################################### # 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 26623 _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 0.0063 _Assigned_chem_shift_list.Chem_shift_13C_err 0.26 _Assigned_chem_shift_list.Chem_shift_15N_err 0.18 _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 2 '3D HNCACB' . . . 26623 1 3 '3D HNCA' . . . 26623 1 4 '3D HNCO' . . . 26623 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 $NMRView . . 26623 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 8 8 PRO C C 13 177.0329 0.26 . 1 . . . . 1 PRO C . 26623 1 2 . 1 1 8 8 PRO CA C 13 63.4455 0.26 . 1 . . . . 1 PRO CA . 26623 1 3 . 1 1 8 8 PRO CB C 13 32.1483 0.26 . 1 . . . . 1 PRO CB . 26623 1 4 . 1 1 9 9 GLU H H 1 8.4542 0.0063 . 1 . . . . 2 GLU HN . 26623 1 5 . 1 1 9 9 GLU C C 13 176.2535 0.26 . 1 . . . . 2 GLU C . 26623 1 6 . 1 1 9 9 GLU CA C 13 56.4662 0.26 . 1 . . . . 2 GLU CA . 26623 1 7 . 1 1 9 9 GLU CB C 13 30.4640 0.26 . 1 . . . . 2 GLU CB . 26623 1 8 . 1 1 9 9 GLU N N 15 121.2949 0.18 . 1 . . . . 2 GLU N . 26623 1 9 . 1 1 10 10 SER H H 1 8.1523 0.0063 . 1 . . . . 3 SER HN . 26623 1 10 . 1 1 10 10 SER CA C 13 56.5758 0.26 . 1 . . . . 3 SER CA . 26623 1 11 . 1 1 10 10 SER CB C 13 63.4510 0.26 . 1 . . . . 3 SER CB . 26623 1 12 . 1 1 10 10 SER N N 15 118.4234 0.18 . 1 . . . . 3 SER N . 26623 1 13 . 1 1 11 11 PRO C C 13 176.6014 0.26 . 1 . . . . 4 PRO C . 26623 1 14 . 1 1 11 11 PRO CA C 13 63.3311 0.26 . 1 . . . . 4 PRO CA . 26623 1 15 . 1 1 11 11 PRO CB C 13 32.0969 0.26 . 1 . . . . 4 PRO CB . 26623 1 16 . 1 1 12 12 LYS H H 1 8.4059 0.0063 . 1 . . . . 5 LYS HN . 26623 1 17 . 1 1 12 12 LYS C C 13 176.8384 0.26 . 1 . . . . 5 LYS C . 26623 1 18 . 1 1 12 12 LYS CA C 13 55.9962 0.26 . 1 . . . . 5 LYS CA . 26623 1 19 . 1 1 12 12 LYS CB C 13 33.6614 0.26 . 1 . . . . 5 LYS CB . 26623 1 20 . 1 1 12 12 LYS N N 15 121.7340 0.18 . 1 . . . . 5 LYS N . 26623 1 21 . 1 1 13 13 GLY H H 1 8.3111 0.0063 . 1 . . . . 6 GLY HN . 26623 1 22 . 1 1 13 13 GLY CA C 13 45.6301 0.26 . 1 . . . . 6 GLY CA . 26623 1 23 . 1 1 13 13 GLY N N 15 109.5819 0.18 . 1 . . . . 6 GLY N . 26623 1 24 . 1 1 14 14 PRO C C 13 177.7368 0.26 . 1 . . . . 7 PRO C . 26623 1 25 . 1 1 14 14 PRO CA C 13 59.1622 0.26 . 1 . . . . 7 PRO CA . 26623 1 26 . 1 1 15 15 ASP H H 1 8.1426 0.0063 . 1 . . . . 8 ASP HN . 26623 1 27 . 1 1 15 15 ASP C C 13 176.7797 0.26 . 1 . . . . 8 ASP C . 26623 1 28 . 1 1 15 15 ASP CA C 13 57.1274 0.26 . 1 . . . . 8 ASP CA . 26623 1 29 . 1 1 15 15 ASP N N 15 120.7984 0.18 . 1 . . . . 8 ASP N . 26623 1 30 . 1 1 16 16 ILE H H 1 8.2884 0.0063 . 1 . . . . 9 ILE HN . 26623 1 31 . 1 1 16 16 ILE C C 13 177.7976 0.26 . 1 . . . . 9 ILE C . 26623 1 32 . 1 1 16 16 ILE CA C 13 63.3826 0.26 . 1 . . . . 9 ILE CA . 26623 1 33 . 1 1 16 16 ILE N N 15 121.8782 0.18 . 1 . . . . 9 ILE N . 26623 1 34 . 1 1 17 17 LEU H H 1 8.3088 0.0063 . 1 . . . . 10 LEU HN . 26623 1 35 . 1 1 17 17 LEU C C 13 173.5583 0.26 . 1 . . . . 10 LEU C . 26623 1 36 . 