################################### # 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 15594 _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' . . . 15594 1 2 'GFT HNCO' . . . 15594 1 3 'GFT HN(CO)CA' . . . 15594 1 4 'GFT CB(CACO)NH' . . . 15594 1 5 'GFT HNHA' . . . 15594 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 1 1 LYS H H 1 8.75 0.05 . 1 . . . . 1 LYS HN . 15594 1 2 . 1 1 1 1 LYS C C 13 173.78 0.05 . 1 . . . . 1 LYS C . 15594 1 3 . 1 1 1 1 LYS CA C 13 54.99 0.05 . 1 . . . . 1 LYS CA . 15594 1 4 . 1 1 1 1 LYS CB C 13 34.47 0.05 . 1 . . . . 1 LYS CB . 15594 1 5 . 1 1 1 1 LYS N N 15 123.83 0.05 . 1 . . . . 1 LYS N . 15594 1 6 . 1 1 2 2 SER H H 1 9.01 0.05 . 1 . . . . 2 SER HN . 15594 1 7 . 1 1 2 2 SER HA H 1 4.68 0.05 . 1 . . . . 2 SER HA . 15594 1 8 . 1 1 2 2 SER N N 15 119.39 0.05 . 1 . . . . 2 SER N . 15594 1 9 . 1 1 3 3 PRO C C 13 177.63 0.05 . 1 . . . . 3 PRO C . 15594 1 10 . 1 1 3 3 PRO CA C 13 65 0.05 . 1 . . . . 3 PRO CA . 15594 1 11 . 1 1 3 3 PRO CB C 13 31.79 0.05 . 1 . . . . 3 PRO CB . 15594 1 12 . 1 1 4 4 GLU H H 1 8.60 0.05 . 1 . . . . 4 GLU HN . 15594 1 13 . 1 1 4 4 GLU HA H 1 3.90 0.05 . 1 . . . . 4 GLU HA . 15594 1 14 . 1 1 4 4 GLU C C 13 177.91 0.05 . 1 . . . . 4 GLU C . 15594 1 15 . 1 1 4 4 GLU CB C 13 28.98 0.05 . 1 . . . . 4 GLU CB . 15594 1 16 . 1 1 4 4 GLU N N 15 117.75 0.05 . 1 . . . . 4 GLU N . 15594 1 17 . 1 1 5 5 GLU H H 1 7.98 0.05 . 1 . . . . 5 GLU HN . 15594 1 18 . 1 1 5 5 GLU HA H 1 4.17 0.05 . 1 . . . . 5 GLU HA . 15594 1 19 . 1 1 5 5 GLU C C 13 178.29 0.05 . 1 . . . . 5 GLU C . 15594 1 20 . 1 1 5 5 GLU CA C 13 58.14 0.05 . 1 . . . . 5 GLU CA . 15594 1 21 . 1 1 5 5 GLU CB C 13 30.45 0.05 . 1 . . . . 5 GLU CB . 15594 1 22 . 1 1 5 5 GLU N N 15 121.89 0.05 . 1 . . . . 5 GLU N . 15594 1 23 . 1 1 6 6 LEU H H 1 8.45 0.05 . 1 . . . . 6 LEU HN . 15594 1 24 . 1 1 6 6 LEU HA H 1 4.31 0.05 . 1 . . . . 6 LEU HA . 15594 1 25 . 1 1 6 6 LEU C C 13 176.66 0.05 . 1 . . . . 6 LEU C . 15594 1 26 . 1 1 6 6 LEU CA C 13 57.31 0.05 . 1 . . . . 6 LEU CA . 15594 1 27 . 1 1 6 6 LEU CB C 13 42.09 0.05 . 1 . . . . 6 LEU CB . 15594 1 28 . 1 1 6 6 LEU N N 15 120.25 0.05 . 1 . . . . 6 LEU N . 15594 1 29 . 1 1 7 7 LYS H H 1 8.10 0.05 . 1 . . . . 7 LYS HN . 15594 1 30 . 