################################### # 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 28034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2H isotope effect: all 13C; all nitrogens.' _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 HNCO' . . . 28034 1 2 '3D HNCA' . . . 28034 1 3 '2D 1H-15N HSQC' . . . 28034 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 1 1 GLY C C 13 170.265 . . 1 . . . . . 1 G C . 28034 1 2 . 1 . 1 1 1 GLY CA C 13 42.820 . . 1 . . . . . 1 G CA . 28034 1 3 . 1 . 1 2 2 VAL H H 1 8.497 . . 1 . . . . . 2 V HN . 28034 1 4 . 1 . 1 2 2 VAL C C 13 176.343 . . 1 . . . . . 2 V C . 28034 1 5 . 1 . 1 2 2 VAL CA C 13 61.941 . . 1 . . . . . 2 V CA . 28034 1 6 . 1 . 1 2 2 VAL N N 15 118.592 . . 1 . . . . . 2 V N . 28034 1 7 . 1 . 1 3 3 SER H H 1 8.460 . . 1 . . . . . 3 S HN . 28034 1 8 . 1 . 1 3 3 SER C C 13 174.338 . . 1 . . . . . 3 S C . 28034 1 9 . 1 . 1 3 3 SER CA C 13 57.935 . . 1 . . . . . 3 S CA . 28034 1 10 . 1 . 1 3 3 SER N N 15 118.757 . . 1 . . . . . 3 S N . 28034 1 11 . 1 . 1 4 4 GLU H H 1 8.404 . . 1 . . . . . 4 E HN . 28034 1 12 . 1 . 1 4 4 GLU C C 13 176.052 . . 1 . . . . . 4 E C . 28034 1 13 . 1 . 1 4 4 GLU CA C 13 55.767 . . 1 . . . . . 4 E CA . 28034 1 14 . 1 . 1 4 4 GLU N N 15 122.740 . . 1 . . . . . 4 E N . 28034 1 15 . 1 . 1 5 5 ILE H H 1 8.175 . . 1 . . . . . 5 I HN . 28034 1 16 . 1 . 1 5 5 ILE C C 13 176.056 . . 1 . . . . . 5 I C . 28034 1 17 . 1 . 1 5 5 ILE CA C 13 60.685 . . 1 . . . . . 5 I CA . 28034 1 18 . 1 . 1 5 5 ILE N N 15 122.232 . . 1 . . . . . 5 I N . 28034 1 19 . 1 . 1 6 6 ARG H H 1 8.385 . . 1 . . . . . 6 R HN . 28034 1 20 . 1 . 1 6 6 ARG C C 13 175.878 . . 1 . . . . . 6 R C . 28034 1 21 . 1 . 1 6 6 ARG CA C 13 55.291 . . 1 . . . . . 6 R CA . 28034 1 22 . 1 . 1 6 6 ARG N N 15 124.620 . . 1 . . . . . 6 R N . 28034 1 23 . 1 . 1 7 7 HIS H H 1 8.655 . . 1 . . . . . 7 H HN . 28034 1 24 . 1 . 1 7 7 HIS C C 13 174.524 . . 1 . . . . . 7 H C . 28034 1 25 . 1 . 1 7 7 HIS CA C 13 54.771 . . 1 . . . . . 7 H CA . 28034 1 26 . 1 . 1 7 7 HIS N N 15 120.13 . . 1 . . . . . 7 H N . 28034 1 27 . 1 . 1 8 8 THR H H 1 8.248 . . 1 . . . . . 8 T HN . 28034 1 28 . 1 . 1 8 8 THR C C 13 174.218 . . 1 . . . . . 8 T C . 28034 1 29 . 1 . 1 8 8 THR CA C 13 61.318 . . 1 . . . . . 8 T CA . 28034 1 30 . 1 . 1 8 8 THR N N 15 115.943 . . 1 . . . . . 8 T N . 28034 1 31 . 1 . 1 9 9 ALA H H 1 8.424 . . 1 . . . . . 9 A HN . 28034 1 32 . 1 . 1 9 9 ALA C C 13 177.228 . . 1 . . . . . 9 A C . 28034 1 33 . 1 . 1 9 9 ALA CA C 13 51.987 . . 1 . . . . . 9 A CA . 28034 1 34 . 1 . 1 9 9 ALA N N 15 125.182 . . 1 . . . . . 9 A N . 28034 1 35 . 1 . 1 10 10 ASP H H 1 8.372 . . 1 . . . . . 10 D HN . 28034 1 36 . 1 . 1 10 10 ASP C C 13 175.796 . . 1 . . . . . 10 D C . 28034 1 37 . 1 . 1 10 10 ASP CA C 13 53.854 . . 1 . . . . . 10 D CA . 28034 1 38 . 1 . 1 10 10 ASP N N 15 118.817 . . 1 . . . . . 10 D N . 28034 1 39 . 