################################### # 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 17195 _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' . . . 17195 1 2 '3D HNCO' . . . 17195 1 3 '3D HNCACB' . . . 17195 1 4 '3D CBCA(CO)NH' . . . 17195 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 2 $NMRView . . 17195 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 7 7 HIS C C 13 176.865 0.06 . 1 . . . . -17 H C . 17195 1 2 . 1 1 12 12 SER C C 13 174.150 0.06 . 1 . . . . -12 S C . 17195 1 3 . 1 1 12 12 SER CA C 13 58.741 0.25 . 1 . . . . -12 S CA . 17195 1 4 . 1 1 12 12 SER CB C 13 63.874 0.25 . 1 . . . . -12 S CB . 17195 1 5 . 1 1 13 13 GLY H H 1 8.392 0.01 . 1 . . . . -11 G HN . 17195 1 6 . 1 1 13 13 GLY C C 13 173.845 0.06 . 1 . . . . -11 G C . 17195 1 7 . 1 1 13 13 GLY CA C 13 45.309 0.25 . 1 . . . . -11 G CA . 17195 1 8 . 1 1 13 13 GLY N N 15 110.558 0.06 . 1 . . . . -11 G N . 17195 1 9 . 1 1 14 14 LEU H H 1 8.048 0.01 . 1 . . . . -10 L HN . 17195 1 10 . 1 1 14 14 LEU C C 13 177.059 0.06 . 1 . . . . -10 L C . 17195 1 11 . 1 1 14 14 LEU CA C 13 55.165 0.25 . 1 . . . . -10 L CA . 17195 1 12 . 1 1 14 14 LEU CB C 13 42.495 0.25 . 1 . . . . -10 L CB . 17195 1 13 . 1 1 14 14 LEU N N 15 121.539 0.06 . 1 . . . . -10 L N . 17195 1 14 . 1 1 15 15 VAL H H 1 8.090 0.01 . 1 . . . . -9 V HN . 17195 1 15 . 1 1 15 15 VAL CA C 13 59.843 0.25 . 1 . . . . -9 V CA . 17195 1 16 . 1 1 15 15 VAL CB C 13 32.713 0.25 . 1 . . . . -9 V CB . 17195 1 17 . 1 1 15 15 VAL N N 15 122.550 0.06 . 1 . . . . -9 V N . 17195 1 18 . 1 1 16 16 PRO CA C 13 63.142 0.25 . 1 . . . . -8 P CA . 17195 1 19 . 1 1 16 16 PRO CB C 13 32.130 0.25 . 1 . . . . -8 P CB . 17195 1 20 . 1 1 17 17 GLU H H 1 8.474 0.01 . 1 . . . . -7 E HN . 17195 1 21 . 1 1 17 17 GLU CA C 13 56.463 0.25 . 1 . . . . -7 E CA . 17195 1 22 . 1 1 17 17 GLU CB C 13 30.930 0.25 . 1 . . . . -7 E CB . 17195 1 23 . 1 1 17 17 GLU N N 15 121.967 0.06 . 1 . . . . -7 E N . 17195 1 24 . 1 1 18 18 GLY H H 1 8.473 0.01 . 1 . . . . -6 G HN . 17195 1 25 . 1 1 18 18 GLY C C 13 175.318 0.06 . 1 . . . . -6 G C . 17195 1 26 . 1 1 18 18 GLY CA C 13 45.375 0.25 . 1 . . . . -6 G CA . 17195 1 27 . 1 1 18 18 GLY N N 15 110.292 0.06 . 1 . . . . -6 G N . 17195 1 28 . 1 1 19 19 SER H H 1 8.216 0.01 . 1 . . . . -5 S HN . 