1 1 7 7 LYS HA H 1 3.76 0.05 . 1 . . . . 7 LYS HA . 15594 1 31 . 1 1 7 7 LYS C C 13 176.16 0.05 . 1 . . . . 7 LYS C . 15594 1 32 . 1 1 7 7 LYS CA C 13 59.11 0.05 . 1 . . . . 7 LYS CA . 15594 1 33 . 1 1 7 7 LYS CB C 13 32.11 0.05 . 1 . . . . 7 LYS CB . 15594 1 34 . 1 1 7 7 LYS N N 15 120.96 0.05 . 1 . . . . 7 LYS N . 15594 1 35 . 1 1 8 8 GLY H H 1 7.86 0.05 . 1 . . . . 8 GLY HN . 15594 1 36 . 1 1 8 8 GLY HA2 H 1 3.97 0.05 . 1 . . . . 8 GLY HA . 15594 1 37 . 1 1 8 8 GLY HA3 H 1 3.97 0.05 . 1 . . . . 8 GLY HA . 15594 1 38 . 1 1 8 8 GLY C C 13 175.52 0.05 . 1 . . . . 8 GLY C . 15594 1 39 . 1 1 8 8 GLY CA C 13 46.49 0.05 . 1 . . . . 8 GLY CA . 15594 1 40 . 1 1 8 8 GLY N N 15 105.43 0.05 . 1 . . . . 8 GLY N . 15594 1 41 . 1 1 9 9 ILE H H 1 8.13 0.05 . 1 . . . . 9 ILE HN . 15594 1 42 . 1 1 9 9 ILE HA H 1 4.14 0.05 . 1 . . . . 9 ILE HA . 15594 1 43 . 1 1 9 9 ILE C C 13 175.32 0.05 . 1 . . . . 9 ILE C . 15594 1 44 . 1 1 9 9 ILE CA C 13 65.01 0.05 . 1 . . . . 9 ILE CA . 15594 1 45 . 1 1 9 9 ILE CB C 13 39.04 0.05 . 1 . . . . 9 ILE CB . 15594 1 46 . 1 1 9 9 ILE N N 15 122.87 0.05 . 1 . . . . 9 ILE N . 15594 1 47 . 1 1 10 10 PHE H H 1 8.59 0.05 . 1 . . . . 10 PHE HN . 15594 1 48 . 1 1 10 10 PHE HA H 1 4.47 0.05 . 1 . . . . 10 PHE HA . 15594 1 49 . 1 1 10 10 PHE C C 13 175.01 0.05 . 1 . . . . 10 PHE C . 15594 1 50 . 1 1 10 10 PHE CA C 13 62.47 0.05 . 1 . . . . 10 PHE CA . 15594 1 51 . 1 1 10 10 PHE CB C 13 39.67 0.05 . 1 . . . . 10 PHE CB . 15594 1 52 . 1 1 10 10 PHE N N 15 120.43 0.05 . 1 . . . . 10 PHE N . 15594 1 53 . 1 1 11 11 GLU H H 1 8.60 0.05 . 1 . . . . 11 GLU HN . 15594 1 54 . 1 1 11 11 GLU HA H 1 3.75 0.05 . 1 . . . . 11 GLU HA . 15594 1 55 . 1 1 11 11 GLU C C 13 177.63 0.05 . 1 . . . . 11 GLU C . 15594 1 56 . 1 1 11 11 GLU CA C 13 58.44 0.05 . 1 . . . . 11 GLU CA . 15594 1 57 . 1 1 11 11 GLU CB C 13 29.84 0.05 . 1 . . . . 11 GLU CB . 15594 1 58 . 1 1 11 11 GLU N N 15 115.41 0.05 . 1 . . . . 11 GLU N . 15594 1 59 . 1 1 12 12 LYS H H 1 7.94 0.05 . 1 . . . . 12 LYS HN . 15594 1 60 . 1 1 12 12 LYS HA H 1 4.08 0.05 . 1 . . . . 12 LYS HA . 15594 1 61 . 1 1 12 12 LYS CA C 13 58.44 0.05 . 1 . . . . 12 LYS CA . 15594 1 62 . 1 1 12 12 LYS CB C 13 32.72 0.05 . 1 . . . . 12 LYS CB . 15594 1 63 . 