1 . 1 11 11 ARG H H 1 8.119 . . 1 . . . . . 11 R HN . 28034 1 40 . 1 . 1 11 11 ARG C C 13 175.107 . . 1 . . . . . 11 R C . 28034 1 41 . 1 . 1 11 11 ARG CA C 13 54.715 . . 1 . . . . . 11 R CA . 28034 1 42 . 1 . 1 11 11 ARG N N 15 119.283 . . 1 . . . . . 11 R N . 28034 1 43 . 1 . 1 12 12 TRP H H 1 9.080 . . 1 . . . . . 12 W HN . 28034 1 44 . 1 . 1 12 12 TRP C C 13 174.584 . . 1 . . . . . 12 W C . 28034 1 45 . 1 . 1 12 12 TRP CA C 13 57.595 . . 1 . . . . . 12 W CA . 28034 1 46 . 1 . 1 12 12 TRP N N 15 126.307 . . 1 . . . . . 12 W N . 28034 1 47 . 1 . 1 13 13 ARG H H 1 7.352 . . 1 . . . . . 13 R HN . 28034 1 48 . 1 . 1 13 13 ARG C C 13 174.450 . . 1 . . . . . 13 R C . 28034 1 49 . 1 . 1 13 13 ARG CA C 13 54.482 . . 1 . . . . . 13 R CA . 28034 1 50 . 1 . 1 13 13 ARG N N 15 124.285 . . 1 . . . . . 13 R N . 28034 1 51 . 1 . 1 14 14 VAL H H 1 8.294 . . 1 . . . . . 14 V HN . 28034 1 52 . 1 . 1 14 14 VAL C C 13 173.449 . . 1 . . . . . 14 V C . 28034 1 53 . 1 . 1 14 14 VAL CA C 13 59.632 . . 1 . . . . . 14 V CA . 28034 1 54 . 1 . 1 14 14 VAL N N 15 119.958 . . 1 . . . . . 14 V N . 28034 1 55 . 1 . 1 15 15 SER H H 1 8.002 . . 1 . . . . . 15 S HN . 28034 1 56 . 1 . 1 15 15 SER C C 13 173.103 . . 1 . . . . . 15 S C . 28034 1 57 . 1 . 1 15 15 SER CA C 13 56.271 . . 1 . . . . . 15 S CA . 28034 1 58 . 1 . 1 15 15 SER N N 15 115.757 . . 1 . . . . . 15 S N . 28034 1 59 . 1 . 1 16 16 LEU H H 1 9.111 . . 1 . . . . . 16 L HN . 28034 1 60 . 1 . 1 16 16 LEU C C 13 174.453 . . 1 . . . . . 16 L C . 28034 1 61 . 1 . 1 16 16 LEU CA C 13 53.918 . . 1 . . . . . 16 L CA . 28034 1 62 . 1 . 1 16 16 LEU N N 15 122.931 . . 1 . . . . . 16 L N . 28034 1 63 . 1 . 1 17 17 ASP H H 1 8.519 . . 1 . . . . . 17 D HN . 28034 1 64 . 1 . 1 17 17 ASP C C 13 176.381 . . 1 . . . . . 17 D C . 28034 1 65 . 1 . 1 17 17 ASP CA C 13 53.949 . . 1 . . . . . 17 D CA . 28034 1 66 . 1 . 1 17 17 ASP N N 15 122.679 . . 1 . . . . . 17 D N . 28034 1 67 . 1 . 1 18 18 VAL H H 1 8.643 . . 1 . . . . . 18 V HN . 28034 1 68 . 1 . 1 18 18 VAL C C 13 175.600 . . 1 . . . . . 18 V C . 28034 1 69 . 1 . 1 18 18 VAL CA C 13 58.898 . . 1 . . . . . 18 V CA . 28034 1 70 . 1 . 1 18 18 VAL N N 15 120.280 . . 1 . . . . . 18 V N . 28034 1 71 . 1 . 1 19 19 ASN H H 1 8.132 . . 1 . . . . . 19 N HN . 28034 1 72 . 1 . 1 19 19 ASN C C 13 175.654 . . 1 . . . . . 19 N C . 28034 1 73 . 1 . 1 19 19 ASN CA C 13 55.203 . . 1 . . . . . 19 N CA . 28034 1 74 . 1 . 1 19 19 ASN N N 15 118.816 . . 1 . . . . . 19 N N . 28034 1 75 . 1 . 1 20 20 HIS H H 1 8.560 . . 1 . . . . . 20 H HN . 28034 1 76 . 1 . 1 20 20 HIS C C 13 173.691 . . 1 . . . . . 20 H C . 28034 1 77 . 1 . 1 20 20 HIS CA C 13 56.724 . . 1 . . . . . 20 H CA . 28034 1 78 . 1 . 1 20 20 HIS N N 15 112.755 . . 1 . . . . . 20 H N . 28034 1 79 . 1 . 1 21 21 PHE H H 1 8.029 . . 1 . . . . . 21 F HN . 28034 1 80 . 1 . 1 21 21 PHE C C 13 174.458 . . 1 . . . . . 21 F C . 