17195 1 29 . 1 1 19 19 SER CA C 13 58.566 0.25 . 1 . . . . -5 S CA . 17195 1 30 . 1 1 19 19 SER CB C 13 63.947 0.25 . 1 . . . . -5 S CB . 17195 1 31 . 1 1 19 19 SER N N 15 115.553 0.06 . 1 . . . . -5 S N . 17195 1 32 . 1 1 20 20 HIS CA C 13 56.547 0.25 . 1 . . . . -4 H CA . 17195 1 33 . 1 1 20 20 HIS CB C 13 30.461 0.25 . 1 . . . . -4 H CB . 17195 1 34 . 1 1 21 21 MET H H 1 8.223 0.01 . 1 . . . . -3 M HN . 17195 1 35 . 1 1 21 21 MET C C 13 178.134 0.06 . 1 . . . . -3 M C . 17195 1 36 . 1 1 21 21 MET CA C 13 55.454 0.25 . 1 . . . . -3 M CA . 17195 1 37 . 1 1 21 21 MET CB C 13 32.988 0.25 . 1 . . . . -3 M CB . 17195 1 38 . 1 1 21 21 MET N N 15 121.440 0.06 . 1 . . . . -3 M N . 17195 1 39 . 1 1 22 22 ALA H H 1 8.366 0.01 . 1 . . . . -2 A HN . 17195 1 40 . 1 1 22 22 ALA CA C 13 52.748 0.25 . 1 . . . . -2 A CA . 17195 1 41 . 1 1 22 22 ALA CB C 13 19.288 0.25 . 1 . . . . -2 A CB . 17195 1 42 . 1 1 22 22 ALA N N 15 125.283 0.06 . 1 . . . . -2 A N . 17195 1 43 . 1 1 23 23 SER H H 1 8.282 0.01 . 1 . . . . -1 S HN . 17195 1 44 . 1 1 23 23 SER CA C 13 58.578 0.25 . 1 . . . . -1 S CA . 17195 1 45 . 1 1 23 23 SER CB C 13 63.890 0.25 . 1 . . . . -1 S CB . 17195 1 46 . 1 1 23 23 SER N N 15 114.928 0.06 . 1 . . . . -1 S N . 17195 1 47 . 1 1 24 24 GLY H H 1 8.356 0.01 . 1 . . . . 154 G HN . 17195 1 48 . 1 1 24 24 GLY C C 13 173.383 0.06 . 1 . . . . 154 G C . 17195 1 49 . 1 1 24 24 GLY CA C 13 45.099 0.25 . 1 . . . . 154 G CA . 17195 1 50 . 1 1 24 24 GLY N N 15 110.643 0.06 . 1 . . . . 154 G N . 17195 1 51 . 1 1 25 25 ALA H H 1 8.018 0.01 . 1 . . . . 155 A HN . 17195 1 52 . 1 1 25 25 ALA CA C 13 50.589 0.25 . 1 . . . . 155 A CA . 17195 1 53 . 1 1 25 25 ALA CB C 13 18.705 0.25 . 1 . . . . 155 A CB . 17195 1 54 . 1 1 25 25 ALA N N 15 123.985 0.06 . 1 . . . . 155 A N . 17195 1 55 . 1 1 26 26 PRO C C 13 176.961 0.06 . 1 . . . . 156 P C . 17195 1 56 . 1 1 26 26 PRO CA C 13 63.010 0.25 . 1 . . . . 156 P CA . 17195 1 57 . 1 1 26 26 PRO CB C 13 31.652 0.25 . 1 . . . . 156 P CB . 17195 1 58 . 1 1 27 27 VAL H H 1 8.073 0.01 . 1 . . . . 157 V HN . 17195 1 59 . 1 1 27 27 VAL CA C 13 62.492 0.25 . 1 . . . . 157 V CA . 17195 1 60 . 1 1 27 27 VAL CB C 13 32.585 0.25 . 1 . . . . 157 V CB . 17195 1 61 . 1 1 27 27 VAL N N 15 119.075 0.06 . 1 . . . . 