 13 38.584 0.000 . 1 . . 370 . . 87 ASN CB . 19105 1 203 . 1 1 48 48 ASN N N 15 120.542 0.017 . 1 . . 366 . . 87 ASN N . 19105 1 204 . 1 1 49 49 PRO C C 13 177.451 0.000 . 1 . . 316 . . 88 PRO C . 19105 1 205 . 1 1 49 49 PRO CA C 13 63.822 0.001 . 1 . . 266 . . 88 PRO CA . 19105 1 206 . 1 1 49 49 PRO CB C 13 31.519 0.038 . 1 . . 244 . . 88 PRO CB . 19105 1 207 . 1 1 50 50 GLN H H 1 8.341 0.001 . 1 . . 32 . . 89 GLN H . 19105 1 208 . 1 1 50 50 GLN C C 13 176.712 0.000 . 1 . . 317 . . 89 GLN C . 19105 1 209 . 1 1 50 50 GLN CA C 13 56.772 0.002 . 1 . . 218 . . 89 GLN CA . 19105 1 210 . 1 1 50 50 GLN CB C 13 28.502 0.067 . 1 . . 224 . . 89 GLN CB . 19105 1 211 . 1 1 50 50 GLN N N 15 119.166 0.035 . 1 . . 31 . . 89 GLN N . 19105 1 212 . 1 1 51 51 LYS H H 1 8.117 0.001 . 1 . . 130 . . 90 LYS H . 19105 1 213 . 1 1 51 51 LYS C C 13 176.954 0.000 . 1 . . 318 . . 90 LYS C . 19105 1 214 . 1 1 51 51 LYS CA C 13 57.230 0.031 . 1 . . 225 . . 90 LYS CA . 19105 1 215 . 1 1 51 51 LYS CB C 13 32.441 0.039 . 1 . . 226 . . 90 LYS CB . 19105 1 216 . 1 1 51 51 LYS N N 15 121.910 0.003 . 1 . . 129 . . 90 LYS N . 19105 1 217 . 1 1 52 52 LYS H H 1 8.194 0.001 . 1 . . 94 . . 91 LYS H . 19105 1 218 . 1 1 52 52 LYS CA C 13 56.846 0.000 . 1 . . 256 . . 91 LYS CA . 19105 1 219 . 1 1 52 52 LYS CB C 13 32.204 0.000 . 1 . . 364 . . 91 LYS CB . 19105 1 220 . 1 1 52 52 LYS N N 15 121.670 0.007 . 1 . . 93 . . 91 LYS N . 19105 1 221 . 1 1 53 53 MET C C 13 176.447 0.000 . 1 . . 319 . . 92 MET C . 19105 1 222 . 1 1 53 53 MET CA C 13 55.896 0.031 . 1 . . 274 . . 92 MET CA . 19105 1 223 . 1 1 53 53 MET CB C 13 32.310 0.04 . 1 . . 243 . . 92 MET CB . 19105 1 224 . 1 1 54 54 ALA H H 1 8.260 0.001 . 1 . . 68 . . 93 ALA H . 19105 1 225 . 1 1 54 54 ALA C C 13 178.347 0.000 . 1 . . 320 . . 93 ALA C . 19105 1 226 . 1 1 54 54 ALA CA C 13 53.052 0.000 . 1 . . 242 . . 93 ALA CA . 19105 1 227 . 1 1 54 54 ALA CB C 13 18.439 0.035 . 1 . . 171 . . 93 ALA CB . 19105 1 228 . 1 1 54 54 ALA N N 15 124.643 0.013 . 1 . . 67 . . 93 ALA N . 19105 1 229 . 1 1 55 55 GLN H H 1 8.274 0.003 . 1 . . 108 . . 94 GLN H . 19105 1 230 . 1 1 55 55 GLN C C 13 176.645 0.000 . 1 . . 321 . . 94 GLN C . 19105 1 231 . 1 1 55 55 GLN CA C 13 56.518 0.002 . 1 . . 169 . . 94 GLN CA . 19105 1 232 . 1 1 55 55 GLN CB C 13 28.848 0.005 . 1 . . 170 . . 94 GLN CB . 19105 1 233 . 1 1 55 55 GLN N N 15 119.589 0.031 . 1 . . 107 . . 94 GLN N . 19105 1 234 . 1 1 56 56 LYS H H 1 8.270 0.001 . 1 . . 44 . . 95 LYS H . 19105 1 235 . 1 1 56 56 LYS C C 13 177.153 0.000 . 1 . . 322 . . 95 LYS C . 19105 1 236 . 1 1 56 56 LYS CA C 13 57.109 0.044 . 