28034 1 81 . 1 . 1 21 21 PHE CA C 13 57.899 . . 1 . . . . . 21 F CA . 28034 1 82 . 1 . 1 21 21 PHE N N 15 117.851 . . 1 . . . . . 21 F N . 28034 1 83 . 1 . 1 22 22 ALA H H 1 8.894 . . 1 . . . . . 22 A HN . 28034 1 84 . 1 . 1 22 22 ALA CA C 13 49.487 . . 1 . . . . . 22 A CA . 28034 1 85 . 1 . 1 22 22 ALA N N 15 125.523 . . 1 . . . . . 22 A N . 28034 1 86 . 1 . 1 23 23 PRO C C 13 176.459 . . 1 . . . . . 23 P C . 28034 1 87 . 1 . 1 23 23 PRO CA C 13 65.667 . . 1 . . . . . 23 P CA . 28034 1 88 . 1 . 1 24 24 ASP H H 1 8.244 . . 1 . . . . . 24 D HN . 28034 1 89 . 1 . 1 24 24 ASP C C 13 176.603 . . 1 . . . . . 24 D C . 28034 1 90 . 1 . 1 24 24 ASP CA C 13 53.799 . . 1 . . . . . 24 D CA . 28034 1 91 . 1 . 1 24 24 ASP N N 15 110.617 . . 1 . . . . . 24 D N . 28034 1 92 . 1 . 1 25 25 GLU H H 1 8.218 . . 1 . . . . . 25 E HN . 28034 1 93 . 1 . 1 25 25 GLU C C 13 175.461 . . 1 . . . . . 25 E C . 28034 1 94 . 1 . 1 25 25 GLU CA C 13 55.698 . . 1 . . . . . 25 E CA . 28034 1 95 . 1 . 1 25 25 GLU N N 15 118.748 . . 1 . . . . . 25 E N . 28034 1 96 . 1 . 1 26 26 LEU H H 1 7.247 . . 1 . . . . . 26 L HN . 28034 1 97 . 1 . 1 26 26 LEU C C 13 176.455 . . 1 . . . . . 26 L C . 28034 1 98 . 1 . 1 26 26 LEU CA C 13 52.932 . . 1 . . . . . 26 L CA . 28034 1 99 . 1 . 1 26 26 LEU N N 15 120.467 . . 1 . . . . . 26 L N . 28034 1 100 . 1 . 1 27 27 THR H H 1 8.919 . . 1 . . . . . 27 T HN . 28034 1 101 . 1 . 1 27 27 THR C C 13 172.550 . . 1 . . . . . 27 T C . 28034 1 102 . 1 . 1 27 27 THR CA C 13 60.808 . . 1 . . . . . 27 T CA . 28034 1 103 . 1 . 1 27 27 THR N N 15 115.59 . . 1 . . . . . 27 T N . 28034 1 104 . 1 . 1 28 28 VAL H H 1 8.506 . . 1 . . . . . 28 V HN . 28034 1 105 . 1 . 1 28 28 VAL C C 13 175.154 . . 1 . . . . . 28 V C . 28034 1 106 . 1 . 1 28 28 VAL CA C 13 61.198 . . 1 . . . . . 28 V CA . 28034 1 107 . 1 . 1 28 28 VAL N N 15 124.451 . . 1 . . . . . 28 V N . 28034 1 108 . 1 . 1 29 29 LYS H H 1 8.930 . . 1 . . . . . 29 K HN . 28034 1 109 . 1 . 1 29 29 LYS C C 13 174.884 . . 1 . . . . . 29 K C . 28034 1 110 . 1 . 1 29 29 LYS CA C 13 54.419 . . 1 . . . . . 29 K CA . 28034 1 111 . 1 . 1 29 29 LYS N N 15 126.787 . . 1 . . . . . 29 K N . 28034 1 112 . 1 . 1 30 30 THR H H 1 8.614 . . 1 . . . . . 30 T HN . 28034 1 113 . 1 . 1 30 30 THR C C 13 174.273 . . 1 . . . . . 30 T C . 28034 1 114 . 1 . 1 30 30 THR CA C 13 60.917 . . 1 . . . . . 30 T CA . 28034 1 115 . 1 . 1 30 30 THR N N 15 119.039 . . 1 . . . . . 30 T N . 28034 1 116 . 1 . 1 31 31 LYS H H 1 8.744 . . 1 . . . . . 31 K HN . 28034 1 117 . 1 . 1 31 31 LYS C C 13 175.471 . . 1 . . . . . 31 K C . 28034 1 118 . 1 . 1 31 31 LYS CA C 13 55.618 . . 1 . . . . . 31 K CA . 28034 1 119 . 1 . 1 31 31 LYS N N 15 125.181 . . 1 . . . . . 31 K N . 28034 1 120 . 1 . 1 32 32 ASP H H 1 9.268 . . 1 . . . . . 32 D HN . 28034 1 121 . 1 . 1 32 32 ASP C C 13 175.665 . . 1 . . . . . 32 D C . 28034 1 122 . 1 . 