157 V N . 17195 1 62 . 1 1 28 28 SER H H 1 8.148 0.01 . 1 . . . . 158 S HN . 17195 1 63 . 1 1 28 28 SER CA C 13 58.084 0.25 . 1 . . . . 158 S CA . 17195 1 64 . 1 1 28 28 SER CB C 13 63.901 0.25 . 1 . . . . 158 S CB . 17195 1 65 . 1 1 28 28 SER N N 15 117.124 0.06 . 1 . . . . 158 S N . 17195 1 66 . 1 1 29 29 SER H H 1 7.944 0.01 . 1 . . . . 159 S HN . 17195 1 67 . 1 1 29 29 SER CA C 13 56.399 0.25 . 1 . . . . 159 S CA . 17195 1 68 . 1 1 29 29 SER CB C 13 63.463 0.25 . 1 . . . . 159 S CB . 17195 1 69 . 1 1 29 29 SER N N 15 118.585 0.06 . 1 . . . . 159 S N . 17195 1 70 . 1 1 30 30 PRO C C 13 178.201 0.06 . 1 . . . . 160 P C . 17195 1 71 . 1 1 30 30 PRO CA C 13 65.059 0.25 . 1 . . . . 160 P CA . 17195 1 72 . 1 1 30 30 PRO CB C 13 32.000 0.25 . 1 . . . . 160 P CB . 17195 1 73 . 1 1 31 31 GLU H H 1 8.460 0.01 . 1 . . . . 161 E HN . 17195 1 74 . 1 1 31 31 GLU CA C 13 58.813 0.25 . 1 . . . . 161 E CA . 17195 1 75 . 1 1 31 31 GLU CB C 13 29.437 0.25 . 1 . . . . 161 E CB . 17195 1 76 . 1 1 31 31 GLU N N 15 117.770 0.06 . 1 . . . . 161 E N . 17195 1 77 . 1 1 32 32 TYR H H 1 7.531 0.01 . 1 . . . . 162 Y HN . 17195 1 78 . 1 1 32 32 TYR C C 13 177.822 0.06 . 1 . . . . 162 Y C . 17195 1 79 . 1 1 32 32 TYR CA C 13 59.064 0.25 . 1 . . . . 162 Y CA . 17195 1 80 . 1 1 32 32 TYR CB C 13 36.950 0.25 . 1 . . . . 162 Y CB . 17195 1 81 . 1 1 32 32 TYR N N 15 118.997 0.06 . 1 . . . . 162 Y N . 17195 1 82 . 1 1 33 33 THR H H 1 8.144 0.01 . 1 . . . . 163 T HN . 17195 1 83 . 1 1 33 33 THR C C 13 176.187 0.06 . 1 . . . . 163 T C . 17195 1 84 . 1 1 33 33 THR CA C 13 66.809 0.25 . 1 . . . . 163 T CA . 17195 1 85 . 1 1 33 33 THR CB C 13 68.626 0.25 . 1 . . . . 163 T CB . 17195 1 86 . 1 1 33 33 THR N N 15 115.021 0.06 . 1 . . . . 163 T N . 17195 1 87 . 1 1 34 34 LYS H H 1 7.970 0.01 . 1 . . . . 164 K HN . 17195 1 88 . 1 1 34 34 LYS C C 13 178.450 0.06 . 1 . . . . 164 K C . 17195 1 89 . 1 1 34 34 LYS CA C 13 59.230 0.25 . 1 . . . . 164 K CA . 17195 1 90 . 1 1 34 34 LYS CB C 13 32.284 0.25 . 1 . . . . 164 K CB . 17195 1 91 . 1 1 34 34 LYS N N 15 120.985 0.06 . 1 . . . . 164 K N . 17195 1 92 . 1 1 35 35 LYS H H 1 7.469 0.01 . 1 . . . . 165 K HN . 17195 1 93 . 1 1 35 35 LYS C C 13 178.419 0.06 . 1 . . . . 165 K C . 17195 1 94 . 1 1 35 35 LYS CA C 13 60.109 0.25 . 