################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EIN2-C _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 $chem_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 '3D HNCACB' . . . 53481 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 $software_1 . . 53481 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 THR H H 1 8.239 . . . . . . . . 3 T H . 53481 1 2 . 1 . 1 3 3 THR CA C 13 61.862 . . . . . . . . 3 T CA . 53481 1 3 . 1 . 1 3 3 THR CB C 13 69.857 . . . . . . . . 3 T CB . 53481 1 4 . 1 . 1 3 3 THR N N 15 117.400 . . . . . . . . 3 T N . 53481 1 5 . 1 . 1 4 4 ALA H H 1 8.342 . . . . . . . . 4 A H . 53481 1 6 . 1 . 1 4 4 ALA CA C 13 52.509 . . . . . . . . 4 A CA . 53481 1 7 . 1 . 1 4 4 ALA CB C 13 19.288 . . . . . . . . 4 A CB . 53481 1 8 . 1 . 1 4 4 ALA N N 15 127.511 . . . . . . . . 4 A N . 53481 1 9 . 1 . 1 5 5 VAL H H 1 8.160 . . . . . . . . 5 V H . 53481 1 10 . 1 . 1 5 5 VAL CA C 13 62.315 . . . . . . . . 5 V CA . 53481 1 11 . 1 . 1 5 5 VAL CB C 13 32.741 . . . . . . . . 5 V CB . 53481 1 12 . 1 . 1 5 5 VAL N N 15 120.169 . . . . . . . . 5 V N . 53481 1 13 . 1 . 1 6 6 THR H H 1 8.189 . . . . . . . . 6 T H . 53481 1 14 . 1 . 1 6 6 THR CA C 13 61.582 . . . . . . . . 6 T CA . 53481 1 15 . 1 . 1 6 6 THR CB C 13 69.998 . . . . . . . . 6 T CB . 53481 1 16 . 1 . 1 6 6 THR N N 15 117.909 . . . . . . . . 6 T N . 53481 1 17 . 1 . 1 7 7 LEU H H 1 8.274 . . . . . . . . 7 L H . 53481 1 18 . 1 . 1 7 7 LEU CA C 13 56.878 . . . . . . . . 7 L CA . 53481 1 19 . 1 . 1 7 7 LEU CB C 13 43.364 . . . . . . . . 7 L CB . 53481 1 20 . 1 . 1 7 7 LEU N N 15 124.707 . . . . . . . . 7 L N . 53481 1 21 . 1 . 1 8 8 LEU H H 1 8.091 . . . . . . . . 8 L H . 53481 1 22 . 1 . 1 8 8 LEU CA C 13 55.447 . . . . . . . . 8 L CA . 53481 1 23 . 1 . 1 8 8 LEU CB C 13 42.142 . . . . . . . . 8 L CB . 53481 1 24 . 1 . 1 8 8 LEU N N 15 122.329 . . . . . . . . 8 L N . 53481 1 25 . 1 . 1 9 9 ASP H H 1 8.134 . . . . . . . . 9 D H . 53481 1 26 . 1 . 1 9 9 ASP CA C 13 54.569 . . . . . . . . 9 D CA . 53481 1 27 . 1 . 1 9 9 ASP CB C 13 41.006 . . . . . . . . 9 D CB . 53481 1 28 . 1 . 1 9 9 ASP N N 15 120.480 . . . . . . . . 9 D N . 53481 1 29 . 1 . 1 10 10 LEU H H 1 7.942 . . . . . . . . 10 L H . 53481 1 30 . 1 . 1 10 10 LEU CA C 13 55.150 . . . . . . . . 10 L CA . 53481 1 31 . 1 . 1 10 10 LEU CB C 13 42.317 . . . . . . . . 10 L CB . 