1 1 12 12 LYS N N 15 119.22 0.05 . 1 . . . . 12 LYS N . 15594 1 64 . 1 1 13 13 TYR H H 1 7.74 0.05 . 1 . . . . 13 TYR HN . 15594 1 65 . 1 1 13 13 TYR HA H 1 4.58 0.05 . 1 . . . . 13 TYR HA . 15594 1 66 . 1 1 13 13 TYR C C 13 39.87 0.05 . 1 . . . . 13 TYR C . 15594 1 67 . 1 1 13 13 TYR CA C 13 61.28 0.05 . 1 . . . . 13 TYR CA . 15594 1 68 . 1 1 13 13 TYR CB C 13 175.51 0.05 . 1 . . . . 13 TYR CB . 15594 1 69 . 1 1 13 13 TYR N N 15 115.32 0.05 . 1 . . . . 13 TYR N . 15594 1 70 . 1 1 14 14 ALA H H 1 9.06 0.05 . 1 . . . . 14 ALA HN . 15594 1 71 . 1 1 14 14 ALA HA H 1 3.85 0.05 . 1 . . . . 14 ALA HA . 15594 1 72 . 1 1 14 14 ALA C C 13 177.99 0.05 . 1 . . . . 14 ALA C . 15594 1 73 . 1 1 14 14 ALA CA C 13 54.28 0.05 . 1 . . . . 14 ALA CA . 15594 1 74 . 1 1 14 14 ALA CB C 13 18.79 0.05 . 1 . . . . 14 ALA CB . 15594 1 75 . 1 1 14 14 ALA N N 15 120.14 0.05 . 1 . . . . 14 ALA N . 15594 1 76 . 1 1 15 15 ALA H H 1 7.35 0.05 . 1 . . . . 15 ALA HN . 15594 1 77 . 1 1 15 15 ALA HA H 1 4.55 0.05 . 1 . . . . 15 ALA HA . 15594 1 78 . 1 1 15 15 ALA C C 13 176.27 0.05 . 1 . . . . 15 ALA C . 15594 1 79 . 1 1 15 15 ALA CA C 13 52.28 0.05 . 1 . . . . 15 ALA CA . 15594 1 80 . 1 1 15 15 ALA CB C 13 19.67 0.05 . 1 . . . . 15 ALA CB . 15594 1 81 . 1 1 15 15 ALA N N 15 117.64 0.05 . 1 . . . . 15 ALA N . 15594 1 82 . 1 1 16 16 LYS H H 1 7.69 0.05 . 1 . . . . 16 LYS HN . 15594 1 83 . 1 1 16 16 LYS HA H 1 4.20 0.05 . 1 . . . . 16 LYS HA . 15594 1 84 . 1 1 16 16 LYS C C 13 175.83 0.05 . 1 . . . . 16 LYS C . 15594 1 85 . 1 1 16 16 LYS CA C 13 59.78 0.05 . 1 . . . . 16 LYS CA . 15594 1 86 . 1 1 16 16 LYS CB C 13 33.30 0.05 . 1 . . . . 16 LYS CB . 15594 1 87 . 1 1 16 16 LYS N N 15 120.34 0.05 . 1 . . . . 16 LYS N . 15594 1 88 . 1 1 17 17 GLU H H 1 10.17 0.05 . 1 . . . . 17 GLU HN . 15594 1 89 . 1 1 17 17 GLU HA H 1 4.99 0.05 . 1 . . . . 17 GLU HA . 15594 1 90 . 1 1 17 17 GLU C C 13 174.79 0.05 . 1 . . . . 17 GLU C . 15594 1 91 . 1 1 17 17 GLU CA C 13 53.91 0.05 . 1 . . . . 17 GLU CA . 15594 1 92 . 1 1 17 17 GLU N N 15 116.56 0.05 . 1 . . . . 17 GLU N . 15594 1 93 . 1 1 18 18 GLY H H 1 9.10 0.05 . 1 . . . . 18 GLY HN . 15594 1 94 . 1 1 18 18 GLY N N 15 113.23 0.05 . 1 . . . . 18 GLY N . 15594 1 95 . 1 1 19 19 ASP H H 1 7.73 0.05 . 