1 . . . . 165 K CA . 17195 1 95 . 1 1 35 35 LYS CB C 13 33.749 0.25 . 1 . . . . 165 K CB . 17195 1 96 . 1 1 35 35 LYS N N 15 118.549 0.06 . 1 . . . . 165 K N . 17195 1 97 . 1 1 36 36 ILE H H 1 7.969 0.01 . 1 . . . . 166 I HN . 17195 1 98 . 1 1 36 36 ILE C C 13 178.639 0.06 . 1 . . . . 166 I C . 17195 1 99 . 1 1 36 36 ILE CA C 13 64.675 0.25 . 1 . . . . 166 I CA . 17195 1 100 . 1 1 36 36 ILE CB C 13 39.379 0.25 . 1 . . . . 166 I CB . 17195 1 101 . 1 1 36 36 ILE N N 15 118.287 0.06 . 1 . . . . 166 I N . 17195 1 102 . 1 1 37 37 GLU H H 1 8.610 0.01 . 1 . . . . 167 E HN . 17195 1 103 . 1 1 37 37 GLU C C 13 179.784 0.06 . 1 . . . . 167 E C . 17195 1 104 . 1 1 37 37 GLU CA C 13 59.464 0.25 . 1 . . . . 167 E CA . 17195 1 105 . 1 1 37 37 GLU CB C 13 29.348 0.25 . 1 . . . . 167 E CB . 17195 1 106 . 1 1 37 37 GLU N N 15 119.116 0.06 . 1 . . . . 167 E N . 17195 1 107 . 1 1 38 38 ASN H H 1 8.423 0.01 . 1 . . . . 168 N HN . 17195 1 108 . 1 1 38 38 ASN C C 13 177.646 0.06 . 1 . . . . 168 N C . 17195 1 109 . 1 1 38 38 ASN CA C 13 56.053 0.25 . 1 . . . . 168 N CA . 17195 1 110 . 1 1 38 38 ASN CB C 13 38.284 0.25 . 1 . . . . 168 N CB . 17195 1 111 . 1 1 38 38 ASN N N 15 118.405 0.06 . 1 . . . . 168 N N . 17195 1 112 . 1 1 39 39 LEU H H 1 7.601 0.01 . 1 . . . . 169 L HN . 17195 1 113 . 1 1 39 39 LEU C C 13 180.514 0.06 . 1 . . . . 169 L C . 17195 1 114 . 1 1 39 39 LEU CA C 13 58.006 0.25 . 1 . . . . 169 L CA . 17195 1 115 . 1 1 39 39 LEU CB C 13 42.831 0.25 . 1 . . . . 169 L CB . 17195 1 116 . 1 1 39 39 LEU N N 15 120.108 0.06 . 1 . . . . 169 L N . 17195 1 117 . 1 1 40 40 CYS H H 1 8.881 0.01 . 1 . . . . 170 C HN . 17195 1 118 . 1 1 40 40 CYS C C 13 178.820 0.06 . 1 . . . . 170 C C . 17195 1 119 . 1 1 40 40 CYS CA C 13 63.472 0.25 . 1 . . . . 170 C CA . 17195 1 120 . 1 1 40 40 CYS CB C 13 26.932 0.25 . 1 . . . . 170 C CB . 17195 1 121 . 1 1 40 40 CYS N N 15 119.927 0.06 . 1 . . . . 170 C N . 17195 1 122 . 1 1 41 41 ALA H H 1 8.125 0.01 . 1 . . . . 171 A HN . 17195 1 123 . 1 1 41 41 ALA C C 13 178.704 0.06 . 1 . . . . 171 A C . 17195 1 124 . 1 1 41 41 ALA CA C 13 54.289 0.25 . 1 . . . . 171 A CA . 17195 1 125 . 1 1 41 41 ALA CB C 13 17.984 0.25 . 1 . . . . 171 A CB . 17195 1 126 . 1 1 41 41 ALA N N 15 122.622 0.06 . 1 . . . . 171 A N . 