1 1 17 17 LEU CA C 13 58.0322 0.26 . 1 . . . . 10 LEU CA . 26623 1 37 . 1 1 17 17 LEU N N 15 119.9863 0.18 . 1 . . . . 10 LEU N . 26623 1 38 . 1 1 18 18 VAL H H 1 7.7107 0.0063 . 1 . . . . 11 VAL HN . 26623 1 39 . 1 1 18 18 VAL C C 13 179.1218 0.26 . 1 . . . . 11 VAL C . 26623 1 40 . 1 1 18 18 VAL CA C 13 67.1252 0.26 . 1 . . . . 11 VAL CA . 26623 1 41 . 1 1 18 18 VAL N N 15 118.4211 0.18 . 1 . . . . 11 VAL N . 26623 1 42 . 1 1 19 19 VAL H H 1 7.9013 0.0063 . 1 . . . . 12 VAL HN . 26623 1 43 . 1 1 19 19 VAL C C 13 178.0533 0.26 . 1 . . . . 12 VAL C . 26623 1 44 . 1 1 19 19 VAL CA C 13 67.2980 0.26 . 1 . . . . 12 VAL CA . 26623 1 45 . 1 1 19 19 VAL N N 15 121.9925 0.18 . 1 . . . . 12 VAL N . 26623 1 46 . 1 1 20 20 LEU H H 1 8.4204 0.0063 . 1 . . . . 13 LEU HN . 26623 1 47 . 1 1 20 20 LEU C C 13 178.8654 0.26 . 1 . . . . 13 LEU C . 26623 1 48 . 1 1 20 20 LEU CA C 13 58.6019 0.26 . 1 . . . . 13 LEU CA . 26623 1 49 . 1 1 20 20 LEU N N 15 119.5214 0.18 . 1 . . . . 13 LEU N . 26623 1 50 . 1 1 21 21 LEU H H 1 8.5561 0.0063 . 1 . . . . 14 LEU HN . 26623 1 51 . 1 1 21 21 LEU C C 13 178.9029 0.26 . 1 . . . . 14 LEU C . 26623 1 52 . 1 1 21 21 LEU CA C 13 58.4259 0.26 . 1 . . . . 14 LEU CA . 26623 1 53 . 1 1 21 21 LEU N N 15 117.9480 0.18 . 1 . . . . 14 LEU N . 26623 1 54 . 1 1 22 22 SER H H 1 8.0896 0.0063 . 1 . . . . 15 SER HN . 26623 1 55 . 1 1 22 22 SER CA C 13 58.3309 0.26 . 1 . . . . 15 SER CA . 26623 1 56 . 1 1 22 22 SER N N 15 116.2280 0.18 . 1 . . . . 15 SER N . 26623 1 57 . 1 1 23 23 VAL C C 13 177.5186 0.26 . 1 . . . . 16 VAL C . 26623 1 58 . 1 1 24 24 MET H H 1 8.3102 0.0063 . 1 . . . . 17 MET HN . 26623 1 59 . 1 1 24 24 MET C C 13 178.1278 0.26 . 1 . . . . 17 MET C . 26623 1 60 . 1 1 24 24 MET CA C 13 59.2994 0.26 . 1 . . . . 17 MET CA . 26623 1 61 . 1 1 24 24 MET N N 15 117.8147 0.18 . 1 . . . . 17 MET N . 26623 1 62 . 1 1 25 25 GLY H H 1 8.7156 0.0063 . 1 . . . . 18 GLY HN . 26623 1 63 . 1 1 25 25 GLY C C 13 174.1197 0.26 . 1 . . . . 18 GLY C . 26623 1 64 . 1 1 25 25 GLY CA C 13 47.7660 0.26 . 1 . . . . 18 GLY CA . 26623 1 65 . 1 1 25 25 GLY N N 15 106.3804 0.18 . 1 . . . . 18 GLY N . 26623 1 66 . 1 1 26 26 ALA H H 1 8.1940 0.0063 . 1 . . . . 19 ALA HN . 26623 1 67 . 1 1 26 26 ALA C C 13 178.8532 0.26 . 1 . . . . 19 ALA C . 26623 1 68 . 1 1 26 26 ALA CA C 13 55.8421 0.26 . 1 . . . . 19 ALA CA . 26623 1 69 . 1 1 26 26 ALA N N 15 123.2800 0.18 . 1 . . . . 19 ALA N . 26623 1 70 . 1 1 27 27 ILE H H 1 8.0826 0.0063 . 1 . . . . 20 ILE HN . 26623 1 71 . 1 1 27 27 ILE C C 13 177.5030 0.26 . 1 . . . . 20 ILE C . 26623 1 72 . 1 1 27 27 ILE CA C 13 63.4000 0.26 . 1 . . . . 20 ILE CA . 26623 1 73 . 1 1 27 27 ILE N N 15 116.9032 0.18 . 1 . . . . 20 ILE N . 26623 1 74 . 1 1 28 28 LEU H H 1 8.1027 0.0063 . 1 . . . . 21 LEU HN . 26623 1 75 . 1 1 28 28 LEU C C 13 178.6870 0.26 . 1 . . . . 21 LEU C . 26623 1 76 . 1 1 28 28 LEU CA C 13 56.5500 0.26 . 1 . . . . 21 LEU CA . 26623 1 77 . 1 1 28 28 LEU N N 15 119.4884 0.18 . 1 . . . . 21 LEU N . 26623 1 78 . 