1 . . 357 . . 95 LYS CA . 19105 1 237 . 1 1 56 56 LYS CB C 13 32.052 0.104 . 1 . . 168 . . 95 LYS CB . 19105 1 238 . 1 1 56 56 LYS N N 15 122.457 0.005 . 1 . . 43 . . 95 LYS N . 19105 1 239 . 1 1 57 57 LEU H H 1 8.192 0.001 . 1 . . 122 . . 96 LEU H . 19105 1 240 . 1 1 57 57 LEU C C 13 177.478 0.000 . 1 . . 323 . . 96 LEU C . 19105 1 241 . 1 1 57 57 LEU CA C 13 55.705 0.045 . 1 . . 167 . . 96 LEU CA . 19105 1 242 . 1 1 57 57 LEU CB C 13 41.544 0.035 . 1 . . 166 . . 96 LEU CB . 19105 1 243 . 1 1 57 57 LEU N N 15 122.968 0.019 . 1 . . 121 . . 96 LEU N . 19105 1 244 . 1 1 58 58 ALA H H 1 8.187 0.001 . 1 . . 10 . . 97 ALA H . 19105 1 245 . 1 1 58 58 ALA C C 13 178.166 0.000 . 1 . . 324 . . 97 ALA C . 19105 1 246 . 1 1 58 58 ALA CA C 13 53.037 0.000 . 1 . . 175 . . 97 ALA CA . 19105 1 247 . 1 1 58 58 ALA CB C 13 18.409 0.026 . 1 . . 174 . . 97 ALA CB . 19105 1 248 . 1 1 58 58 ALA N N 15 124.063 0.009 . 1 . . 9 . . 97 ALA N . 19105 1 249 . 1 1 59 59 ALA H H 1 8.128 0.001 . 1 . . 14 . . 98 ALA H . 19105 1 250 . 1 1 59 59 ALA C C 13 178.405 0.000 . 1 . . 325 . . 98 ALA C . 19105 1 251 . 1 1 59 59 ALA CA C 13 53.037 0.065 . 1 . . 197 . . 98 ALA CA . 19105 1 252 . 1 1 59 59 ALA CB C 13 18.415 0.005 . 1 . . 196 . . 98 ALA CB . 19105 1 253 . 1 1 59 59 ALA N N 15 122.679 0.012 . 1 . . 13 . . 98 ALA N . 19105 1 254 . 1 1 60 60 ARG H H 1 8.211 0.002 . 1 . . 46 . . 99 ARG H . 19105 1 255 . 1 1 60 60 ARG C C 13 176.915 0.000 . 1 . . 326 . . 99 ARG C . 19105 1 256 . 1 1 60 60 ARG CA C 13 57.013 0.036 . 1 . . 359 . . 99 ARG CA . 19105 1 257 . 1 1 60 60 ARG CB C 13 29.918 0.027 . 1 . . 227 . . 99 ARG CB . 19105 1 258 . 1 1 60 60 ARG N N 15 119.911 0.016 . 1 . . 45 . . 99 ARG N . 19105 1 259 . 1 1 61 61 ASN H H 1 8.367 0.002 . 1 . . 138 . . 100 ASN H . 19105 1 260 . 1 1 61 61 ASN C C 13 175.692 0.003 . 1 . . 327 . . 100 ASN C . 19105 1 261 . 1 1 61 61 ASN CA C 13 53.634 0.055 . 1 . . 228 . . 100 ASN CA . 19105 1 262 . 1 1 61 61 ASN CB C 13 38.398 0.018 . 1 . . 229 . . 100 ASN CB . 19105 1 263 . 1 1 61 61 ASN N N 15 119.404 0.049 . 1 . . 137 . . 100 ASN N . 19105 1 264 . 1 1 62 62 ALA H H 1 8.252 0.001 . 1 . . 118 . . 101 ALA H . 19105 1 265 . 1 1 62 62 ALA C C 13 178.623 0.000 . 1 . . 328 . . 101 ALA C . 19105 1 266 . 1 1 62 62 ALA CA C 13 53.630 0.084 . 1 . . 210 . . 101 ALA CA . 19105 1 267 . 1 1 62 62 ALA CB C 13 18.377 0.033 . 1 . . 211 . . 101 ALA CB . 19105 1 268 . 1 1 62 62 ALA N N 15 124.385 0.008 . 1 . . 117 . . 101 ALA N . 19105 1 269 . 1 1 63 63 LEU H H 1 8.032 0.001 . 1 . . 82 . . 102 LEU H . 19105 1 270 . 1 1 63 63 LEU C C 13 178.143 0.000 . 1 . . 