1 . . . . 19 ASP HN . 15594 1 96 . 1 1 19 19 ASP N N 15 126.28 0.05 . 1 . . . . 19 ASP N . 15594 1 97 . 1 1 21 21 ASN H H 1 9.09 0.05 . 1 . . . . 21 ASN HN . 15594 1 98 . 1 1 21 21 ASN N N 15 115.85 0.05 . 1 . . . . 21 ASN N . 15594 1 99 . 1 1 24 24 SER C C 13 176.12 0.05 . 1 . . . . 24 SER C . 15594 1 100 . 1 1 25 25 LYS H H 1 10.40 0.05 . 1 . . . . 25 LYS HN . 15594 1 101 . 1 1 25 25 LYS C C 13 177.60 0.05 . 1 . . . . 25 LYS C . 15594 1 102 . 1 1 25 25 LYS N N 15 124.35 0.05 . 1 . . . . 25 LYS N . 15594 1 103 . 1 1 26 26 GLU H H 1 9.25 0.05 . 1 . . . . 26 GLU HN . 15594 1 104 . 1 1 26 26 GLU N N 15 118.47 0.05 . 1 . . . . 26 GLU N . 15594 1 105 . 1 1 27 27 GLU C C 13 178.58 0.05 . 1 . . . . 27 GLU C . 15594 1 106 . 1 1 27 27 GLU CA C 13 59.92 0.05 . 1 . . . . 27 GLU CA . 15594 1 107 . 1 1 28 28 LEU H H 1 10.81 0.05 . 1 . . . . 28 LEU HN . 15594 1 108 . 1 1 28 28 LEU C C 13 177.28 0.05 . 1 . . . . 28 LEU C . 15594 1 109 . 1 1 28 28 LEU CB C 13 43.57 0.05 . 1 . . . . 28 LEU CB . 15594 1 110 . 1 1 28 28 LEU N N 15 121.06 0.05 . 1 . . . . 28 LEU N . 15594 1 111 . 1 1 29 29 LYS H H 1 9.68 0.05 . 1 . . . . 29 LYS HN . 15594 1 112 . 1 1 29 29 LYS HA H 1 4.48 0.05 . 1 . . . . 29 LYS HA . 15594 1 113 . 1 1 29 29 LYS C C 13 176.67 0.05 . 1 . . . . 29 LYS C . 15594 1 114 . 1 1 29 29 LYS CA C 13 60.77 0.05 . 1 . . . . 29 LYS CA . 15594 1 115 . 1 1 29 29 LYS CB C 13 32.91 0.05 . 1 . . . . 29 LYS CB . 15594 1 116 . 1 1 29 29 LYS N N 15 121.14 0.05 . 1 . . . . 29 LYS N . 15594 1 117 . 1 1 30 30 LEU H H 1 8.41 0.05 . 1 . . . . 30 LEU HN . 15594 1 118 . 1 1 30 30 LEU CA C 13 57.73 0.05 . 1 . . . . 30 LEU CA . 15594 1 119 . 1 1 30 30 LEU CB C 13 42.57 0.05 . 1 . . . . 30 LEU CB . 15594 1 120 . 1 1 30 30 LEU N N 15 119 0.05 . 1 . . . . 30 LEU N . 15594 1 121 . 1 1 31 31 LEU H H 1 9.01 0.05 . 1 . . . . 31 LEU HN . 15594 1 122 . 1 1 31 31 LEU HA H 1 2.92 0.05 . 1 . . . . 31 LEU HA . 15594 1 123 . 1 1 31 31 LEU C C 13 178.28 0.05 . 1 . . . . 31 LEU C . 15594 1 124 . 1 1 31 31 LEU CA C 13 59.03 0.05 . 1 . . . . 31 LEU CA . 15594 1 125 . 1 1 31 31 LEU N N 15 124.84 0.05 . 1 . . . . 31 LEU N . 15594 1 126 . 1 1 32 32 LEU H H 1 9.68 0.05 . 1 . . . . 32 LEU HN . 15594 1 127 . 1 1 32 32 LEU HA H 1 4.49 0.05 . 