53481 1 32 . 1 . 1 10 10 LEU N N 15 121.735 . . . . . . . . 10 L N . 53481 1 33 . 1 . 1 11 11 ILE H H 1 7.825 . . . . . . . . 11 I H . 53481 1 34 . 1 . 1 11 11 ILE CA C 13 53.846 . . . . . . . . 11 I CA . 53481 1 35 . 1 . 1 11 11 ILE N N 15 130.271 . . . . . . . . 11 I N . 53481 1 36 . 1 . 1 12 12 LYS H H 1 8.421 . . . . . . . . 12 K H . 53481 1 37 . 1 . 1 12 12 LYS CA C 13 56.209 . . . . . . . . 12 K CA . 53481 1 38 . 1 . 1 12 12 LYS CB C 13 33.255 . . . . . . . . 12 K CB . 53481 1 39 . 1 . 1 12 12 LYS N N 15 121.850 . . . . . . . . 12 K N . 53481 1 40 . 1 . 1 13 13 ASP H H 1 8.323 . . . . . . . . 13 D H . 53481 1 41 . 1 . 1 13 13 ASP CA C 13 54.623 . . . . . . . . 13 D CA . 53481 1 42 . 1 . 1 13 13 ASP CB C 13 41.097 . . . . . . . . 13 D CB . 53481 1 43 . 1 . 1 13 13 ASP N N 15 122.058 . . . . . . . . 13 D N . 53481 1 44 . 1 . 1 14 14 VAL H H 1 8.007 . . . . . . . . 14 V H . 53481 1 45 . 1 . 1 14 14 VAL CA C 13 62.161 . . . . . . . . 14 V CA . 53481 1 46 . 1 . 1 14 14 VAL CB C 13 32.770 . . . . . . . . 14 V CB . 53481 1 47 . 1 . 1 14 14 VAL N N 15 119.497 . . . . . . . . 14 V N . 53481 1 48 . 1 . 1 15 15 GLU H H 1 8.315 . . . . . . . . 15 E H . 53481 1 49 . 1 . 1 15 15 GLU CA C 13 52.250 . . . . . . . . 15 E CA . 53481 1 50 . 1 . 1 15 15 GLU N N 15 126.513 . . . . . . . . 15 E N . 53481 1 51 . 1 . 1 16 16 MET H H 1 8.207 . . . . . . . . 16 M H . 53481 1 52 . 1 . 1 16 16 MET CA C 13 55.610 . . . . . . . . 16 M CA . 53481 1 53 . 1 . 1 16 16 MET CB C 13 33.088 . . . . . . . . 16 M CB . 53481 1 54 . 1 . 1 16 16 MET N N 15 121.130 . . . . . . . . 16 M N . 53481 1 55 . 1 . 1 17 17 ALA H H 1 8.069 . . . . . . . . 17 A H . 53481 1 56 . 1 . 1 17 17 ALA CB C 13 40.378 . . . . . . . . 17 A CB . 53481 1 57 . 1 . 1 17 17 ALA N N 15 125.410 . . . . . . . . 17 A N . 53481 1 58 . 1 . 1 18 18 ILE H H 1 7.991 . . . . . . . . 18 I H . 53481 1 59 . 1 . 1 18 18 ILE CA C 13 62.380 . . . . . . . . 18 I CA . 53481 1 60 . 1 . 1 18 18 ILE CB C 13 32.864 . . . . . . . . 18 I CB . 53481 1 61 . 1 . 1 18 18 ILE N N 15 120.304 . . . . . . . . 18 I N . 53481 1 62 . 1 . 1 19 19 SER H H 1 7.924 . . . . . . . . 19 S H . 53481 1 63 . 1 . 1 19 19 SER CA C 13 61.883 . . . . . . . . 19 S CA . 53481 1 64 . 1 . 1 19 19 SER CB C 13 69.876 . . . . . . . . 19 S CB . 53481 1 65 . 1 . 1 19 19 SER N N 15 125.468 . . . . . . . . 19 S N . 53481 1 66 . 1 . 