329 . . 102 LEU C . 19105 1 271 . 1 1 63 63 LEU CA C 13 56.141 0.044 . 1 . . 208 . . 102 LEU CA . 19105 1 272 . 1 1 63 63 LEU CB C 13 41.276 0.034 . 1 . . 209 . . 102 LEU CB . 19105 1 273 . 1 1 63 63 LEU N N 15 119.961 0.019 . 1 . . 81 . . 102 LEU N . 19105 1 274 . 1 1 64 64 ALA H H 1 8.007 0.001 . 1 . . 106 . . 103 ALA H . 19105 1 275 . 1 1 64 64 ALA C C 13 178.464 0.000 . 1 . . 330 . . 103 ALA C . 19105 1 276 . 1 1 64 64 ALA CA C 13 53.488 0.028 . 1 . . 277 . . 103 ALA CA . 19105 1 277 . 1 1 64 64 ALA CB C 13 18.348 0.037 . 1 . . 207 . . 103 ALA CB . 19105 1 278 . 1 1 64 64 ALA N N 15 123.330 0.015 . 1 . . 105 . . 103 ALA N . 19105 1 279 . 1 1 65 65 ALA H H 1 8.010 0.002 . 1 . . 76 . . 104 ALA H . 19105 1 280 . 1 1 65 65 ALA C C 13 178.706 0.000 . 1 . . 331 . . 104 ALA C . 19105 1 281 . 1 1 65 65 ALA CA C 13 53.237 0.034 . 1 . . 213 . . 104 ALA CA . 19105 1 282 . 1 1 65 65 ALA CB C 13 18.296 0.028 . 1 . . 212 . . 104 ALA CB . 19105 1 283 . 1 1 65 65 ALA N N 15 121.642 0.015 . 1 . . 75 . . 104 ALA N . 19105 1 284 . 1 1 66 66 LEU H H 1 7.928 0.002 . 1 . . 78 . . 105 LEU H . 19105 1 285 . 1 1 66 66 LEU C C 13 178.156 0.000 . 1 . . 332 . . 105 LEU C . 19105 1 286 . 1 1 66 66 LEU CA C 13 56.200 0.049 . 1 . . 192 . . 105 LEU CA . 19105 1 287 . 1 1 66 66 LEU CB C 13 41.433 0.027 . 1 . . 191 . . 105 LEU CB . 19105 1 288 . 1 1 66 66 LEU N N 15 120.555 0.027 . 1 . . 77 . . 105 LEU N . 19105 1 289 . 1 1 67 67 LYS H H 1 8.111 0.001 . 1 . . 40 . . 106 LYS H . 19105 1 290 . 1 1 67 67 LYS C C 13 176.961 0.000 . 1 . . 333 . . 106 LYS C . 19105 1 291 . 1 1 67 67 LYS CA C 13 57.272 0.032 . 1 . . 216 . . 106 LYS CA . 19105 1 292 . 1 1 67 67 LYS CB C 13 32.223 0.03 . 1 . . 217 . . 106 LYS CB . 19105 1 293 . 1 1 67 67 LYS N N 15 121.095 0.012 . 1 . . 39 . . 106 LYS N . 19105 1 294 . 1 1 68 68 GLU H H 1 8.204 0.001 . 1 . . 241 . . 107 GLU H . 19105 1 295 . 1 1 68 68 GLU C C 13 177.461 0.000 . 1 . . 334 . . 107 GLU C . 19105 1 296 . 1 1 68 68 GLU CA C 13 57.738 0.03 . 1 . . 263 . . 107 GLU CA . 19105 1 297 . 1 1 68 68 GLU CB C 13 29.463 0.041 . 1 . . 176 . . 107 GLU CB . 19105 1 298 . 1 1 68 68 GLU N N 15 121.078 0.007 . 1 . . 240 . . 107 GLU N . 19105 1 299 . 1 1 69 69 LYS H H 1 8.095 0.001 . 1 . . 16 . . 108 LYS H . 19105 1 300 . 1 1 69 69 LYS C C 13 177.022 0.000 . 1 . . 335 . . 108 LYS C . 19105 1 301 . 1 1 69 69 LYS CA C 13 57.338 0.032 . 1 . . 238 . . 108 LYS CA . 19105 1 302 . 1 1 69 69 LYS CB C 13 32.143 0.036 . 1 . . 239 . . 108 LYS CB . 19105 1 303 . 1 1 69 69 LYS N N 15 120.993 0.02 . 1 . . 15 . . 108 LYS N . 19105 1 304 . 1 1 70 70 GLU H H 1 8.192 0.002 . 