1 32 32 ASP CA C 13 55.019 . . 1 . . . . . 32 D CA . 28034 1 123 . 1 . 1 32 32 ASP N N 15 124.830 . . 1 . . . . . 32 D N . 28034 1 124 . 1 . 1 33 33 GLY H H 1 8.846 . . 1 . . . . . 33 G HN . 28034 1 125 . 1 . 1 33 33 GLY C C 13 173.219 . . 1 . . . . . 33 G C . 28034 1 126 . 1 . 1 33 33 GLY CA C 13 45.325 . . 1 . . . . . 33 G CA . 28034 1 127 . 1 . 1 33 33 GLY N N 15 104.236 . . 1 . . . . . 33 G N . 28034 1 128 . 1 . 1 34 34 VAL H H 1 7.788 . . 1 . . . . . 34 V HN . 28034 1 129 . 1 . 1 34 34 VAL C C 13 174.927 . . 1 . . . . . 34 V C . 28034 1 130 . 1 . 1 34 34 VAL CA C 13 60.147 . . 1 . . . . . 34 V CA . 28034 1 131 . 1 . 1 34 34 VAL N N 15 120.157 . . 1 . . . . . 34 V N . 28034 1 132 . 1 . 1 35 35 VAL H H 1 9.186 . . 1 . . . . . 35 V HN . 28034 1 133 . 1 . 1 35 35 VAL C C 13 174.003 . . 1 . . . . . 35 V C . 28034 1 134 . 1 . 1 35 35 VAL CA C 13 60.427 . . 1 . . . . . 35 V CA . 28034 1 135 . 1 . 1 35 35 VAL N N 15 125.372 . . 1 . . . . . 35 V N . 28034 1 136 . 1 . 1 36 36 GLU H H 1 9.421 . . 1 . . . . . 36 E HN . 28034 1 137 . 1 . 1 36 36 GLU C C 13 175.209 . . 1 . . . . . 36 E C . 28034 1 138 . 1 . 1 36 36 GLU CA C 13 54.055 . . 1 . . . . . 36 E CA . 28034 1 139 . 1 . 1 36 36 GLU N N 15 127.372 . . 1 . . . . . 36 E N . 28034 1 140 . 1 . 1 37 37 ILE H H 1 9.420 . . 1 . . . . . 37 I HN . 28034 1 141 . 1 . 1 37 37 ILE C C 13 174.757 . . 1 . . . . . 37 I C . 28034 1 142 . 1 . 1 37 37 ILE CA C 13 59.738 . . 1 . . . . . 37 I CA . 28034 1 143 . 1 . 1 37 37 ILE N N 15 128.104 . . 1 . . . . . 37 I N . 28034 1 144 . 1 . 1 38 38 THR H H 1 8.753 . . 1 . . . . . 38 T HN . 28034 1 145 . 1 . 1 38 38 THR C C 13 172.886 . . 1 . . . . . 38 T C . 28034 1 146 . 1 . 1 38 38 THR CA C 13 59.404 . . 1 . . . . . 38 T CA . 28034 1 147 . 1 . 1 38 38 THR N N 15 119.903 . . 1 . . . . . 38 T N . 28034 1 148 . 1 . 1 39 39 GLY H H 1 7.342 . . 1 . . . . . 39 G HN . 28034 1 149 . 1 . 1 39 39 GLY C C 13 172.475 . . 1 . . . . . 39 G C . 28034 1 150 . 1 . 1 39 39 GLY CA C 13 43.827 . . 1 . . . . . 39 G CA . 28034 1 151 . 1 . 1 39 39 GLY N N 15 109.975 . . 1 . . . . . 39 G N . 28034 1 152 . 1 . 1 40 40 LYS H H 1 8.252 . . 1 . . . . . 40 K HN . 28034 1 153 . 1 . 1 40 40 LYS C C 13 174.075 . . 1 . . . . . 40 K C . 28034 1 154 . 1 . 1 40 40 LYS CA C 13 55.662 . . 1 . . . . . 40 K CA . 28034 1 155 . 1 . 1 40 40 LYS N N 15 122.587 . . 1 . . . . . 40 K N . 28034 1 156 . 1 . 1 41 41 HIS H H 1 8.994 . . 1 . . . . . 41 H HN . 28034 1 157 . 1 . 1 41 41 HIS C C 13 173.212 . . 1 . . . . . 41 H C . 28034 1 158 . 1 . 1 41 41 HIS CA C 13 54.241 . . 1 . . . . . 41 H CA . 28034 1 159 . 1 . 1 41 41 HIS N N 15 122.792 . . 1 . . . . . 41 H N . 28034 1 160 . 1 . 1 42 42 GLU H H 1 8.599 . . 1 . . . . . 42 E HN . 28034 1 161 . 1 . 1 42 42 GLU C C 13 174.86 . . 1 . . . . . 42 E C . 28034 1 162 . 1 . 1 42 42 GLU CA C 13 54.602 . . 1 . . . . . 42 E CA . 28034 1 163 . 1 . 1 42 42 GLU N N 15 126.090 . . 