1 20 20 CYS H H 1 8.229 . . . . . . . . 20 C H . 53481 1 67 . 1 . 1 20 20 CYS CA C 13 52.499 . . . . . . . . 20 C CA . 53481 1 68 . 1 . 1 20 20 CYS N N 15 126.388 . . . . . . . . 20 C N . 53481 1 69 . 1 . 1 21 21 ARG H H 1 8.272 . . . . . . . . 21 R H . 53481 1 70 . 1 . 1 21 21 ARG CA C 13 56.251 . . . . . . . . 21 R CA . 53481 1 71 . 1 . 1 21 21 ARG CB C 13 32.991 . . . . . . . . 21 R CB . 53481 1 72 . 1 . 1 21 21 ARG N N 15 123.436 . . . . . . . . 21 R N . 53481 1 73 . 1 . 1 22 22 LYS H H 1 8.278 . . . . . . . . 22 K H . 53481 1 74 . 1 . 1 22 22 LYS CA C 13 56.263 . . . . . . . . 22 K CA . 53481 1 75 . 1 . 1 22 22 LYS CB C 13 30.850 . . . . . . . . 22 K CB . 53481 1 76 . 1 . 1 22 22 LYS N N 15 122.291 . . . . . . . . 22 K N . 53481 1 77 . 1 . 1 23 23 GLY H H 1 8.498 . . . . . . . . 23 G H . 53481 1 78 . 1 . 1 23 23 GLY CA C 13 45.133 . . . . . . . . 23 G CA . 53481 1 79 . 1 . 1 23 23 GLY N N 15 112.933 . . . . . . . . 23 G N . 53481 1 80 . 1 . 1 24 24 ARG H H 1 8.288 . . . . . . . . 24 R H . 53481 1 81 . 1 . 1 24 24 ARG CA C 13 56.133 . . . . . . . . 24 R CA . 53481 1 82 . 1 . 1 24 24 ARG CB C 13 30.847 . . . . . . . . 24 R CB . 53481 1 83 . 1 . 1 24 24 ARG N N 15 120.876 . . . . . . . . 24 R N . 53481 1 84 . 1 . 1 25 25 THR H H 1 8.295 . . . . . . . . 25 T H . 53481 1 85 . 1 . 1 25 25 THR CA C 13 61.912 . . . . . . . . 25 T CA . 53481 1 86 . 1 . 1 25 25 THR CB C 13 69.955 . . . . . . . . 25 T CB . 53481 1 87 . 1 . 1 25 25 THR N N 15 115.453 . . . . . . . . 25 T N . 53481 1 88 . 1 . 1 26 26 GLY H H 1 8.478 . . . . . . . . 26 G H . 53481 1 89 . 1 . 1 26 26 GLY CA C 13 45.352 . . . . . . . . 26 G CA . 53481 1 90 . 1 . 1 26 26 GLY N N 15 111.527 . . . . . . . . 26 G N . 53481 1 91 . 1 . 1 27 27 THR H H 1 8.083 . . . . . . . . 27 T H . 53481 1 92 . 1 . 1 27 27 THR CA C 13 61.827 . . . . . . . . 27 T CA . 53481 1 93 . 1 . 1 27 27 THR CB C 13 69.958 . . . . . . . . 27 T CB . 53481 1 94 . 1 . 1 27 27 THR N N 15 113.814 . . . . . . . . 27 T N . 53481 1 95 . 1 . 1 28 28 ALA H H 1 8.193 . . . . . . . . 28 A H . 53481 1 96 . 1 . 1 28 28 ALA CA C 13 52.378 . . . . . . . . 28 A CA . 53481 1 97 . 1 . 1 28 28 ALA CB C 13 19.312 . . . . . . . . 28 A CB . 53481 1 98 . 1 . 1 28 28 ALA N N 15 126.882 . . . . . . . . 28 A N . 53481 1 99 . 1 . 1 29 29 ALA H H 1 7.902 . . . . . . . . 29 A H . 53481 1 100 . 1 . 1 29 29 ALA CA C 13 52.932 . . . . . . . . 