17195 1 127 . 1 1 42 42 MET H H 1 7.396 0.01 . 1 . . . . 172 M HN . 17195 1 128 . 1 1 42 42 MET C C 13 175.981 0.06 . 1 . . . . 172 M C . 17195 1 129 . 1 1 42 42 MET CA C 13 56.407 0.25 . 1 . . . . 172 M CA . 17195 1 130 . 1 1 42 42 MET CB C 13 34.573 0.25 . 1 . . . . 172 M CB . 17195 1 131 . 1 1 42 42 MET N N 15 115.618 0.06 . 1 . . . . 172 M N . 17195 1 132 . 1 1 43 43 GLY H H 1 7.888 0.01 . 1 . . . . 173 G HN . 17195 1 133 . 1 1 43 43 GLY C C 13 173.841 0.06 . 1 . . . . 173 G C . 17195 1 134 . 1 1 43 43 GLY CA C 13 44.788 0.25 . 1 . . . . 173 G CA . 17195 1 135 . 1 1 43 43 GLY N N 15 105.469 0.06 . 1 . . . . 173 G N . 17195 1 136 . 1 1 44 44 PHE H H 1 6.767 0.01 . 1 . . . . 174 F HN . 17195 1 137 . 1 1 44 44 PHE C C 13 174.683 0.06 . 1 . . . . 174 F C . 17195 1 138 . 1 1 44 44 PHE CA C 13 57.165 0.25 . 1 . . . . 174 F CA . 17195 1 139 . 1 1 44 44 PHE CB C 13 41.244 0.25 . 1 . . . . 174 F CB . 17195 1 140 . 1 1 44 44 PHE N N 15 118.261 0.06 . 1 . . . . 174 F N . 17195 1 141 . 1 1 45 45 ASP H H 1 8.771 0.01 . 1 . . . . 175 D HN . 17195 1 142 . 1 1 45 45 ASP C C 13 176.250 0.06 . 1 . . . . 175 D C . 17195 1 143 . 1 1 45 45 ASP CA C 13 54.402 0.25 . 1 . . . . 175 D CA . 17195 1 144 . 1 1 45 45 ASP CB C 13 43.251 0.25 . 1 . . . . 175 D CB . 17195 1 145 . 1 1 45 45 ASP N N 15 121.923 0.06 . 1 . . . . 175 D N . 17195 1 146 . 1 1 46 46 ARG H H 1 8.740 0.01 . 1 . . . . 176 R HN . 17195 1 147 . 1 1 46 46 ARG C C 13 177.172 0.06 . 1 . . . . 176 R C . 17195 1 148 . 1 1 46 46 ARG CA C 13 60.865 0.25 . 1 . . . . 176 R CA . 17195 1 149 . 1 1 46 46 ARG CB C 13 30.597 0.25 . 1 . . . . 176 R CB . 17195 1 150 . 1 1 46 46 ARG N N 15 125.430 0.06 . 1 . . . . 176 R N . 17195 1 151 . 1 1 47 47 ASN H H 1 8.300 0.01 . 1 . . . . 177 N HN . 17195 1 152 . 1 1 47 47 ASN C C 13 177.317 0.06 . 1 . . . . 177 N C . 17195 1 153 . 1 1 47 47 ASN CA C 13 56.817 0.25 . 1 . . . . 177 N CA . 17195 1 154 . 1 1 47 47 ASN CB C 13 38.016 0.25 . 1 . . . . 177 N CB . 17195 1 155 . 1 1 47 47 ASN N N 15 115.599 0.06 . 1 . . . . 177 N N . 17195 1 156 . 1 1 48 48 ALA H H 1 7.801 0.01 . 1 . . . . 178 A HN . 17195 1 157 . 1 1 48 48 ALA C C 13 180.602 0.06 . 1 . . . . 178 A C . 17195 1 158 . 1 1 48 48 ALA CA C 13 54.814 0.25 . 1 . . . . 178 A CA . 17195 1 159 . 