1 . . . . . 42 E N . 28034 1 164 . 1 . 1 43 43 GLU H H 1 8.543 . . 1 . . . . . 43 E HN . 28034 1 165 . 1 . 1 43 43 GLU C C 13 175.424 . . 1 . . . . . 43 E C . 28034 1 166 . 1 . 1 43 43 GLU CA C 13 54.880 . . 1 . . . . . 43 E CA . 28034 1 167 . 1 . 1 43 43 GLU N N 15 122.06 . . 1 . . . . . 43 E N . 28034 1 168 . 1 . 1 44 44 ARG H H 1 8.539 . . 1 . . . . . 44 R HN . 28034 1 169 . 1 . 1 44 44 ARG C C 13 176.149 . . 1 . . . . . 44 R C . 28034 1 170 . 1 . 1 44 44 ARG CA C 13 55.601 . . 1 . . . . . 44 R CA . 28034 1 171 . 1 . 1 44 44 ARG N N 15 122.284 . . 1 . . . . . 44 R N . 28034 1 172 . 1 . 1 45 45 GLN H H 1 8.495 . . 1 . . . . . 45 Q HN . 28034 1 173 . 1 . 1 45 45 GLN C C 13 175.425 . . 1 . . . . . 45 Q C . 28034 1 174 . 1 . 1 45 45 GLN CA C 13 55.621 . . 1 . . . . . 45 Q CA . 28034 1 175 . 1 . 1 45 45 GLN N N 15 121.649 . . 1 . . . . . 45 Q N . 28034 1 176 . 1 . 1 46 46 ASP H H 1 8.447 . . 1 . . . . . 46 D HN . 28034 1 177 . 1 . 1 46 46 ASP C C 13 175.917 . . 1 . . . . . 46 D C . 28034 1 178 . 1 . 1 46 46 ASP CA C 13 54.036 . . 1 . . . . . 46 D CA . 28034 1 179 . 1 . 1 46 46 ASP N N 15 120.027 . . 1 . . . . . 46 D N . 28034 1 180 . 1 . 1 47 47 GLU H H 1 8.349 . . 1 . . . . . 47 E HN . 28034 1 181 . 1 . 1 47 47 GLU C C 13 176.210 . . 1 . . . . . 47 E C . 28034 1 182 . 1 . 1 47 47 GLU CA C 13 56.625 . . 1 . . . . . 47 E CA . 28034 1 183 . 1 . 1 47 47 GLU N N 15 117.954 . . 1 . . . . . 47 E N . 28034 1 184 . 1 . 1 48 48 HIS H H 1 8.434 . . 1 . . . . . 48 H HN . 28034 1 185 . 1 . 1 48 48 HIS C C 13 174.570 . . 1 . . . . . 48 H C . 28034 1 186 . 1 . 1 48 48 HIS CA C 13 55.016 . . 1 . . . . . 48 H CA . 28034 1 187 . 1 . 1 48 48 HIS N N 15 116.647 . . 1 . . . . . 48 H N . 28034 1 188 . 1 . 1 49 49 GLY H H 1 8.238 . . 1 . . . . . 49 G HN . 28034 1 189 . 1 . 1 49 49 GLY C C 13 173.253 . . 1 . . . . . 49 G C . 28034 1 190 . 1 . 1 49 49 GLY CA C 13 44.908 . . 1 . . . . . 49 G CA . 28034 1 191 . 1 . 1 49 49 GLY N N 15 109.270 . . 1 . . . . . 49 G N . 28034 1 192 . 1 . 1 50 50 TYR H H 1 8.206 . . 1 . . . . . 50 Y HN . 28034 1 193 . 1 . 1 50 50 TYR C C 13 175.146 . . 1 . . . . . 50 Y C . 28034 1 194 . 1 . 1 50 50 TYR CA C 13 57.137 . . 1 . . . . . 50 Y CA . 28034 1 195 . 1 . 1 50 50 TYR N N 15 119.907 . . 1 . . . . . 50 Y N . 28034 1 196 . 1 . 1 51 51 ILE H H 1 8.373 . . 1 . . . . . 51 I HN . 28034 1 197 . 1 . 1 51 51 ILE C C 13 175.301 . . 1 . . . . . 51 I C . 28034 1 198 . 1 . 1 51 51 ILE CA C 13 59.772 . . 1 . . . . . 51 I CA . 28034 1 199 . 1 . 1 51 51 ILE N N 15 122.302 . . 1 . . . . . 51 I N . 28034 1 200 . 1 . 1 52 52 SER H H 1 8.412 . . 1 . . . . . 52 S HN . 28034 1 201 . 1 . 1 52 52 SER C C 13 174.373 . . 1 . . . . . 52 S C . 28034 1 202 . 1 . 1 52 52 SER CA C 13 57.351 . . 1 . . . . . 52 S CA . 28034 1 203 . 1 . 1 52 52 SER N N 15 119.949 . . 1 . . . . . 52 S N . 28034 1 204 . 1 . 1 53 53 ARG H H 1 8.552 . . 1 . . . . . 