1 . . 102 . . 109 GLU H . 19105 1 305 . 1 1 70 70 GLU C C 13 177.570 0.000 . 1 . . 336 . . 109 GLU C . 19105 1 306 . 1 1 70 70 GLU CA C 13 57.763 0.03 . 1 . . 260 . . 109 GLU CA . 19105 1 307 . 1 1 70 70 GLU CB C 13 29.621 0.027 . 1 . . 365 . . 109 GLU CB . 19105 1 308 . 1 1 70 70 GLU N N 15 121.017 0.028 . 1 . . 101 . . 109 GLU N . 19105 1 309 . 1 1 71 71 ILE H H 1 8.123 0.001 . 1 . . 20 . . 110 ILE H . 19105 1 310 . 1 1 71 71 ILE C C 13 176.952 0.000 . 1 . . 337 . . 110 ILE C . 19105 1 311 . 1 1 71 71 ILE CA C 13 62.181 0.017 . 1 . . 349 . . 110 ILE CA . 19105 1 312 . 1 1 71 71 ILE CB C 13 37.954 0.037 . 1 . . 184 . . 110 ILE CB . 19105 1 313 . 1 1 71 71 ILE N N 15 121.476 0.107 . 1 . . 19 . . 110 ILE N . 19105 1 314 . 1 1 72 72 ALA H H 1 8.217 0.003 . 1 . . 80 . . 111 ALA H . 19105 1 315 . 1 1 72 72 ALA C C 13 178.518 0.000 . 1 . . 338 . . 111 ALA C . 19105 1 316 . 1 1 72 72 ALA CA C 13 53.299 0.057 . 1 . . 182 . . 111 ALA CA . 19105 1 317 . 1 1 72 72 ALA CB C 13 18.527 0.022 . 1 . . 183 . . 111 ALA CB . 19105 1 318 . 1 1 72 72 ALA N N 15 126.487 0.024 . 1 . . 79 . . 111 ALA N . 19105 1 319 . 1 1 73 73 GLU H H 1 8.309 0.001 . 1 . . 114 . . 112 GLU H . 19105 1 320 . 1 1 73 73 GLU C C 13 177.074 0.000 . 1 . . 339 . . 112 GLU C . 19105 1 321 . 1 1 73 73 GLU CA C 13 57.106 0.012 . 1 . . 180 . . 112 GLU CA . 19105 1 322 . 1 1 73 73 GLU CB C 13 29.606 0.039 . 1 . . 181 . . 112 GLU CB . 19105 1 323 . 1 1 73 73 GLU N N 15 119.439 0.016 . 1 . . 113 . . 112 GLU N . 19105 1 324 . 1 1 74 74 SER H H 1 8.199 0.002 . 1 . . 64 . . 113 SER H . 19105 1 325 . 1 1 74 74 SER C C 13 175.153 0.000 . 1 . . 340 . . 113 SER C . 19105 1 326 . 1 1 74 74 SER CA C 13 58.884 0.049 . 1 . . 179 . . 113 SER CA . 19105 1 327 . 1 1 74 74 SER CB C 13 63.409 0.026 . 1 . . 265 . . 113 SER CB . 19105 1 328 . 1 1 74 74 SER N N 15 116.392 0.018 . 1 . . 63 . . 113 SER N . 19105 1 329 . 1 1 75 75 LYS H H 1 8.252 0.001 . 1 . . 28 . . 114 LYS H . 19105 1 330 . 1 1 75 75 LYS C C 13 176.962 0.000 . 1 . . 341 . . 114 LYS C . 19105 1 331 . 1 1 75 75 LYS CA C 13 56.839 0.034 . 1 . . 177 . . 114 LYS CA . 19105 1 332 . 1 1 75 75 LYS CB C 13 32.165 0.044 . 1 . . 178 . . 114 LYS CB . 19105 1 333 . 1 1 75 75 LYS N N 15 123.034 0.022 . 1 . . 27 . . 114 LYS N . 19105 1 334 . 1 1 76 76 GLU H H 1 8.209 0.001 . 1 . . 86 . . 115 GLU H . 19105 1 335 . 1 1 76 76 GLU C C 13 176.463 0.000 . 1 . . 342 . . 115 GLU C . 19105 1 336 . 1 1 76 76 GLU CA C 13 57.410 0.032 . 1 . . 361 . . 115 GLU CA . 19105 1 337 . 1 1 76 76 GLU CB C 13 29.622 0.036 . 1 . . 232 . . 115 GLU CB . 19105 1 338 . 