1 1 29 29 LEU H H 1 8.0971 0.0063 . 1 . . . . 22 LEU HN . 26623 1 79 . 1 1 29 29 LEU CA C 13 59.0120 0.26 . 1 . . . . 22 LEU CA . 26623 1 80 . 1 1 29 29 LEU N N 15 117.8840 0.18 . 1 . . . . 22 LEU N . 26623 1 81 . 1 1 30 30 ILE H H 1 8.3102 0.0063 . 1 . . . . 23 ILE HN . 26623 1 82 . 1 1 30 30 ILE C C 13 177.6556 0.26 . 1 . . . . 23 ILE C . 26623 1 83 . 1 1 30 30 ILE CA C 13 68.6093 0.26 . 1 . . . . 23 ILE CA . 26623 1 84 . 1 1 30 30 ILE N N 15 118.4917 0.18 . 1 . . . . 23 ILE N . 26623 1 85 . 1 1 31 31 GLY H H 1 8.6092 0.0063 . 1 . . . . 24 GLY HN . 26623 1 86 . 1 1 31 31 GLY C C 13 175.8088 0.26 . 1 . . . . 24 GLY C . 26623 1 87 . 1 1 31 31 GLY CA C 13 47.3297 0.26 . 1 . . . . 24 GLY CA . 26623 1 88 . 1 1 31 31 GLY N N 15 107.8509 0.18 . 1 . . . . 24 GLY N . 26623 1 89 . 1 1 32 32 LEU H H 1 8.6624 0.0063 . 1 . . . . 25 LEU HN . 26623 1 90 . 1 1 32 32 LEU C C 13 178.3050 0.26 . 1 . . . . 25 LEU C . 26623 1 91 . 1 1 32 32 LEU CA C 13 56.2197 0.26 . 1 . . . . 25 LEU CA . 26623 1 92 . 1 1 32 32 LEU N N 15 121.8097 0.18 . 1 . . . . 25 LEU N . 26623 1 93 . 1 1 33 33 ALA H H 1 8.3360 0.0063 . 1 . . . . 26 ALA HN . 26623 1 94 . 1 1 33 33 ALA C C 13 178.8228 0.26 . 1 . . . . 26 ALA C . 26623 1 95 . 1 1 33 33 ALA CA C 13 55.7803 0.26 . 1 . . . . 26 ALA CA . 26623 1 96 . 1 1 33 33 ALA N N 15 120.8618 0.18 . 1 . . . . 26 ALA N . 26623 1 97 . 1 1 34 34 ALA H H 1 8.4995 0.0063 . 1 . . . . 27 ALA HN . 26623 1 98 . 1 1 34 34 ALA C C 13 178.1257 0.26 . 1 . . . . 27 ALA C . 26623 1 99 . 1 1 34 34 ALA CA C 13 55.6367 0.26 . 1 . . . . 27 ALA CA . 26623 1 100 . 1 1 34 34 ALA N N 15 118.9878 0.18 . 1 . . . . 27 ALA N . 26623 1 101 . 1 1 35 35 LEU H H 1 8.1445 0.0063 . 1 . . . . 28 LEU HN . 26623 1 102 . 1 1 35 35 LEU C C 13 178.5669 0.26 . 1 . . . . 28 LEU C . 26623 1 103 . 1 1 35 35 LEU CA C 13 58.4746 0.26 . 1 . . . . 28 LEU CA . 26623 1 104 . 1 1 35 35 LEU N N 15 118.4214 0.18 . 1 . . . . 28 LEU N . 26623 1 105 . 1 1 36 36 LEU H H 1 8.2304 0.0063 . 1 . . . . 29 LEU HN . 26623 1 106 . 1 1 36 36 LEU C C 13 178.5148 0.26 . 1 . . . . 29 LEU C . 26623 1 107 . 1 1 36 36 LEU CA C 13 58.6034 0.26 . 1 . . . . 29 LEU CA . 26623 1 108 . 1 1 36 36 LEU N N 15 118.9831 0.18 . 1 . . . . 29 LEU N . 26623 1 109 . 1 1 37 37 ILE H H 1 8.3764 0.0063 . 1 . . . . 30 ILE HN . 26623 1 110 . 1 1 37 37 ILE C C 13 177.0140 0.26 . 1 . . . . 30 ILE C . 26623 1 111 . 1 1 37 37 ILE CA C 13 65.2725 0.26 . 1 . . . . 30 ILE CA . 26623 1 112 . 1 1 37 37 ILE N N 15 118.7505 0.18 . 1 . . . . 30 ILE N . 26623 1 113 . 1 1 38 38 TRP H H 1 8.5181 0.0063 . 1 . . . . 31 TRP HN . 26623 1 114 . 1 1 38 38 TRP C C 13 177.0161 0.26 . 1 . . . . 31 TRP C . 26623 1 115 . 1 1 38 38 TRP CA C 13 63.3877 0.26 . 1 . . . . 31 TRP CA . 26623 1 116 . 1 1 38 38 TRP N N 15 121.3306 0.18 . 1 . . . . 31 TRP N . 26623 1 117 . 1 1 39 39 LYS H H 1 8.3588 0.0063 . 1 . . . . 32 LYS HN . 26623 1 118 . 1 1 39 39 LYS C C 13 179.6125 0.26 . 1 . . . . 32 LYS C . 26623 1 119 . 1 1 39 39 LYS CA C 13 58.3803 0.26 . 