53 R HN . 28034 1 205 . 1 . 1 53 53 ARG C C 13 175.172 . . 1 . . . . . 53 R C . 28034 1 206 . 1 . 1 53 53 ARG CA C 13 55.102 . . 1 . . . . . 53 R CA . 28034 1 207 . 1 . 1 53 53 ARG N N 15 122.598 . . 1 . . . . . 53 R N . 28034 1 208 . 1 . 1 54 54 SER H H 1 8.658 . . 1 . . . . . 54 S HN . 28034 1 209 . 1 . 1 54 54 SER C C 13 173.976 . . 1 . . . . . 54 S C . 28034 1 210 . 1 . 1 54 54 SER CA C 13 57.299 . . 1 . . . . . 54 S CA . 28034 1 211 . 1 . 1 54 54 SER N N 15 116.158 . . 1 . . . . . 54 S N . 28034 1 212 . 1 . 1 55 55 PHE H H 1 8.499 . . 1 . . . . . 55 F HN . 28034 1 213 . 1 . 1 55 55 PHE C C 13 173.191 . . 1 . . . . . 55 F C . 28034 1 214 . 1 . 1 55 55 PHE CA C 13 56.779 . . 1 . . . . . 55 F CA . 28034 1 215 . 1 . 1 55 55 PHE N N 15 117.958 . . 1 . . . . . 55 F N . 28034 1 216 . 1 . 1 56 56 THR H H 1 8.442 . . 1 . . . . . 56 T HN . 28034 1 217 . 1 . 1 56 56 THR C C 13 173.702 . . 1 . . . . . 56 T C . 28034 1 218 . 1 . 1 56 56 THR CA C 13 61.305 . . 1 . . . . . 56 T CA . 28034 1 219 . 1 . 1 56 56 THR N N 15 116.311 . . 1 . . . . . 56 T N . 28034 1 220 . 1 . 1 57 57 ARG H H 1 9.417 . . 1 . . . . . 57 R HN . 28034 1 221 . 1 . 1 57 57 ARG C C 13 173.706 . . 1 . . . . . 57 R C . 28034 1 222 . 1 . 1 57 57 ARG CA C 13 53.895 . . 1 . . . . . 57 R CA . 28034 1 223 . 1 . 1 57 57 ARG N N 15 126.704 . . 1 . . . . . 57 R N . 28034 1 224 . 1 . 1 58 58 LYS H H 1 9.222 . . 1 . . . . . 58 K HN . 28034 1 225 . 1 . 1 58 58 LYS C C 13 175.551 . . 1 . . . . . 58 K C . 28034 1 226 . 1 . 1 58 58 LYS CA C 13 54.474 . . 1 . . . . . 58 K CA . 28034 1 227 . 1 . 1 58 58 LYS N N 15 120.053 . . 1 . . . . . 58 K N . 28034 1 228 . 1 . 1 59 59 TYR H H 1 9.221 . . 1 . . . . . 59 Y HN . 28034 1 229 . 1 . 1 59 59 TYR C C 13 174.912 . . 1 . . . . . 59 Y C . 28034 1 230 . 1 . 1 59 59 TYR CA C 13 56.631 . . 1 . . . . . 59 Y CA . 28034 1 231 . 1 . 1 59 59 TYR N N 15 120.052 . . 1 . . . . . 59 Y N . 28034 1 232 . 1 . 1 60 60 THR H H 1 8.936 . . 1 . . . . . 60 T HN . 28034 1 233 . 1 . 1 60 60 THR C C 13 174.333 . . 1 . . . . . 60 T C . 28034 1 234 . 1 . 1 60 60 THR CA C 13 62.843 . . 1 . . . . . 60 T CA . 28034 1 235 . 1 . 1 60 60 THR N N 15 119.968 . . 1 . . . . . 60 T N . 28034 1 236 . 1 . 1 61 61 LEU H H 1 8.205 . . 1 . . . . . 61 L HN . 28034 1 237 . 1 . 1 61 61 LEU CA C 13 52.291 . . 1 . . . . . 61 L CA . 28034 1 238 . 1 . 1 61 61 LEU N N 15 127.683 . . 1 . . . . . 61 L N . 28034 1 239 . 1 . 1 63 63 PRO C C 13 177.660 . . 1 . . . . . 63 P C . 28034 1 240 . 1 . 1 63 63 PRO CA C 13 63.029 . . 1 . . . . . 63 P CA . 28034 1 241 . 1 . 1 64 64 GLY H H 1 8.519 . . 1 . . . . . 64 G HN . 28034 1 242 . 1 . 1 64 64 GLY C C 13 174.542 . . 1 . . . . . 64 G C . 28034 1 243 . 1 . 1 64 64 GLY CA C 13 44.769 . . 1 . . . . . 64 G CA . 28034 1 244 . 1 . 1 64 64 GLY N N 15 109.577 . . 1 . . . . . 64 G N . 28034 1 245 . 1 . 1 65 65 VAL H H 1 7.041 . . 1 . . . . . 65 V HN . 