29 A CA . 53481 1 101 . 1 . 1 29 29 ALA CB C 13 19.107 . . . . . . . . 29 A CB . 53481 1 102 . 1 . 1 29 29 ALA N N 15 129.505 . . . . . . . . 29 A N . 53481 1 103 . 1 . 1 30 30 GLY H H 1 8.256 . . . . . . . . 30 G H . 53481 1 104 . 1 . 1 30 30 GLY CA C 13 45.257 . . . . . . . . 30 G CA . 53481 1 105 . 1 . 1 30 30 GLY N N 15 107.755 . . . . . . . . 30 G N . 53481 1 106 . 1 . 1 31 31 ASP H H 1 8.011 . . . . . . . . 31 D H . 53481 1 107 . 1 . 1 31 31 ASP CA C 13 54.502 . . . . . . . . 31 D CA . 53481 1 108 . 1 . 1 31 31 ASP CB C 13 41.505 . . . . . . . . 31 D CB . 53481 1 109 . 1 . 1 31 31 ASP N N 15 120.724 . . . . . . . . 31 D N . 53481 1 110 . 1 . 1 32 32 VAL H H 1 8.122 . . . . . . . . 32 V H . 53481 1 111 . 1 . 1 32 32 VAL CA C 13 62.169 . . . . . . . . 32 V CA . 53481 1 112 . 1 . 1 32 32 VAL CB C 13 32.719 . . . . . . . . 32 V CB . 53481 1 113 . 1 . 1 32 32 VAL N N 15 120.396 . . . . . . . . 32 V N . 53481 1 114 . 1 . 1 33 33 ALA H H 1 8.200 . . . . . . . . 33 A H . 53481 1 115 . 1 . 1 33 33 ALA CA C 13 52.324 . . . . . . . . 33 A CA . 53481 1 116 . 1 . 1 33 33 ALA CB C 13 19.422 . . . . . . . . 33 A CB . 53481 1 117 . 1 . 1 33 33 ALA N N 15 127.057 . . . . . . . . 33 A N . 53481 1 118 . 1 . 1 34 34 PHE H H 1 7.588 . . . . . . . . 34 F H . 53481 1 119 . 1 . 1 34 34 PHE CA C 13 59.073 . . . . . . . . 34 F CA . 53481 1 120 . 1 . 1 34 34 PHE CB C 13 39.418 . . . . . . . . 34 F CB . 53481 1 121 . 1 . 1 34 34 PHE N N 15 124.397 . . . . . . . . 34 F N . 53481 1 122 . 1 . 1 35 35 PRO CA C 13 62.777 . . . . . . . . 35 P CA . 53481 1 123 . 1 . 1 35 35 PRO CB C 13 34.010 . . . . . . . . 35 P CB . 53481 1 124 . 1 . 1 36 36 LYS H H 1 8.503 . . . . . . . . 36 K H . 53481 1 125 . 1 . 1 36 36 LYS CA C 13 56.643 . . . . . . . . 36 K CA . 53481 1 126 . 1 . 1 36 36 LYS CB C 13 32.975 . . . . . . . . 36 K CB . 53481 1 127 . 1 . 1 36 36 LYS N N 15 122.215 . . . . . . . . 36 K N . 53481 1 128 . 1 . 1 37 37 GLY H H 1 8.451 . . . . . . . . 37 G H . 53481 1 129 . 1 . 1 37 37 GLY CA C 13 45.181 . . . . . . . . 37 G CA . 53481 1 130 . 1 . 1 37 37 GLY N N 15 110.620 . . . . . . . . 37 G N . 53481 1 131 . 1 . 1 38 38 LYS H H 1 8.241 . . . . . . . . 38 K H . 53481 1 132 . 1 . 1 38 38 LYS CA C 13 56.281 . . . . . . . . 38 K CA . 53481 1 133 . 1 . 1 38 38 LYS CB C 13 32.922 . . . . . . . . 38 K CB . 53481 1 134 . 1 . 1 38 38 LYS N N 15 121.101 . . . . . . . . 