1 . . . . 32 LEU HA . 15594 1 128 . 1 1 32 32 LEU C C 13 177.36 0.05 . 1 . . . . 32 LEU C . 15594 1 129 . 1 1 32 32 LEU CA C 13 58.52 0.05 . 1 . . . . 32 LEU CA . 15594 1 130 . 1 1 32 32 LEU CB C 13 42.76 0.05 . 1 . . . . 32 LEU CB . 15594 1 131 . 1 1 32 32 LEU N N 15 120.58 0.05 . 1 . . . . 32 LEU N . 15594 1 132 . 1 1 33 33 GLN H H 1 9.14 0.05 . 1 . . . . 33 GLN HN . 15594 1 133 . 1 1 33 33 GLN HA H 1 4.25 0.05 . 1 . . . . 33 GLN HA . 15594 1 134 . 1 1 33 33 GLN C C 13 176.05 0.05 . 1 . . . . 33 GLN C . 15594 1 135 . 1 1 33 33 GLN CA C 13 58.60 0.05 . 1 . . . . 33 GLN CA . 15594 1 136 . 1 1 33 33 GLN CB C 13 29.73 0.05 . 1 . . . . 33 GLN CB . 15594 1 137 . 1 1 33 33 GLN N N 15 115.01 0.05 . 1 . . . . 33 GLN N . 15594 1 138 . 1 1 34 34 THR H H 1 8 0.05 . 1 . . . . 34 THR HN . 15594 1 139 . 1 1 34 34 THR HA H 1 4.39 0.05 . 1 . . . . 34 THR HA . 15594 1 140 . 1 1 34 34 THR C C 13 174.13 0.05 . 1 . . . . 34 THR C . 15594 1 141 . 1 1 34 34 THR CA C 13 65.25 0.05 . 1 . . . . 34 THR CA . 15594 1 142 . 1 1 34 34 THR CB C 13 69.92 0.05 . 1 . . . . 34 THR CB . 15594 1 143 . 1 1 34 34 THR N N 15 111.18 0.05 . 1 . . . . 34 THR N . 15594 1 144 . 1 1 35 35 GLU H H 1 8.81 0.05 . 1 . . . . 35 GLU HN . 15594 1 145 . 1 1 35 35 GLU HA H 1 4.47 0.05 . 1 . . . . 35 GLU HA . 15594 1 146 . 1 1 35 35 GLU C C 13 175.43 0.05 . 1 . . . . 35 GLU C . 15594 1 147 . 1 1 35 35 GLU CA C 13 56.17 0.05 . 1 . . . . 35 GLU CA . 15594 1 148 . 1 1 35 35 GLU CB C 13 30.90 0.05 . 1 . . . . 35 GLU CB . 15594 1 149 . 1 1 35 35 GLU N N 15 116.41 0.05 . 1 . . . . 35 GLU N . 15594 1 150 . 1 1 36 36 PHE H H 1 8.23 0.05 . 1 . . . . 36 PHE HN . 15594 1 151 . 1 1 36 36 PHE HA H 1 5.50 0.05 . 1 . . . . 36 PHE HA . 15594 1 152 . 1 1 36 36 PHE N N 15 115.09 0.05 . 1 . . . . 36 PHE N . 15594 1 153 . 1 1 37 37 PRO C C 13 178.14 0.05 . 1 . . . . 37 PRO C . 15594 1 154 . 1 1 37 37 PRO CA C 13 64.94 0.05 . 1 . . . . 37 PRO CA . 15594 1 155 . 1 1 37 37 PRO CB C 13 31.60 0.05 . 1 . . . . 37 PRO CB . 15594 1 156 . 1 1 38 38 SER H H 1 8.66 0.05 . 1 . . . . 38 SER HN . 15594 1 157 . 1 1 38 38 SER HA H 1 4.50 0.05 . 1 . . . . 38 SER HA . 15594 1 158 . 1 1 38 38 SER C C 13 174.83 0.05 . 1 . . . . 38 SER C . 15594 1 159 . 1 1 38 38 SER CA C 13 59.97 0.05 . 