1 1 48 48 ALA CB C 13 18.164 0.25 . 1 . . . . 178 A CB . 17195 1 160 . 1 1 48 48 ALA N N 15 122.766 0.06 . 1 . . . . 178 A N . 17195 1 161 . 1 1 49 49 VAL H H 1 8.492 0.01 . 1 . . . . 179 V HN . 17195 1 162 . 1 1 49 49 VAL C C 13 176.946 0.06 . 1 . . . . 179 V C . 17195 1 163 . 1 1 49 49 VAL CA C 13 66.827 0.25 . 1 . . . . 179 V CA . 17195 1 164 . 1 1 49 49 VAL CB C 13 31.904 0.25 . 1 . . . . 179 V CB . 17195 1 165 . 1 1 49 49 VAL N N 15 120.187 0.06 . 1 . . . . 179 V N . 17195 1 166 . 1 1 50 50 ILE H H 1 8.131 0.01 . 1 . . . . 180 I HN . 17195 1 167 . 1 1 50 50 ILE C C 13 178.862 0.06 . 1 . . . . 180 I C . 17195 1 168 . 1 1 50 50 ILE CA C 13 66.462 0.25 . 1 . . . . 180 I CA . 17195 1 169 . 1 1 50 50 ILE CB C 13 38.236 0.25 . 1 . . . . 180 I CB . 17195 1 170 . 1 1 50 50 ILE N N 15 120.102 0.06 . 1 . . . . 180 I N . 17195 1 171 . 1 1 51 51 VAL H H 1 7.880 0.01 . 1 . . . . 181 V HN . 17195 1 172 . 1 1 51 51 VAL C C 13 178.309 0.06 . 1 . . . . 181 V C . 17195 1 173 . 1 1 51 51 VAL CA C 13 66.566 0.25 . 1 . . . . 181 V CA . 17195 1 174 . 1 1 51 51 VAL CB C 13 31.924 0.25 . 1 . . . . 181 V CB . 17195 1 175 . 1 1 51 51 VAL N N 15 121.503 0.06 . 1 . . . . 181 V N . 17195 1 176 . 1 1 52 52 ALA H H 1 8.180 0.01 . 1 . . . . 182 A HN . 17195 1 177 . 1 1 52 52 ALA C C 13 179.083 0.06 . 1 . . . . 182 A C . 17195 1 178 . 1 1 52 52 ALA CA C 13 55.367 0.25 . 1 . . . . 182 A CA . 17195 1 179 . 1 1 52 52 ALA CB C 13 18.667 0.25 . 1 . . . . 182 A CB . 17195 1 180 . 1 1 52 52 ALA N N 15 123.530 0.06 . 1 . . . . 182 A N . 17195 1 181 . 1 1 53 53 LEU H H 1 8.385 0.01 . 1 . . . . 183 L HN . 17195 1 182 . 1 1 53 53 LEU C C 13 179.191 0.06 . 1 . . . . 183 L C . 17195 1 183 . 1 1 53 53 LEU CA C 13 57.660 0.25 . 1 . . . . 183 L CA . 17195 1 184 . 1 1 53 53 LEU CB C 13 41.503 0.25 . 1 . . . . 183 L CB . 17195 1 185 . 1 1 53 53 LEU N N 15 116.094 0.06 . 1 . . . . 183 L N . 17195 1 186 . 1 1 54 54 SER H H 1 7.884 0.01 . 1 . . . . 184 S HN . 17195 1 187 . 1 1 54 54 SER C C 13 177.219 0.06 . 1 . . . . 184 S C . 17195 1 188 . 1 1 54 54 SER CA C 13 61.268 0.25 . 1 . . . . 184 S CA . 17195 1 189 . 1 1 54 54 SER CB C 13 62.792 0.25 . 1 . . . . 184 S CB . 17195 1 190 . 1 1 54 54 SER N N 15 113.783 0.06 . 1 . . . . 184 S N . 17195 1 191 . 1 1 55 55 SER H H 1 7.881 0.01 . 