38 K N . 53481 1 135 . 1 . 1 39 39 GLU H H 1 8.606 . . . . . . . . 39 E H . 53481 1 136 . 1 . 1 39 39 GLU CA C 13 56.852 . . . . . . . . 39 E CA . 53481 1 137 . 1 . 1 39 39 GLU CB C 13 30.035 . . . . . . . . 39 E CB . 53481 1 138 . 1 . 1 39 39 GLU N N 15 121.743 . . . . . . . . 39 E N . 53481 1 139 . 1 . 1 40 40 ASN H H 1 8.431 . . . . . . . . 40 N H . 53481 1 140 . 1 . 1 40 40 ASN CA C 13 53.311 . . . . . . . . 40 N CA . 53481 1 141 . 1 . 1 40 40 ASN CB C 13 38.802 . . . . . . . . 40 N CB . 53481 1 142 . 1 . 1 40 40 ASN N N 15 119.608 . . . . . . . . 40 N N . 53481 1 143 . 1 . 1 41 41 LEU H H 1 8.153 . . . . . . . . 41 L H . 53481 1 144 . 1 . 1 41 41 LEU CA C 13 55.184 . . . . . . . . 41 L CA . 53481 1 145 . 1 . 1 41 41 LEU CB C 13 42.273 . . . . . . . . 41 L CB . 53481 1 146 . 1 . 1 41 41 LEU N N 15 123.163 . . . . . . . . 41 L N . 53481 1 147 . 1 . 1 42 42 ALA H H 1 8.206 . . . . . . . . 42 A H . 53481 1 148 . 1 . 1 42 42 ALA CA C 13 52.427 . . . . . . . . 42 A CA . 53481 1 149 . 1 . 1 42 42 ALA CB C 13 19.310 . . . . . . . . 42 A CB . 53481 1 150 . 1 . 1 42 42 ALA N N 15 124.569 . . . . . . . . 42 A N . 53481 1 151 . 1 . 1 43 43 SER H H 1 8.206 . . . . . . . . 43 S H . 53481 1 152 . 1 . 1 43 43 SER CA C 13 58.308 . . . . . . . . 43 S CA . 53481 1 153 . 1 . 1 43 43 SER CB C 13 63.969 . . . . . . . . 43 S CB . 53481 1 154 . 1 . 1 43 43 SER N N 15 115.916 . . . . . . . . 43 S N . 53481 1 155 . 1 . 1 44 44 VAL H H 1 7.698 . . . . . . . . 44 V H . 53481 1 156 . 1 . 1 44 44 VAL CA C 13 63.527 . . . . . . . . 44 V CA . 53481 1 157 . 1 . 1 44 44 VAL CB C 13 33.190 . . . . . . . . 44 V CB . 53481 1 158 . 1 . 1 44 44 VAL N N 15 125.559 . . . . . . . . 44 V N . 53481 1 159 . 1 . 1 45 45 LEU H H 1 8.302 . . . . . . . . 45 L H . 53481 1 160 . 1 . 1 45 45 LEU CA C 13 54.453 . . . . . . . . 45 L CA . 53481 1 161 . 1 . 1 45 45 LEU CB C 13 41.248 . . . . . . . . 45 L CB . 53481 1 162 . 1 . 1 45 45 LEU N N 15 126.172 . . . . . . . . 45 L N . 53481 1 163 . 1 . 1 46 46 LYS H H 1 8.271 . . . . . . . . 46 K H . 53481 1 164 . 1 . 1 46 46 LYS CA C 13 62.407 . . . . . . . . 46 K CA . 53481 1 165 . 1 . 1 46 46 LYS CB C 13 32.684 . . . . . . . . 46 K CB . 53481 1 166 . 1 . 1 46 46 LYS N N 15 123.383 . . . . . . . . 46 K N . 53481 1 167 . 1 . 1 47 47 ARG H H 1 8.401 . . . . . . . . 47 R H . 53481 1 168 . 1 . 1 47 47 ARG CA C 13 56.586 . . . . . . . . 