1 . . . . 38 SER CA . 15594 1 160 . 1 1 38 38 SER CB C 13 62.69 0.05 . 1 . . . . 38 SER CB . 15594 1 161 . 1 1 38 38 SER N N 15 114.03 0.05 . 1 . . . . 38 SER N . 15594 1 162 . 1 1 39 39 LEU H H 1 8.26 0.05 . 1 . . . . 39 LEU HN . 15594 1 163 . 1 1 39 39 LEU HA H 1 4.52 0.05 . 1 . . . . 39 LEU HA . 15594 1 164 . 1 1 39 39 LEU C C 13 176.78 0.05 . 1 . . . . 39 LEU C . 15594 1 165 . 1 1 39 39 LEU CA C 13 56.60 0.05 . 1 . . . . 39 LEU CA . 15594 1 166 . 1 1 39 39 LEU CB C 13 42.61 0.05 . 1 . . . . 39 LEU CB . 15594 1 167 . 1 1 39 39 LEU N N 15 122.65 0.05 . 1 . . . . 39 LEU N . 15594 1 168 . 1 1 40 40 LEU H H 1 8.07 0.05 . 1 . . . . 40 LEU HN . 15594 1 169 . 1 1 40 40 LEU HA H 1 4.83 0.05 . 1 . . . . 40 LEU HA . 15594 1 170 . 1 1 40 40 LEU C C 13 175.69 0.05 . 1 . . . . 40 LEU C . 15594 1 171 . 1 1 40 40 LEU CA C 13 54.51 0.05 . 1 . . . . 40 LEU CA . 15594 1 172 . 1 1 40 40 LEU CB C 13 42.02 0.05 . 1 . . . . 40 LEU CB . 15594 1 173 . 1 1 40 40 LEU N N 15 117.39 0.05 . 1 . . . . 40 LEU N . 15594 1 174 . 1 1 41 41 LYS H H 1 7.77 0.05 . 1 . . . . 41 LYS HN . 15594 1 175 . 1 1 41 41 LYS HA H 1 4.61 0.05 . 1 . . . . 41 LYS HA . 15594 1 176 . 1 1 41 41 LYS C C 13 175.38 0.05 . 1 . . . . 41 LYS C . 15594 1 177 . 1 1 41 41 LYS CA C 13 56.17 0.05 . 1 . . . . 41 LYS CA . 15594 1 178 . 1 1 41 41 LYS CB C 13 32.95 0.05 . 1 . . . . 41 LYS CB . 15594 1 179 . 1 1 41 41 LYS N N 15 120.53 0.05 . 1 . . . . 41 LYS N . 15594 1 180 . 1 1 42 42 GLY H H 1 8.39 0.05 . 1 . . . . 42 GLY HN . 15594 1 181 . 1 1 42 42 GLY HA2 H 1 4.28 0.05 . 1 . . . . 42 GLY HA . 15594 1 182 . 1 1 42 42 GLY HA3 H 1 4.28 0.05 . 1 . . . . 42 GLY HA . 15594 1 183 . 1 1 42 42 GLY C C 13 177.19 0.05 . 1 . . . . 42 GLY C . 15594 1 184 . 1 1 42 42 GLY N N 15 109.28 0.05 . 1 . . . . 42 GLY N . 15594 1 185 . 1 1 43 43 MET H H 1 9.02 0.05 . 1 . . . . 43 MET HN . 15594 1 186 . 1 1 43 43 MET C C 13 175.52 0.05 . 1 . . . . 43 MET C . 15594 1 187 . 1 1 43 43 MET N N 15 121.11 0.05 . 1 . . . . 43 MET N . 15594 1 188 . 1 1 44 44 SER H H 1 8.70 0.05 . 1 . . . . 44 SER HN . 15594 1 189 . 1 1 44 44 SER C C 13 173.54 0.05 . 1 . . . . 44 SER C . 15594 1 190 . 1 1 44 44 SER N N 15 116.19 0.05 . 1 . . . . 44 SER N . 15594 1 191 . 