1 . . . . 32 LYS CA . 26623 1 120 . 1 1 39 39 LYS N N 15 116.4288 0.18 . 1 . . . . 32 LYS N . 26623 1 121 . 1 1 40 40 LEU H H 1 8.3790 0.0063 . 1 . . . . 33 LEU HN . 26623 1 122 . 1 1 40 40 LEU C C 13 179.3460 0.26 . 1 . . . . 33 LEU C . 26623 1 123 . 1 1 40 40 LEU CA C 13 58.5246 0.26 . 1 . . . . 33 LEU CA . 26623 1 124 . 1 1 40 40 LEU N N 15 121.9116 0.18 . 1 . . . . 33 LEU N . 26623 1 125 . 1 1 41 41 LEU H H 1 8.1014 0.0063 . 1 . . . . 34 LEU HN . 26623 1 126 . 1 1 41 41 LEU C C 13 177.5564 0.26 . 1 . . . . 34 LEU C . 26623 1 127 . 1 1 41 41 LEU CA C 13 58.7700 0.26 . 1 . . . . 34 LEU CA . 26623 1 128 . 1 1 41 41 LEU N N 15 117.5424 0.18 . 1 . . . . 34 LEU N . 26623 1 129 . 1 1 42 42 ILE H H 1 8.4256 0.0063 . 1 . . . . 35 ILE HN . 26623 1 130 . 1 1 42 42 ILE C C 13 177.8646 0.26 . 1 . . . . 35 ILE C . 26623 1 131 . 1 1 42 42 ILE CA C 13 68.5890 0.26 . 1 . . . . 35 ILE CA . 26623 1 132 . 1 1 42 42 ILE N N 15 119.4693 0.18 . 1 . . . . 35 ILE N . 26623 1 133 . 1 1 43 43 THR H H 1 7.6697 0.0063 . 1 . . . . 36 THR HN . 26623 1 134 . 1 1 43 43 THR C C 13 176.5292 0.26 . 1 . . . . 36 THR C . 26623 1 135 . 1 1 43 43 THR CA C 13 66.5728 0.26 . 1 . . . . 36 THR CA . 26623 1 136 . 1 1 43 43 THR N N 15 117.0530 0.18 . 1 . . . . 36 THR N . 26623 1 137 . 1 1 44 44 ILE H H 1 8.0972 0.0063 . 1 . . . . 37 ILE HN . 26623 1 138 . 1 1 44 44 ILE C C 13 177.4000 0.26 . 1 . . . . 37 ILE C . 26623 1 139 . 1 1 44 44 ILE N N 15 120.0950 0.18 . 1 . . . . 37 ILE N . 26623 1 140 . 1 1 45 45 HIS H H 1 8.0079 0.0063 . 1 . . . . 38 HIS HN . 26623 1 141 . 1 1 45 45 HIS C C 13 175.7832 0.26 . 1 . . . . 38 HIS C . 26623 1 142 . 1 1 45 45 HIS CA C 13 58.7067 0.26 . 1 . . . . 38 HIS CA . 26623 1 143 . 1 1 45 45 HIS CB C 13 32.6021 0.26 . 1 . . . . 38 HIS CB . 26623 1 144 . 1 1 45 45 HIS N N 15 119.2870 0.18 . 1 . . . . 38 HIS N . 26623 1 145 . 1 1 46 46 ASP H H 1 8.1901 0.0063 . 1 . . . . 39 ASP HN . 26623 1 146 . 1 1 46 46 ASP C C 13 177.2490 0.26 . 1 . . . . 39 ASP C . 26623 1 147 . 1 1 46 46 ASP CA C 13 55.6916 0.26 . 1 . . . . 39 ASP CA . 26623 1 148 . 1 1 46 46 ASP N N 15 119.8351 0.18 . 1 . . . . 39 ASP N . 26623 1 149 . 1 1 47 47 ARG H H 1 7.9562 0.0063 . 1 . . . . 40 ARG HN . 26623 1 150 . 1 1 47 47 ARG C C 13 177.6434 0.26 . 1 . . . . 40 ARG C . 26623 1 151 . 1 1 47 47 ARG CA C 13 57.4500 0.26 . 1 . . . . 40 ARG CA . 26623 1 152 . 1 1 47 47 ARG CB C 13 30.1775 0.26 . 1 . . . . 40 ARG CB . 26623 1 153 . 1 1 47 47 ARG N N 15 120.5192 0.18 . 1 . . . . 40 ARG N . 26623 1 154 . 1 1 48 48 LYS H H 1 8.2388 0.0063 . 1 . . . . 41 LYS HN . 26623 1 155 . 1 1 48 48 LYS CA C 13 56.7601 0.26 . 1 . . . . 41 LYS CA . 26623 1 156 . 1 1 48 48 LYS N N 15 121.4563 0.18 . 1 . . . . 41 LYS N . 26623 1 157 . 1 1 49 49 GLU C C 13 177.3910 0.26 . 1 . . . . 42 GLU C . 26623 1 158 . 1 1 49 49 GLU CA C 13 57.7000 0.26 . 1 . . . . 42 GLU CA . 26623 1 159 . 1 1 50 50 PHE H H 1 7.9735 0.0063 . 1 . . . . 43 PHE HN . 26623 1 160 . 1 1 50 50 PHE C C 13 176.3013 0.26 . 1 . . . . 