47 R CA . 53481 1 169 . 1 . 1 47 47 ARG CB C 13 30.252 . . . . . . . . 47 R CB . 53481 1 170 . 1 . 1 47 47 ARG N N 15 124.507 . . . . . . . . 47 R N . 53481 1 171 . 1 . 1 48 48 TYR H H 1 8.441 . . . . . . . . 48 Y H . 53481 1 172 . 1 . 1 48 48 TYR CA C 13 53.167 . . . . . . . . 48 Y CA . 53481 1 173 . 1 . 1 48 48 TYR CB C 13 38.696 . . . . . . . . 48 Y CB . 53481 1 174 . 1 . 1 48 48 TYR N N 15 119.838 . . . . . . . . 48 Y N . 53481 1 175 . 1 . 1 49 49 LYS H H 1 8.110 . . . . . . . . 49 K H . 53481 1 176 . 1 . 1 49 49 LYS CB C 13 32.832 . . . . . . . . 49 K CB . 53481 1 177 . 1 . 1 49 49 LYS N N 15 120.399 . . . . . . . . 49 K N . 53481 1 178 . 1 . 1 50 50 ARG H H 1 8.194 . . . . . . . . 50 R H . 53481 1 179 . 1 . 1 50 50 ARG N N 15 122.583 . . . . . . . . 50 R N . 53481 1 180 . 1 . 1 51 51 ARG H H 1 8.451 . . . . . . . . 51 R H . 53481 1 181 . 1 . 1 51 51 ARG CA C 13 62.462 . . . . . . . . 51 R CA . 53481 1 182 . 1 . 1 51 51 ARG CB C 13 32.864 . . . . . . . . 51 R CB . 53481 1 183 . 1 . 1 51 51 ARG N N 15 123.493 . . . . . . . . 51 R N . 53481 1 184 . 1 . 1 52 52 LEU H H 1 8.292 . . . . . . . . 52 L H . 53481 1 185 . 1 . 1 52 52 LEU CA C 13 55.241 . . . . . . . . 52 L CA . 53481 1 186 . 1 . 1 52 52 LEU CB C 13 42.369 . . . . . . . . 52 L CB . 53481 1 187 . 1 . 1 52 52 LEU N N 15 125.534 . . . . . . . . 52 L N . 53481 1 188 . 1 . 1 53 53 SER H H 1 7.829 . . . . . . . . 53 S H . 53481 1 189 . 1 . 1 53 53 SER CA C 13 57.648 . . . . . . . . 53 S CA . 53481 1 190 . 1 . 1 53 53 SER N N 15 127.713 . . . . . . . . 53 S N . 53481 1 191 . 1 . 1 55 55 LYS H H 1 8.206 . . . . . . . . 55 K H . 53481 1 192 . 1 . 1 55 55 LYS N N 15 120.528 . . . . . . . . 55 K N . 53481 1 193 . 1 . 1 57 57 VAL H H 1 8.421 . . . . . . . . 57 V H . 53481 1 194 . 1 . 1 57 57 VAL CA C 13 62.544 . . . . . . . . 57 V CA . 53481 1 195 . 1 . 1 57 57 VAL CB C 13 32.816 . . . . . . . . 57 V CB . 53481 1 196 . 1 . 1 57 57 VAL N N 15 121.817 . . . . . . . . 57 V N . 53481 1 197 . 1 . 1 58 58 GLY H H 1 8.451 . . . . . . . . 58 G H . 53481 1 198 . 1 . 1 58 58 GLY CA C 13 45.217 . . . . . . . . 58 G CA . 53481 1 199 . 1 . 1 58 58 GLY N N 15 112.345 . . . . . . . . 58 G N . 53481 1 200 . 1 . 1 59 59 MET H H 1 8.229 . . . . . . . . 59 M H . 53481 1 201 . 1 . 1 59 59 MET CA C 13 55.534 . . . . . . . . 59 M CA . 53481 1 202 . 1 . 