1 1 76 76 GLU N N 15 120.465 0.005 . 1 . . 85 . . 115 GLU N . 19105 1 339 . 1 1 77 77 LYS H H 1 8.142 0.001 . 1 . . 231 . . 116 LYS H . 19105 1 340 . 1 1 77 77 LYS C C 13 176.270 0.000 . 1 . . 343 . . 116 LYS C . 19105 1 341 . 1 1 77 77 LYS CA C 13 56.350 0.032 . 1 . . 362 . . 116 LYS CA . 19105 1 342 . 1 1 77 77 LYS CB C 13 32.408 0.000 . 1 . . 237 . . 116 LYS CB . 19105 1 343 . 1 1 77 77 LYS N N 15 121.382 0.002 . 1 . . 230 . . 116 LYS N . 19105 1 344 . 1 1 78 78 HIS H H 1 8.377 0.002 . 1 . . 234 . . 117 HIS H . 19105 1 345 . 1 1 78 78 HIS C C 13 174.835 0.000 . 1 . . 344 . . 117 HIS C . 19105 1 346 . 1 1 78 78 HIS CA C 13 55.866 0.022 . 1 . . 235 . . 117 HIS CA . 19105 1 347 . 1 1 78 78 HIS CB C 13 29.555 0.054 . 1 . . 236 . . 117 HIS CB . 19105 1 348 . 1 1 78 78 HIS N N 15 120.338 0.035 . 1 . . 233 . . 117 HIS N . 19105 1 349 . 1 1 79 79 ILE H H 1 8.117 0.001 . 1 . . 128 . . 118 ILE H . 19105 1 350 . 1 1 79 79 ILE C C 13 175.836 0.000 . 1 . . 345 . . 118 ILE C . 19105 1 351 . 1 1 79 79 ILE CA C 13 61.103 0.049 . 1 . . 275 . . 118 ILE CA . 19105 1 352 . 1 1 79 79 ILE CB C 13 38.117 0.024 . 1 . . 195 . . 118 ILE CB . 19105 1 353 . 1 1 79 79 ILE N N 15 122.284 0.022 . 1 . . 127 . . 118 ILE N . 19105 1 354 . 1 1 80 80 ASN H H 1 8.584 0.001 . 1 . . 70 . . 119 ASN H . 19105 1 355 . 1 1 80 80 ASN C C 13 174.845 0.000 . 1 . . 346 . . 119 ASN C . 19105 1 356 . 1 1 80 80 ASN CA C 13 53.318 0.018 . 1 . . 194 . . 119 ASN CA . 19105 1 357 . 1 1 80 80 ASN CB C 13 38.548 0.029 . 1 . . 193 . . 119 ASN CB . 19105 1 358 . 1 1 80 80 ASN N N 15 122.551 0.018 . 1 . . 69 . . 119 ASN N . 19105 1 359 . 1 1 81 81 ASN H H 1 8.475 0.002 . 1 . . 42 . . 120 ASN H . 19105 1 360 . 1 1 81 81 ASN C C 13 175.455 0.002 . 1 . . 347 . . 120 ASN C . 19105 1 361 . 1 1 81 81 ASN CA C 13 53.560 0.032 . 1 . . 272 . . 120 ASN CA . 19105 1 362 . 1 1 81 81 ASN CB C 13 38.711 0.027 . 1 . . 201 . . 120 ASN CB . 19105 1 363 . 1 1 81 81 ASN N N 15 119.846 0.023 . 1 . . 41 . . 120 ASN N . 19105 1 364 . 1 1 82 82 GLY H H 1 8.335 0.001 . 1 . . 60 . . 121 GLY H . 19105 1 365 . 1 1 82 82 GLY C C 13 173.103 0.000 . 1 . . 348 . . 121 GLY C . 19105 1 366 . 1 1 82 82 GLY CA C 13 45.421 0.025 . 1 . . 220 . . 121 GLY CA . 19105 1 367 . 1 1 82 82 GLY N N 15 109.186 0.023 . 1 . . 59 . . 121 GLY N . 19105 1 368 . 1 1 83 83 ASN H H 1 7.941 0.001 . 1 . . 100 . . 122 ASN H . 19105 1 369 . 1 1 83 83 ASN CA C 13 54.891 0.000 . 1 . . 257 . . 122 ASN CA . 19105 1 370 . 1 1 83 83 ASN CB C 13 40.159 0.000 . 1 . . 258 . . 122 ASN CB . 19105 1 371 . 1 1 83 83 ASN N N 15 123.971 0.012 . 1 . . 99 . . 122 ASN N . 19105 1 stop_ save_