43 PHE C . 26623 1 161 . 1 1 50 50 PHE CA C 13 62.6633 0.26 . 1 . . . . 43 PHE CA . 26623 1 162 . 1 1 50 50 PHE CB C 13 39.3628 0.26 . 1 . . . . 43 PHE CB . 26623 1 163 . 1 1 50 50 PHE N N 15 119.9025 0.18 . 1 . . . . 43 PHE N . 26623 1 164 . 1 1 51 51 ALA H H 1 7.9000 0.0063 . 1 . . . . 44 ALA HN . 26623 1 165 . 1 1 51 51 ALA C C 13 178.4998 0.26 . 1 . . . . 44 ALA C . 26623 1 166 . 1 1 51 51 ALA CA C 13 53.6601 0.26 . 1 . . . . 44 ALA CA . 26623 1 167 . 1 1 51 51 ALA N N 15 123.2890 0.18 . 1 . . . . 44 ALA N . 26623 1 168 . 1 1 52 52 LYS H H 1 7.7960 0.0063 . 1 . . . . 45 LYS HN . 26623 1 169 . 1 1 52 52 LYS C C 13 177.2952 0.26 . 1 . . . . 45 LYS C . 26623 1 170 . 1 1 52 52 LYS CA C 13 57.5329 0.26 . 1 . . . . 45 LYS CA . 26623 1 171 . 1 1 52 52 LYS CB C 13 32.5986 0.26 . 1 . . . . 45 LYS CB . 26623 1 172 . 1 1 52 52 LYS N N 15 119.2900 0.18 . 1 . . . . 45 LYS N . 26623 1 173 . 1 1 53 53 PHE H H 1 7.8997 0.0063 . 1 . . . . 46 PHE HN . 26623 1 174 . 1 1 53 53 PHE CA C 13 59.1508 0.26 . 1 . . . . 46 PHE CA . 26623 1 175 . 1 1 53 53 PHE CB C 13 39.0887 0.26 . 1 . . . . 46 PHE CB . 26623 1 176 . 1 1 53 53 PHE N N 15 120.6006 0.18 . 1 . . . . 46 PHE N . 26623 1 177 . 1 1 54 54 GLU C C 13 177.6215 0.26 . 1 . . . . 47 GLU C . 26623 1 178 . 1 1 55 55 GLU H H 1 8.1008 0.0063 . 1 . . . . 48 GLU HN . 26623 1 179 . 1 1 55 55 GLU CA C 13 58.1357 0.26 . 1 . . . . 48 GLU CA . 26623 1 180 . 1 1 55 55 GLU CB C 13 30.0627 0.26 . 1 . . . . 48 GLU CB . 26623 1 181 . 1 1 55 55 GLU N N 15 121.3871 0.18 . 1 . . . . 48 GLU N . 26623 1 182 . 1 1 56 56 GLU H H 1 7.9868 0.0063 . 1 . . . . 49 GLU HN . 26623 1 183 . 1 1 56 56 GLU C C 13 177.9345 0.26 . 1 . . . . 49 GLU C . 26623 1 184 . 1 1 56 56 GLU CA C 13 58.0900 0.26 . 1 . . . . 49 GLU CA . 26623 1 185 . 1 1 56 56 GLU CB C 13 30.2641 0.26 . 1 . . . . 49 GLU CB . 26623 1 186 . 1 1 57 57 ARG H H 1 7.9872 0.0063 . 1 . . . . 50 ARG HN . 26623 1 187 . 1 1 57 57 ARG C C 13 177.1265 0.26 . 1 . . . . 50 ARG C . 26623 1 188 . 1 1 57 57 ARG CA C 13 57.5216 0.26 . 1 . . . . 50 ARG CA . 26623 1 189 . 1 1 57 57 ARG CB C 13 30.2641 0.26 . 1 . . . . 50 ARG CB . 26623 1 190 . 1 1 57 57 ARG N N 15 120.5585 0.18 . 1 . . . . 50 ARG N . 26623 1 191 . 1 1 58 58 ALA H H 1 7.8754 0.0063 . 1 . . . . 51 ALA HN . 26623 1 192 . 1 1 58 58 ALA C C 13 178.3435 0.26 . 1 . . . . 51 ALA C . 26623 1 193 . 1 1 58 58 ALA CA C 13 53.4752 0.26 . 1 . . . . 51 ALA CA . 26623 1 194 . 1 1 58 58 ALA CB C 13 18.8823 0.26 . 1 . . . . 51 ALA CB . 26623 1 195 . 1 1 58 58 ALA N N 15 122.9876 0.18 . 1 . . . . 51 ALA N . 26623 1 196 . 1 1 59 59 ARG H H 1 7.8017 0.0063 . 1 . . . . 52 ARG HN . 26623 1 197 . 1 1 59 59 ARG C C 13 176.5030 0.26 . 1 . . . . 52 ARG C . 26623 1 198 . 1 1 59 59 ARG CA C 13 56.9364 0.26 . 1 . . . . 52 ARG CA . 26623 1 199 . 1 1 59 59 ARG CB C 13 30.7017 0.26 . 1 . . . . 52 ARG CB . 26623 1 200 . 1 1 59 59 ARG N N 15 118.8901 0.18 . 1 . . . . 52 ARG N . 26623 1 201 . 1 1 60 60 ALA H H 1 7.8700 0.0063 . 1 . . . . 53 ALA HN . 