1 . . . . 185 S HN . 17195 1 192 . 1 1 55 55 SER CA C 13 60.612 0.25 . 1 . . . . 185 S CA . 17195 1 193 . 1 1 55 55 SER CB C 13 63.433 0.25 . 1 . . . . 185 S CB . 17195 1 194 . 1 1 55 55 SER N N 15 116.788 0.06 . 1 . . . . 185 S N . 17195 1 195 . 1 1 56 56 LYS C C 13 176.592 0.06 . 1 . . . . 186 K C . 17195 1 196 . 1 1 56 56 LYS CA C 13 53.027 0.25 . 1 . . . . 186 K CA . 17195 1 197 . 1 1 56 56 LYS CB C 13 30.600 0.25 . 1 . . . . 186 K CB . 17195 1 198 . 1 1 57 57 SER H H 1 7.940 0.01 . 1 . . . . 187 S HN . 17195 1 199 . 1 1 57 57 SER CA C 13 59.508 0.25 . 1 . . . . 187 S CA . 17195 1 200 . 1 1 57 57 SER CB C 13 61.551 0.25 . 1 . . . . 187 S CB . 17195 1 201 . 1 1 57 57 SER N N 15 113.400 0.06 . 1 . . . . 187 S N . 17195 1 202 . 1 1 58 58 TRP C C 13 176.405 0.06 . 1 . . . . 188 W C . 17195 1 203 . 1 1 58 58 TRP CA C 13 56.955 0.25 . 1 . . . . 188 W CA . 17195 1 204 . 1 1 58 58 TRP CB C 13 30.235 0.25 . 1 . . . . 188 W CB . 17195 1 205 . 1 1 59 59 ASP H H 1 8.154 0.01 . 1 . . . . 189 D HN . 17195 1 206 . 1 1 59 59 ASP C C 13 176.142 0.06 . 1 . . . . 189 D C . 17195 1 207 . 1 1 59 59 ASP CA C 13 55.199 0.25 . 1 . . . . 189 D CA . 17195 1 208 . 1 1 59 59 ASP CB C 13 42.401 0.25 . 1 . . . . 189 D CB . 17195 1 209 . 1 1 59 59 ASP N N 15 122.905 0.06 . 1 . . . . 189 D N . 17195 1 210 . 1 1 60 60 VAL H H 1 7.782 0.01 . 1 . . . . 190 V HN . 17195 1 211 . 1 1 60 60 VAL C C 13 178.572 0.06 . 1 . . . . 190 V C . 17195 1 212 . 1 1 60 60 VAL CA C 13 59.088 0.25 . 1 . . . . 190 V CA . 17195 1 213 . 1 1 60 60 VAL CB C 13 34.471 0.25 . 1 . . . . 190 V CB . 17195 1 214 . 1 1 60 60 VAL N N 15 118.881 0.06 . 1 . . . . 190 V N . 17195 1 215 . 1 1 61 61 GLU H H 1 8.805 0.01 . 1 . . . . 191 E HN . 17195 1 216 . 1 1 61 61 GLU C C 13 179.366 0.06 . 1 . . . . 191 E C . 17195 1 217 . 1 1 61 61 GLU CA C 13 60.319 0.25 . 1 . . . . 191 E CA . 17195 1 218 . 1 1 61 61 GLU CB C 13 29.476 0.25 . 1 . . . . 191 E CB . 17195 1 219 . 1 1 61 61 GLU N N 15 122.965 0.06 . 1 . . . . 191 E N . 17195 1 220 . 1 1 62 62 THR H H 1 8.138 0.01 . 1 . . . . 192 T HN . 17195 1 221 . 1 1 62 62 THR C C 13 177.637 0.06 . 1 . . . . 192 T C . 17195 1 222 . 1 1 62 62 THR CA C 13 65.012 0.25 . 1 . . . . 192 T CA . 17195 1 223 . 1 1 62 62 THR CB C 13 68.731 0.25 . 1 . . . . 192 T CB . 