1 1 45 45 THR H H 1 8.44 0.05 . 1 . . . . 45 THR HN . 15594 1 192 . 1 1 45 45 THR C C 13 174.30 0.05 . 1 . . . . 45 THR C . 15594 1 193 . 1 1 45 45 THR N N 15 113.74 0.05 . 1 . . . . 45 THR N . 15594 1 194 . 1 1 46 46 LEU H H 1 9.38 0.05 . 1 . . . . 46 LEU HN . 15594 1 195 . 1 1 46 46 LEU C C 13 177.76 0.05 . 1 . . . . 46 LEU C . 15594 1 196 . 1 1 46 46 LEU N N 15 123.97 0.05 . 1 . . . . 46 LEU N . 15594 1 197 . 1 1 47 47 ASP H H 1 8.99 0.05 . 1 . . . . 47 ASP HN . 15594 1 198 . 1 1 47 47 ASP N N 15 118.62 0.05 . 1 . . . . 47 ASP N . 15594 1 199 . 1 1 49 49 LEU H H 1 9.74 0.05 . 1 . . . . 49 LEU HN . 15594 1 200 . 1 1 49 49 LEU N N 15 123.88 0.05 . 1 . . . . 49 LEU N . 15594 1 201 . 1 1 50 50 PHE H H 1 10.73 0.05 . 1 . . . . 50 PHE HN . 15594 1 202 . 1 1 50 50 PHE N N 15 121.38 0.05 . 1 . . . . 50 PHE N . 15594 1 203 . 1 1 51 51 GLU H H 1 7.86 0.05 . 1 . . . . 51 GLU HN . 15594 1 204 . 1 1 51 51 GLU HA H 1 3.53 0.05 . 1 . . . . 51 GLU HA . 15594 1 205 . 1 1 51 51 GLU N N 15 114.87 0.05 . 1 . . . . 51 GLU N . 15594 1 206 . 1 1 66 66 PHE CA C 13 58.85 0.05 . 1 . . . . 66 PHE CA . 15594 1 207 . 1 1 67 67 GLN H H 1 5.67 0.05 . 1 . . . . 67 GLN HN . 15594 1 208 . 1 1 67 67 GLN C C 13 174.81 0.05 . 1 . . . . 67 GLN C . 15594 1 209 . 1 1 67 67 GLN CA C 13 56.34 0.05 . 1 . . . . 67 GLN CA . 15594 1 210 . 1 1 67 67 GLN N N 15 114.05 0.05 . 1 . . . . 67 GLN N . 15594 1 211 . 1 1 68 68 VAL H H 1 5.76 0.05 . 1 . . . . 68 VAL HN . 15594 1 212 . 1 1 68 68 VAL C C 13 175.77 0.05 . 1 . . . . 68 VAL C . 15594 1 213 . 1 1 68 68 VAL CA C 13 63.99 0.05 . 1 . . . . 68 VAL CA . 15594 1 214 . 1 1 68 68 VAL CB C 13 31.31 0.05 . 1 . . . . 68 VAL CB . 15594 1 215 . 1 1 68 68 VAL N N 15 116.28 0.05 . 1 . . . . 68 VAL N . 15594 1 216 . 1 1 69 69 LEU H H 1 7.15 0.05 . 1 . . . . 69 LEU HN . 15594 1 217 . 1 1 69 69 LEU HA H 1 4.04 0.05 . 1 . . . . 69 LEU HA . 15594 1 218 . 1 1 69 69 LEU C C 13 176.21 0.05 . 1 . . . . 69 LEU C . 15594 1 219 . 1 1 69 69 LEU CA C 13 56.27 0.05 . 1 . . . . 69 LEU CA . 15594 1 220 . 1 1 69 69 LEU CB C 13 42.01 0.05 . 1 . . . . 69 LEU CB . 15594 1 221 . 1 1 69 69 LEU N N 15 120.35 0.05 . 1 . . . . 69 LEU N . 15594 1 222 . 1 1 70 70 VAL H H 1 6.81 0.05 . 1 . . . . 70 VAL HN . 15594 1 223 . 