26623 1 202 . 1 1 60 60 ALA CA C 13 52.8569 0.26 . 1 . . . . 53 ALA CA . 26623 1 203 . 1 1 60 60 ALA CB C 13 19.0362 0.26 . 1 . . . . 53 ALA CB . 26623 1 204 . 1 1 60 60 ALA N N 15 123.5206 0.18 . 1 . . . . 53 ALA N . 26623 1 205 . 1 1 61 61 LYS H H 1 7.8282 0.0063 . 1 . . . . 54 LYS HN . 26623 1 206 . 1 1 61 61 LYS C C 13 177.1427 0.26 . 1 . . . . 54 LYS C . 26623 1 207 . 1 1 61 61 LYS CA C 13 56.8634 0.26 . 1 . . . . 54 LYS CA . 26623 1 208 . 1 1 61 61 LYS CB C 13 32.8929 0.26 . 1 . . . . 54 LYS CB . 26623 1 209 . 1 1 61 61 LYS N N 15 119.3987 0.18 . 1 . . . . 54 LYS N . 26623 1 210 . 1 1 62 62 TRP H H 1 7.8373 0.0063 . 1 . . . . 55 TRP HN . 26623 1 211 . 1 1 62 62 TRP C C 13 175.8817 0.26 . 1 . . . . 55 TRP C . 26623 1 212 . 1 1 62 62 TRP CA C 13 57.1635 0.26 . 1 . . . . 55 TRP CA . 26623 1 213 . 1 1 62 62 TRP CB C 13 29.6056 0.26 . 1 . . . . 55 TRP CB . 26623 1 214 . 1 1 62 62 TRP N N 15 120.5594 0.18 . 1 . . . . 55 TRP N . 26623 1 215 . 1 1 63 63 ASP H H 1 8.0813 0.0063 . 1 . . . . 56 ASP HN . 26623 1 216 . 1 1 63 63 ASP C C 13 176.6359 0.26 . 1 . . . . 56 ASP C . 26623 1 217 . 1 1 63 63 ASP CA C 13 54.3998 0.26 . 1 . . . . 56 ASP CA . 26623 1 218 . 1 1 63 63 ASP CB C 13 41.3266 0.26 . 1 . . . . 56 ASP CB . 26623 1 219 . 1 1 63 63 ASP N N 15 121.8416 0.18 . 1 . . . . 56 ASP N . 26623 1 220 . 1 1 64 64 THR H H 1 7.8877 0.0063 . 1 . . . . 57 THR HN . 26623 1 221 . 1 1 64 64 THR C C 13 174.8447 0.26 . 1 . . . . 57 THR C . 26623 1 222 . 1 1 64 64 THR CA C 13 62.6546 0.26 . 1 . . . . 57 THR CA . 26623 1 223 . 1 1 64 64 THR CB C 13 69.5535 0.26 . 1 . . . . 57 THR CB . 26623 1 224 . 1 1 64 64 THR N N 15 114.1289 0.18 . 1 . . . . 57 THR N . 26623 1 225 . 1 1 65 65 ALA H H 1 8.0670 0.0063 . 1 . . . . 58 ALA HN . 26623 1 226 . 1 1 65 65 ALA C C 13 177.5228 0.26 . 1 . . . . 58 ALA C . 26623 1 227 . 1 1 65 65 ALA CA C 13 53.2106 0.26 . 1 . . . . 58 ALA CA . 26623 1 228 . 1 1 65 65 ALA CB C 13 19.1689 0.26 . 1 . . . . 58 ALA CB . 26623 1 229 . 1 1 65 65 ALA N N 15 124.8716 0.18 . 1 . . . . 58 ALA N . 26623 1 230 . 1 1 66 66 ASN H H 1 8.0004 0.0063 . 1 . . . . 59 ASN HN . 26623 1 231 . 1 1 66 66 ASN C C 13 174.3671 0.26 . 1 . . . . 59 ASN C . 26623 1 232 . 1 1 66 66 ASN CA C 13 53.1431 0.26 . 1 . . . . 59 ASN CA . 26623 1 233 . 1 1 66 66 ASN CB C 13 39.2085 0.26 . 1 . . . . 59 ASN CB . 26623 1 234 . 1 1 66 66 ASN N N 15 116.4221 0.18 . 1 . . . . 59 ASN N . 26623 1 235 . 1 1 67 67 ASN H H 1 7.9450 0.0063 . 1 . . . . 60 ASN HN . 26623 1 236 . 1 1 67 67 ASN CA C 13 51.4698 0.26 . 1 . . . . 60 ASN CA . 26623 1 237 . 1 1 67 67 ASN CB C 13 39.3170 0.26 . 1 . . . . 60 ASN CB . 26623 1 238 . 1 1 67 67 ASN N N 15 120.0010 0.18 . 1 . . . . 60 ASN N . 26623 1 239 . 1 1 68 68 PRO C C 13 177.1583 0.26 . 1 . . . . 61 PRO C . 26623 1 240 . 1 1 68 68 PRO CA C 13 64.0831 0.26 . 1 . . . . 61 PRO CA . 26623 1 241 . 1 1 68 68 PRO CB C 13 32.2368 0.26 . 1 . . . . 61 PRO CB . 26623 1 242 . 1 1 69 69 LEU H H 1 8.0307 0.0063 . 1 . . . . 62 LEU HN . 