28034 1 246 . 1 . 1 65 65 VAL C C 13 175.104 . . 1 . . . . . 65 V C . 28034 1 247 . 1 . 1 65 65 VAL CA C 13 62.228 . . 1 . . . . . 65 V CA . 28034 1 248 . 1 . 1 65 65 VAL N N 15 119.761 . . 1 . . . . . 65 V N . 28034 1 249 . 1 . 1 66 66 ASP H H 1 8.832 . . 1 . . . . . 66 D HN . 28034 1 250 . 1 . 1 66 66 ASP CA C 13 50.082 . . 1 . . . . . 66 D CA . 28034 1 251 . 1 . 1 66 66 ASP N N 15 129.036 . . 1 . . . . . 66 D N . 28034 1 252 . 1 . 1 67 67 PRO C C 13 178.445 . . 1 . . . . . 67 P C . 28034 1 253 . 1 . 1 67 67 PRO CA C 13 63.923 . . 1 . . . . . 67 P CA . 28034 1 254 . 1 . 1 68 68 THR H H 1 8.343 . . 1 . . . . . 68 T HN . 28034 1 255 . 1 . 1 68 68 THR C C 13 175.927 . . 1 . . . . . 68 T C . 28034 1 256 . 1 . 1 68 68 THR CA C 13 63.421 . . 1 . . . . . 68 T CA . 28034 1 257 . 1 . 1 68 68 THR N N 15 108.695 . . 1 . . . . . 68 T N . 28034 1 258 . 1 . 1 69 69 GLN H H 1 7.984 . . 1 . . . . . 69 Q HN . 28034 1 259 . 1 . 1 69 69 GLN C C 13 174.964 . . 1 . . . . . 69 Q C . 28034 1 260 . 1 . 1 69 69 GLN CA C 13 54.434 . . 1 . . . . . 69 Q CA . 28034 1 261 . 1 . 1 69 69 GLN N N 15 118.606 . . 1 . . . . . 69 Q N . 28034 1 262 . 1 . 1 70 70 VAL H H 1 6.930 . . 1 . . . . . 70 V HN . 28034 1 263 . 1 . 1 70 70 VAL C C 13 176.113 . . 1 . . . . . 70 V C . 28034 1 264 . 1 . 1 70 70 VAL CA C 13 62.440 . . 1 . . . . . 70 V CA . 28034 1 265 . 1 . 1 70 70 VAL N N 15 120.166 . . 1 . . . . . 70 V N . 28034 1 266 . 1 . 1 71 71 SER H H 1 9.478 . . 1 . . . . . 71 S HN . 28034 1 267 . 1 . 1 71 71 SER C C 13 172.148 . . 1 . . . . . 71 S C . 28034 1 268 . 1 . 1 71 71 SER CA C 13 56.498 . . 1 . . . . . 71 S CA . 28034 1 269 . 1 . 1 71 71 SER N N 15 124.104 . . 1 . . . . . 71 S N . 28034 1 270 . 1 . 1 72 72 SER H H 1 8.419 . . 1 . . . . . 72 S HN . 28034 1 271 . 1 . 1 72 72 SER C C 13 173.548 . . 1 . . . . . 72 S C . 28034 1 272 . 1 . 1 72 72 SER CA C 13 56.555 . . 1 . . . . . 72 S CA . 28034 1 273 . 1 . 1 72 72 SER N N 15 113.529 . . 1 . . . . . 72 S N . 28034 1 274 . 1 . 1 73 73 SER H H 1 8.651 . . 1 . . . . . 73 S HN . 28034 1 275 . 1 . 1 73 73 SER C C 13 171.775 . . 1 . . . . . 73 S C . 28034 1 276 . 1 . 1 73 73 SER CA C 13 57.055 . . 1 . . . . . 73 S CA . 28034 1 277 . 1 . 1 73 73 SER N N 15 113.931 . . 1 . . . . . 73 S N . 28034 1 278 . 1 . 1 74 74 LEU H H 1 8.647 . . 1 . . . . . 74 L HN . 28034 1 279 . 1 . 1 74 74 LEU C C 13 176.251 . . 1 . . . . . 74 L C . 28034 1 280 . 1 . 1 74 74 LEU CA C 13 52.927 . . 1 . . . . . 74 L CA . 28034 1 281 . 1 . 1 74 74 LEU N N 15 126.404 . . 1 . . . . . 74 L N . 28034 1 282 . 1 . 1 75 75 SER H H 1 8.931 . . 1 . . . . . 75 S HN . 28034 1 283 . 1 . 1 75 75 SER CA C 13 55.684 . . 1 . . . . . 75 S CA . 28034 1 284 . 1 . 1 75 75 SER N N 15 123.745 . . 1 . . . . . 75 S N . 28034 1 285 . 1 . 1 76 76 PRO C C 13 177.251 . . 1 . . . . . 76 P C . 28034 1 286 . 1 . 1 76 76 PRO CA C 13 64.361 . . 1 . . . . . 76 P CA . 28034 1 287 . 