1 59 59 MET CB C 13 32.956 . . . . . . . . 59 M CB . 53481 1 203 . 1 . 1 59 59 MET N N 15 119.925 . . . . . . . . 59 M N . 53481 1 204 . 1 . 1 60 60 ASN H H 1 8.552 . . . . . . . . 60 N H . 53481 1 205 . 1 . 1 60 60 ASN CA C 13 53.502 . . . . . . . . 60 N CA . 53481 1 206 . 1 . 1 60 60 ASN CB C 13 38.711 . . . . . . . . 60 N CB . 53481 1 207 . 1 . 1 60 60 ASN N N 15 120.096 . . . . . . . . 60 N N . 53481 1 208 . 1 . 1 61 61 GLN H H 1 8.432 . . . . . . . . 61 Q H . 53481 1 209 . 1 . 1 61 61 GLN CA C 13 56.021 . . . . . . . . 61 Q CA . 53481 1 210 . 1 . 1 61 61 GLN CB C 13 29.428 . . . . . . . . 61 Q CB . 53481 1 211 . 1 . 1 61 61 GLN N N 15 120.920 . . . . . . . . 61 Q N . 53481 1 212 . 1 . 1 62 62 ASP H H 1 8.351 . . . . . . . . 62 D H . 53481 1 213 . 1 . 1 62 62 ASP CA C 13 54.370 . . . . . . . . 62 D CA . 53481 1 214 . 1 . 1 62 62 ASP CB C 13 41.448 . . . . . . . . 62 D CB . 53481 1 215 . 1 . 1 62 62 ASP N N 15 121.330 . . . . . . . . 62 D N . 53481 1 216 . 1 . 1 63 63 GLY H H 1 8.169 . . . . . . . . 63 G H . 53481 1 217 . 1 . 1 63 63 GLY CA C 13 44.856 . . . . . . . . 63 G CA . 53481 1 218 . 1 . 1 63 63 GLY N N 15 109.042 . . . . . . . . 63 G N . 53481 1 219 . 1 . 1 64 64 PRO CA C 13 63.840 . . . . . . . . 64 P CA . 53481 1 220 . 1 . 1 64 64 PRO CB C 13 31.938 . . . . . . . . 64 P CB . 53481 1 221 . 1 . 1 65 65 GLY H H 1 8.582 . . . . . . . . 65 G H . 53481 1 222 . 1 . 1 65 65 GLY CA C 13 45.407 . . . . . . . . 65 G CA . 53481 1 223 . 1 . 1 65 65 GLY N N 15 109.571 . . . . . . . . 65 G N . 53481 1 224 . 1 . 1 66 66 SER H H 1 8.066 . . . . . . . . 66 S H . 53481 1 225 . 1 . 1 66 66 SER CA C 13 58.650 . . . . . . . . 66 S CA . 53481 1 226 . 1 . 1 66 66 SER CB C 13 63.990 . . . . . . . . 66 S CB . 53481 1 227 . 1 . 1 66 66 SER N N 15 115.729 . . . . . . . . 66 S N . 53481 1 228 . 1 . 1 67 67 ARG H H 1 8.282 . . . . . . . . 67 R H . 53481 1 229 . 1 . 1 67 67 ARG CA C 13 56.292 . . . . . . . . 67 R CA . 53481 1 230 . 1 . 1 67 67 ARG CB C 13 30.562 . . . . . . . . 67 R CB . 53481 1 231 . 1 . 1 67 67 ARG N N 15 122.884 . . . . . . . . 67 R N . 53481 1 232 . 1 . 1 68 68 LYS H H 1 8.567 . . . . . . . . 68 K H . 53481 1 233 . 1 . 1 68 68 LYS CA C 13 56.480 . . . . . . . . 68 K CA . 53481 1 234 . 1 . 1 68 68 LYS CB C 13 33.051 . . . . . . . . 68 K CB . 53481 1 235 . 1 . 1 68 68 LYS N N 15 123.714 . . . . . . . . 68 K N . 53481 1 236 . 1 . 