26623 1 243 . 1 1 69 69 LEU C C 13 177.2979 0.26 . 1 . . . . 62 LEU C . 26623 1 244 . 1 1 69 69 LEU CA C 13 56.1666 0.26 . 1 . . . . 62 LEU CA . 26623 1 245 . 1 1 69 69 LEU CB C 13 46.7869 0.26 . 1 . . . . 62 LEU CB . 26623 1 246 . 1 1 69 69 LEU N N 15 119.8267 0.18 . 1 . . . . 62 LEU N . 26623 1 247 . 1 1 70 70 TYR H H 1 7.6155 0.0063 . 1 . . . . 63 TYR HN . 26623 1 248 . 1 1 70 70 TYR C C 13 175.9666 0.26 . 1 . . . . 63 TYR C . 26623 1 249 . 1 1 70 70 TYR CA C 13 58.1926 0.26 . 1 . . . . 63 TYR CA . 26623 1 250 . 1 1 70 70 TYR CB C 13 38.6175 0.26 . 1 . . . . 63 TYR CB . 26623 1 251 . 1 1 70 70 TYR N N 15 118.7448 0.18 . 1 . . . . 63 TYR N . 26623 1 252 . 1 1 71 71 LYS H H 1 7.8029 0.0063 . 1 . . . . 64 LYS HN . 26623 1 253 . 1 1 71 71 LYS C C 13 176.6590 0.26 . 1 . . . . 64 LYS C . 26623 1 254 . 1 1 71 71 LYS CA C 13 56.9479 0.26 . 1 . . . . 64 LYS CA . 26623 1 255 . 1 1 71 71 LYS CB C 13 33.1761 0.26 . 1 . . . . 64 LYS CB . 26623 1 256 . 1 1 71 71 LYS N N 15 122.3095 0.18 . 1 . . . . 64 LYS N . 26623 1 257 . 1 1 72 72 GLU H H 1 8.1521 0.0063 . 1 . . . . 65 GLU HN . 26623 1 258 . 1 1 72 72 GLU C C 13 176.8514 0.26 . 1 . . . . 65 GLU C . 26623 1 259 . 1 1 72 72 GLU CA C 13 57.0859 0.26 . 1 . . . . 65 GLU CA . 26623 1 260 . 1 1 72 72 GLU CB C 13 30.0977 0.26 . 1 . . . . 65 GLU CB . 26623 1 261 . 1 1 72 72 GLU N N 15 121.3914 0.18 . 1 . . . . 65 GLU N . 26623 1 262 . 1 1 73 73 ALA H H 1 8.1939 0.0063 . 1 . . . . 66 ALA HN . 26623 1 263 . 1 1 73 73 ALA C C 13 178.0385 0.26 . 1 . . . . 66 ALA C . 26623 1 264 . 1 1 73 73 ALA CA C 13 53.2569 0.26 . 1 . . . . 66 ALA CA . 26623 1 265 . 1 1 73 73 ALA CB C 13 19.2638 0.26 . 1 . . . . 66 ALA CB . 26623 1 266 . 1 1 73 73 ALA N N 15 124.5340 0.18 . 1 . . . . 66 ALA N . 26623 1 267 . 1 1 74 74 THR H H 1 7.9184 0.0063 . 1 . . . . 67 THR HN . 26623 1 268 . 1 1 74 74 THR C C 13 175.1410 0.26 . 1 . . . . 67 THR C . 26623 1 269 . 1 1 74 74 THR CA C 13 62.6601 0.26 . 1 . . . . 67 THR CA . 26623 1 270 . 1 1 74 74 THR CB C 13 69.7090 0.26 . 1 . . . . 67 THR CB . 26623 1 271 . 1 1 74 74 THR N N 15 111.9176 0.18 . 1 . . . . 67 THR N . 26623 1 272 . 1 1 75 75 SER H H 1 8.0708 0.0063 . 1 . . . . 68 SER HN . 26623 1 273 . 1 1 75 75 SER C C 13 174.8746 0.26 . 1 . . . . 68 SER C . 26623 1 274 . 1 1 75 75 SER CA C 13 58.9712 0.26 . 1 . . . . 68 SER CA . 26623 1 275 . 1 1 75 75 SER CB C 13 63.8896 0.26 . 1 . . . . 68 SER CB . 26623 1 276 . 1 1 75 75 SER N N 15 117.8760 0.18 . 1 . . . . 68 SER N . 26623 1 277 . 1 1 76 76 THR H H 1 7.9550 0.0063 . 1 . . . . 69 THR HN . 26623 1 278 . 1 1 76 76 THR C C 13 174.5743 0.26 . 1 . . . . 69 THR C . 26623 1 279 . 1 1 76 76 THR CA C 13 63.1300 0.26 . 1 . . . . 69 THR CA . 26623 1 280 . 1 1 76 76 THR CB C 13 69.6438 0.26 . 1 . . . . 69 THR CB . 26623 1 281 . 1 1 76 76 THR N N 15 116.2625 0.18 . 1 . . . . 69 THR N . 26623 1 282 . 1 1 77 77 PHE H H 1 8.0717 0.0063 . 1 . . . . 70 PHE HN . 26623 1 283 . 1 1 77 77 PHE C C 13 175.8545 0.26 . 1 . . . . 70 PHE C . 26623 1 284 . 