1 . 1 77 77 GLU H H 1 7.797 . . 1 . . . . . 77 E HN . 28034 1 288 . 1 . 1 77 77 GLU C C 13 176.574 . . 1 . . . . . 77 E C . 28034 1 289 . 1 . 1 77 77 GLU CA C 13 56.148 . . 1 . . . . . 77 E CA . 28034 1 290 . 1 . 1 77 77 GLU N N 15 113.402 . . 1 . . . . . 77 E N . 28034 1 291 . 1 . 1 78 78 GLY H H 1 8.084 . . 1 . . . . . 78 G HN . 28034 1 292 . 1 . 1 78 78 GLY C C 13 172.747 . . 1 . . . . . 78 G C . 28034 1 293 . 1 . 1 78 78 GLY CA C 13 45.813 . . 1 . . . . . 78 G CA . 28034 1 294 . 1 . 1 78 78 GLY N N 15 107.920 . . 1 . . . . . 78 G N . 28034 1 295 . 1 . 1 79 79 THR H H 1 7.459 . . 1 . . . . . 79 T HN . 28034 1 296 . 1 . 1 79 79 THR C C 13 173.822 . . 1 . . . . . 79 T C . 28034 1 297 . 1 . 1 79 79 THR CA C 13 61.216 . . 1 . . . . . 79 T CA . 28034 1 298 . 1 . 1 79 79 THR N N 15 113.858 . . 1 . . . . . 79 T N . 28034 1 299 . 1 . 1 80 80 LEU H H 1 9.520 . . 1 . . . . . 80 L HN . 28034 1 300 . 1 . 1 80 80 LEU C C 13 174.734 . . 1 . . . . . 80 L C . 28034 1 301 . 1 . 1 80 80 LEU CA C 13 53.372 . . 1 . . . . . 80 L CA . 28034 1 302 . 1 . 1 80 80 LEU N N 15 133.356 . . 1 . . . . . 80 L N . 28034 1 303 . 1 . 1 81 81 THR H H 1 9.124 . . 1 . . . . . 81 T HN . 28034 1 304 . 1 . 1 81 81 THR C C 13 173.610 . . 1 . . . . . 81 T C . 28034 1 305 . 1 . 1 81 81 THR CA C 13 61.174 . . 1 . . . . . 81 T CA . 28034 1 306 . 1 . 1 81 81 THR N N 15 122.918 . . 1 . . . . . 81 T N . 28034 1 307 . 1 . 1 82 82 VAL H H 1 8.840 . . 1 . . . . . 82 V HN . 28034 1 308 . 1 . 1 82 82 VAL C C 13 173.436 . . 1 . . . . . 82 V C . 28034 1 309 . 1 . 1 82 82 VAL CA C 13 60.139 . . 1 . . . . . 82 V CA . 28034 1 310 . 1 . 1 82 82 VAL N N 15 128.077 . . 1 . . . . . 82 V N . 28034 1 311 . 1 . 1 83 83 GLU H H 1 8.920 . . 1 . . . . . 83 E HN . 28034 1 312 . 1 . 1 83 83 GLU C C 13 174.266 . . 1 . . . . . 83 E C . 28034 1 313 . 1 . 1 83 83 GLU CA C 13 53.629 . . 1 . . . . . 83 E CA . 28034 1 314 . 1 . 1 83 83 GLU N N 15 121.235 . . 1 . . . . . 83 E N . 28034 1 315 . 1 . 1 84 84 ALA H H 1 9.076 . . 1 . . . . . 84 A HN . 28034 1 316 . 1 . 1 84 84 ALA CA C 13 50.041 . . 1 . . . . . 84 A CA . 28034 1 317 . 1 . 1 84 84 ALA N N 15 119.667 . . 1 . . . . . 84 A N . 28034 1 318 . 1 . 1 85 85 PRO C C 13 176.195 . . 1 . . . . . 85 P C . 28034 1 319 . 1 . 1 85 85 PRO CA C 13 62.316 . . 1 . . . . . 85 P CA . 28034 1 320 . 1 . 1 86 86 MET H H 1 7.961 . . 1 . . . . . 86 M HN . 28034 1 321 . 1 . 1 86 86 MET CA C 13 52.185 . . 1 . . . . . 86 M CA . 28034 1 322 . 1 . 1 86 86 MET N N 15 119.378 . . 1 . . . . . 86 M N . 28034 1 323 . 1 . 1 87 87 PRO C C 13 175.974 . . 1 . . . . . 87 P C . 28034 1 324 . 1 . 1 87 87 PRO CA C 13 62.762 . . 1 . . . . . 87 P CA . 28034 1 325 . 1 . 1 88 88 LYS H H 1 7.977 . . 1 . . . . . 88 K HN . 28034 1 326 . 1 . 1 88 88 LYS CA C 13 57.056 . . 1 . . . . . 88 K CA . 28034 1 327 . 1 . 1 88 88 LYS N N 15 125.057 . . 1 . . . . . 88 K N . 28034 1 stop_ save_