17195 1 224 . 1 1 62 62 THR N N 15 113.002 0.06 . 1 . . . . 192 T N . 17195 1 225 . 1 1 63 63 ALA C C 13 178.594 0.06 . 1 . . . . 193 A C . 17195 1 226 . 1 1 63 63 ALA CA C 13 55.422 0.25 . 1 . . . . 193 A CA . 17195 1 227 . 1 1 63 63 ALA CB C 13 18.486 0.25 . 1 . . . . 193 A CB . 17195 1 228 . 1 1 64 64 THR H H 1 8.143 0.01 . 1 . . . . 194 T HN . 17195 1 229 . 1 1 64 64 THR N N 15 114.155 0.06 . 1 . . . . 194 T N . 17195 1 230 . 1 1 65 65 GLU C C 13 178.857 0.06 . 1 . . . . 195 E C . 17195 1 231 . 1 1 65 65 GLU CA C 13 59.320 0.25 . 1 . . . . 195 E CA . 17195 1 232 . 1 1 66 66 LEU H H 1 7.414 0.01 . 1 . . . . 196 L HN . 17195 1 233 . 1 1 66 66 LEU C C 13 179.565 0.06 . 1 . . . . 196 L C . 17195 1 234 . 1 1 66 66 LEU CA C 13 57.749 0.25 . 1 . . . . 196 L CA . 17195 1 235 . 1 1 66 66 LEU CB C 13 42.261 0.25 . 1 . . . . 196 L CB . 17195 1 236 . 1 1 66 66 LEU N N 15 119.818 0.06 . 1 . . . . 196 L N . 17195 1 237 . 1 1 67 67 LEU H H 1 7.851 0.01 . 1 . . . . 197 L HN . 17195 1 238 . 1 1 67 67 LEU C C 13 178.538 0.06 . 1 . . . . 197 L C . 17195 1 239 . 1 1 67 67 LEU CA C 13 57.200 0.25 . 1 . . . . 197 L CA . 17195 1 240 . 1 1 67 67 LEU CB C 13 40.990 0.25 . 1 . . . . 197 L CB . 17195 1 241 . 1 1 67 67 LEU N N 15 121.228 0.06 . 1 . . . . 197 L N . 17195 1 242 . 1 1 68 68 LEU H H 1 7.821 0.01 . 1 . . . . 198 L HN . 17195 1 243 . 1 1 68 68 LEU C C 13 177.697 0.06 . 1 . . . . 198 L C . 17195 1 244 . 1 1 68 68 LEU CA C 13 55.857 0.25 . 1 . . . . 198 L CA . 17195 1 245 . 1 1 68 68 LEU CB C 13 42.725 0.25 . 1 . . . . 198 L CB . 17195 1 246 . 1 1 68 68 LEU N N 15 117.956 0.06 . 1 . . . . 198 L N . 17195 1 247 . 1 1 69 69 SER H H 1 7.668 0.01 . 1 . . . . 199 S HN . 17195 1 248 . 1 1 69 69 SER C C 13 173.459 0.06 . 1 . . . . 199 S C . 17195 1 249 . 1 1 69 69 SER CA C 13 59.093 0.25 . 1 . . . . 199 S CA . 17195 1 250 . 1 1 69 69 SER CB C 13 64.093 0.25 . 1 . . . . 199 S CB . 17195 1 251 . 1 1 69 69 SER N N 15 114.915 0.06 . 1 . . . . 199 S N . 17195 1 252 . 1 1 70 70 ASN H H 1 7.772 0.01 . 1 . . . . 200 N HN . 17195 1 253 . 1 1 70 70 ASN CA C 13 55.064 0.25 . 1 . . . . 200 N CA . 17195 1 254 . 1 1 70 70 ASN CB C 13 40.744 0.25 . 1 . . . . 200 N CB . 17195 1 255 . 1 1 70 70 ASN N N 15 125.807 0.06 . 1 . . . . 200 N N . 17195 1 stop_ save_