1 1 77 77 PHE CA C 13 58.3673 0.26 . 1 . . . . 70 PHE CA . 26623 1 285 . 1 1 77 77 PHE CB C 13 39.4266 0.26 . 1 . . . . 70 PHE CB . 26623 1 286 . 1 1 77 77 PHE N N 15 120.9755 0.18 . 1 . . . . 70 PHE N . 26623 1 287 . 1 1 78 78 THR H H 1 7.8321 0.0063 . 1 . . . . 71 THR HN . 26623 1 288 . 1 1 78 78 THR C C 13 174.1861 0.26 . 1 . . . . 71 THR C . 26623 1 289 . 1 1 78 78 THR CA C 13 62.6720 0.26 . 1 . . . . 71 THR CA . 26623 1 290 . 1 1 78 78 THR CB C 13 69.6986 0.26 . 1 . . . . 71 THR CB . 26623 1 291 . 1 1 78 78 THR N N 15 113.9323 0.18 . 1 . . . . 71 THR N . 26623 1 292 . 1 1 79 79 ASN H H 1 8.1510 0.0063 . 1 . . . . 72 ASN HN . 26623 1 293 . 1 1 79 79 ASN C C 13 175.1569 0.26 . 1 . . . . 72 ASN C . 26623 1 294 . 1 1 79 79 ASN CA C 13 53.6643 0.26 . 1 . . . . 72 ASN CA . 26623 1 295 . 1 1 79 79 ASN CB C 13 38.9799 0.26 . 1 . . . . 72 ASN CB . 26623 1 296 . 1 1 79 79 ASN N N 15 120.6291 0.18 . 1 . . . . 72 ASN N . 26623 1 297 . 1 1 80 80 ILE H H 1 7.8525 0.0063 . 1 . . . . 73 ILE HN . 26623 1 298 . 1 1 80 80 ILE C C 13 175.8133 0.26 . 1 . . . . 73 ILE C . 26623 1 299 . 1 1 80 80 ILE CA C 13 61.7348 0.26 . 1 . . . . 73 ILE CA . 26623 1 300 . 1 1 80 80 ILE CB C 13 38.8063 0.26 . 1 . . . . 73 ILE CB . 26623 1 301 . 1 1 80 80 ILE N N 15 120.2772 0.18 . 1 . . . . 73 ILE N . 26623 1 302 . 1 1 81 81 THR H H 1 7.8929 0.0063 . 1 . . . . 74 THR HN . 26623 1 303 . 1 1 81 81 THR C C 13 174.0404 0.26 . 1 . . . . 74 THR C . 26623 1 304 . 1 1 81 81 THR CA C 13 61.9767 0.26 . 1 . . . . 74 THR CA . 26623 1 305 . 1 1 81 81 THR CB C 13 69.9095 0.26 . 1 . . . . 74 THR CB . 26623 1 306 . 1 1 81 81 THR N N 15 116.7972 0.18 . 1 . . . . 74 THR N . 26623 1 307 . 1 1 82 82 TYR H H 1 8.0058 0.0063 . 1 . . . . 75 TYR HN . 26623 1 308 . 1 1 82 82 TYR C C 13 175.3589 0.26 . 1 . . . . 75 TYR C . 26623 1 309 . 1 1 82 82 TYR CA C 13 58.1605 0.26 . 1 . . . . 75 TYR CA . 26623 1 310 . 1 1 82 82 TYR CB C 13 38.9193 0.26 . 1 . . . . 75 TYR CB . 26623 1 311 . 1 1 82 82 TYR N N 15 122.9636 0.18 . 1 . . . . 75 TYR N . 26623 1 312 . 1 1 83 83 ARG H H 1 8.0382 0.0063 . 1 . . . . 76 ARG HN . 26623 1 313 . 1 1 83 83 ARG C C 13 176.1284 0.26 . 1 . . . . 76 ARG C . 26623 1 314 . 1 1 83 83 ARG CA C 13 56.0355 0.26 . 1 . . . . 76 ARG CA . 26623 1 315 . 1 1 83 83 ARG CB C 13 31.0655 0.26 . 1 . . . . 76 ARG CB . 26623 1 316 . 1 1 83 83 ARG N N 15 123.4651 0.18 . 1 . . . . 76 ARG N . 26623 1 317 . 1 1 84 84 GLY H H 1 7.7317 0.0063 . 1 . . . . 77 GLY HN . 26623 1 318 . 1 1 84 84 GLY C C 13 173.2796 0.26 . 1 . . . . 77 GLY C . 26623 1 319 . 1 1 84 84 GLY CA C 13 45.4963 0.26 . 1 . . . . 77 GLY CA . 26623 1 320 . 1 1 84 84 GLY N N 15 109.7102 0.18 . 1 . . . . 77 GLY N . 26623 1 321 . 1 1 85 85 THR H H 1 7.5122 0.0063 . 1 . . . . 78 THR HN . 26623 1 322 . 1 1 85 85 THR CA C 13 63.1670 0.26 . 1 . . . . 78 THR CA . 26623 1 323 . 1 1 85 85 THR CB C 13 70.8662 0.26 . 1 . . . . 78 THR CB . 26623 1 324 . 1 1 85 85 THR N N 15 118.5224 0.18 . 1 . . . . 78 THR N . 26623 1 stop_ save_