1 69 69 ASN H H 1 8.478 . . . . . . . . 69 N H . 53481 1 237 . 1 . 1 69 69 ASN CA C 13 53.370 . . . . . . . . 69 N CA . 53481 1 238 . 1 . 1 69 69 ASN CB C 13 38.701 . . . . . . . . 69 N CB . 53481 1 239 . 1 . 1 69 69 ASN N N 15 120.152 . . . . . . . . 69 N N . 53481 1 240 . 1 . 1 70 70 VAL H H 1 8.106 . . . . . . . . 70 V H . 53481 1 241 . 1 . 1 70 70 VAL CA C 13 56.169 . . . . . . . . 70 V CA . 53481 1 242 . 1 . 1 70 70 VAL CB C 13 30.849 . . . . . . . . 70 V CB . 53481 1 243 . 1 . 1 70 70 VAL N N 15 120.368 . . . . . . . . 70 V N . 53481 1 244 . 1 . 1 71 71 THR H H 1 8.267 . . . . . . . . 71 T H . 53481 1 245 . 1 . 1 71 71 THR CA C 13 61.824 . . . . . . . . 71 T CA . 53481 1 246 . 1 . 1 71 71 THR CB C 13 69.974 . . . . . . . . 71 T CB . 53481 1 247 . 1 . 1 71 71 THR N N 15 116.351 . . . . . . . . 71 T N . 53481 1 248 . 1 . 1 72 72 ALA H H 1 8.308 . . . . . . . . 72 A H . 53481 1 249 . 1 . 1 72 72 ALA CA C 13 52.457 . . . . . . . . 72 A CA . 53481 1 250 . 1 . 1 72 72 ALA CB C 13 19.218 . . . . . . . . 72 A CB . 53481 1 251 . 1 . 1 72 72 ALA N N 15 127.226 . . . . . . . . 72 A N . 53481 1 252 . 1 . 1 73 73 TYR H H 1 8.118 . . . . . . . . 73 Y H . 53481 1 253 . 1 . 1 73 73 TYR CA C 13 58.177 . . . . . . . . 73 Y CA . 53481 1 254 . 1 . 1 73 73 TYR CB C 13 38.621 . . . . . . . . 73 Y CB . 53481 1 255 . 1 . 1 73 73 TYR N N 15 119.702 . . . . . . . . 73 Y N . 53481 1 256 . 1 . 1 74 74 GLY H H 1 8.241 . . . . . . . . 74 G H . 53481 1 257 . 1 . 1 74 74 GLY CA C 13 45.280 . . . . . . . . 74 G CA . 53481 1 258 . 1 . 1 74 74 GLY N N 15 111.036 . . . . . . . . 74 G N . 53481 1 259 . 1 . 1 75 75 SER H H 1 8.108 . . . . . . . . 75 S H . 53481 1 260 . 1 . 1 75 75 SER CA C 13 58.401 . . . . . . . . 75 S CA . 53481 1 261 . 1 . 1 75 75 SER CB C 13 63.992 . . . . . . . . 75 S CB . 53481 1 262 . 1 . 1 75 75 SER N N 15 115.715 . . . . . . . . 75 S N . 53481 1 263 . 1 . 1 76 76 LEU H H 1 8.345 . . . . . . . . 76 L H . 53481 1 264 . 1 . 1 76 76 LEU CA C 13 55.222 . . . . . . . . 76 L CA . 53481 1 265 . 1 . 1 76 76 LEU CB C 13 42.400 . . . . . . . . 76 L CB . 53481 1 266 . 1 . 1 76 76 LEU N N 15 124.360 . . . . . . . . 76 L N . 53481 1 267 . 1 . 1 77 77 GLY H H 1 7.926 . . . . . . . . 77 G H . 53481 1 268 . 1 . 1 77 77 GLY CA C 13 46.146 . . . . . . . . 77 G CA . 53481 1 269 . 1 . 1 77 77 GLY N N 15 115.736 . . . . . . . . 77 G N . 53481 1 stop_ save_