1 1 70 70 VAL HA H 1 3.17 0.05 . 1 . . . . 70 VAL HA . 15594 1 224 . 1 1 70 70 VAL C C 13 175.76 0.05 . 1 . . . . 70 VAL C . 15594 1 225 . 1 1 70 70 VAL CA C 13 65.11 0.05 . 1 . . . . 70 VAL CA . 15594 1 226 . 1 1 70 70 VAL CB C 13 31.19 0.05 . 1 . . . . 70 VAL CB . 15594 1 227 . 1 1 70 70 VAL N N 15 115.79 0.05 . 1 . . . . 70 VAL N . 15594 1 228 . 1 1 71 71 LYS H H 1 7.19 0.05 . 1 . . . . 71 LYS HN . 15594 1 229 . 1 1 71 71 LYS HA H 1 3.88 0.05 . 1 . . . . 71 LYS HA . 15594 1 230 . 1 1 71 71 LYS C C 13 176.10 0.05 . 1 . . . . 71 LYS C . 15594 1 231 . 1 1 71 71 LYS CA C 13 57.68 0.05 . 1 . . . . 71 LYS CA . 15594 1 232 . 1 1 71 71 LYS CB C 13 31.93 0.05 . 1 . . . . 71 LYS CB . 15594 1 233 . 1 1 71 71 LYS N N 15 117.82 0.05 . 1 . . . . 71 LYS N . 15594 1 234 . 1 1 72 72 LYS H H 1 7.45 0.05 . 1 . . . . 72 LYS HN . 15594 1 235 . 1 1 72 72 LYS HA H 1 4.18 0.05 . 1 . . . . 72 LYS HA . 15594 1 236 . 1 1 72 72 LYS C C 13 176.18 0.05 . 1 . . . . 72 LYS C . 15594 1 237 . 1 1 72 72 LYS CA C 13 56.95 0.05 . 1 . . . . 72 LYS CA . 15594 1 238 . 1 1 72 72 LYS CB C 13 33.61 0.05 . 1 . . . . 72 LYS CB . 15594 1 239 . 1 1 72 72 LYS N N 15 116.93 0.05 . 1 . . . . 72 LYS N . 15594 1 240 . 1 1 73 73 ILE H H 1 7.44 0.05 . 1 . . . . 73 ILE HN . 15594 1 241 . 1 1 73 73 ILE HA H 1 4.18 0.05 . 1 . . . . 73 ILE HA . 15594 1 242 . 1 1 73 73 ILE C C 13 174.44 0.05 . 1 . . . . 73 ILE C . 15594 1 243 . 1 1 73 73 ILE CA C 13 61.51 0.05 . 1 . . . . 73 ILE CA . 15594 1 244 . 1 1 73 73 ILE CB C 13 38.61 0.05 . 1 . . . . 73 ILE CB . 15594 1 245 . 1 1 73 73 ILE N N 15 114.56 0.05 . 1 . . . . 73 ILE N . 15594 1 246 . 1 1 74 74 SER H H 1 7.79 0.05 . 1 . . . . 74 SER HN . 15594 1 247 . 1 1 74 74 SER HA H 1 4.52 0.05 . 1 . . . . 74 SER HA . 15594 1 248 . 1 1 74 74 SER C C 13 171.58 0.05 . 1 . . . . 74 SER C . 15594 1 249 . 1 1 74 74 SER CA C 13 57.96 0.05 . 1 . . . . 74 SER CA . 15594 1 250 . 1 1 74 74 SER CB C 13 63.82 0.05 . 1 . . . . 74 SER CB . 15594 1 251 . 1 1 74 74 SER N N 15 117.31 0.05 . 1 . . . . 74 SER N . 15594 1 252 . 1 1 75 75 GLN H H 1 7.63 0.05 . 1 . . . . 75 GLN HN . 15594 1 253 . 1 1 75 75 GLN HA H 1 4.09 0.05 . 1 . . . . 75 GLN HA . 15594 1 254 . 1 1 75 75 GLN N N 15 126.19 0.05 . 1 . . . . 75 GLN N . 15594 1 stop_ save_