################################### # 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 25079 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 25079 1 3 '3D HNCA' . . . 25079 1 4 '3D HNCACB' . . . 25079 1 5 '3D HBHA(CO)NH' . . . 25079 1 7 '3D HNCO' . . . 25079 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 2 2 SER CB C 13 63.463 0.200 . 1 . . . A 2 SER CB . 25079 1 2 . 1 1 4 4 PRO HA H 1 4.442 0.020 . 1 . . . A 4 PRO HA . 25079 1 3 . 1 1 4 4 PRO HB2 H 1 1.910 0.020 . 2 . . . A 4 PRO HB2 . 25079 1 4 . 1 1 4 4 PRO HD3 H 1 3.799 0.020 . 2 . . . A 4 PRO HD3 . 25079 1 5 . 1 1 4 4 PRO CA C 13 63.352 0.200 . 1 . . . A 4 PRO CA . 25079 1 6 . 1 1 4 4 PRO CB C 13 31.915 0.200 . 1 . . . A 4 PRO CB . 25079 1 7 . 1 1 5 5 VAL H H 1 8.193 0.020 . 1 . . . A 5 VAL H . 25079 1 8 . 1 1 5 5 VAL HA H 1 4.065 0.020 . 1 . . . A 5 VAL HA . 25079 1 9 . 1 1 5 5 VAL HB H 1 2.083 0.020 . 1 . . . A 5 VAL HB . 25079 1 10 . 1 1 5 5 VAL CA C 13 62.546 0.200 . 1 . . . A 5 VAL CA . 25079 1 11 . 1 1 5 5 VAL CB C 13 32.452 0.200 . 1 . . . A 5 VAL CB . 25079 1 12 . 1 1 5 5 VAL N N 15 119.530 0.100 . 1 . . . A 5 VAL N . 25079 1 13 . 1 1 6 6 SER H H 1 8.246 0.020 . 1 . . . A 6 SER H . 25079 1 14 . 1 1 6 6 SER HA H 1 4.474 0.020 . 1 . . . A 6 SER HA . 25079 1 15 . 1 1 6 6 SER CA C 13 58.259 0.200 . 1 . . . A 6 SER CA . 25079 1 16 . 1 1 6 6 SER CB C 13 64.180 0.200 . 1 . . . A 6 SER CB . 25079 1 17 . 1 1 6 6 SER N N 15 118.536 0.100 . 1 . . . A 6 SER N . 25079 1 18 . 1 1 7 7 LEU H H 1 8.428 0.020 . 1 . . . A 7 LEU H . 25079 1 19 . 1 1 7 7 LEU HA H 1 4.268 0.020 . 1 . . . A 7 LEU HA . 25079 1 20 . 1 1 7 7 LEU HD11 H 1 0.933 0.020 . 2 . . . A 7 LEU HD11 . 25079 1 21 . 1 1 7 7 LEU HD12 H 1 0.933 0.020 . 2 . . . A 7 LEU HD12 . 25079 1 22 . 1 1 7 7 LEU HD13 H 1 0.933 0.020 . 2 . . . A 7 LEU HD13 . 25079 1 23 . 1 1 7 7 LEU CA C 13 55.879 0.200 . 1 . . . A 7 LEU CA . 25079 1 24 . 1 1 7 7 LEU CB C 13 42.888 0.200 . 1 . . . A 7 LEU CB . 25079 1 25 . 1 1 7 7 LEU N N 15 124.072 0.100 . 1 . . . A 7 LEU N . 25079 1 26 . 1 1 8 8 LEU H H 1 7.911 0.020 . 1 . . . A 8 LEU H . 25079 1 27 . 1 1 8 8 LEU HA H 1 4.384 0.020 . 1 . . . A 8 LEU HA . 25079 1 28 . 1 1 8 8 LEU HD11 H 1 0.913 0.020 . 2 . . . A 8 LEU HD11 . 25079 1 29 . 1 1 8 8 LEU HD12 H 1 0.913 0.020 . 2 . . . A 8 LEU HD12 . 25079 1 30 . 1 1 8 8 LEU HD13 H 1 0.913 0.020 . 2 . . . A 8 LEU HD13 . 25079 1 31 . 1 1 8 8 LEU CA C 13 54.808 0.200 . 1 . . . A 8 LEU CA . 25079 1 32 . 1 1 8 8 LEU CB C 13 42.968 0.200 . 1 . . . A 8 LEU CB . 25079 1 33 . 1 1 8 8 LEU N N 15 118.780 0.100 . 1 . . . A 8 LEU N . 25079 1 34 . 1 1 9 9 THR H H 1 8.030 0.020 . 1 . . . A 9 THR H . 25079 1 35 . 1 1 9 9 THR CA C 13 59.552 0.200 . 1 . . . A 9 THR CA . 25079 1 36 . 1 1 9 9 THR CB C 13 69.588 0.200 . 1 . . . A 9 THR CB . 25079 1 37 . 1 1 9 9 THR N N 15 114.528 0.100 . 1 . . . A 9 THR N . 25079 1 38 . 1 1 10 10 PRO HA H 1 4.369 0.020 . 1 . . . A 10 PRO HA . 25079 1 39 . 1 1 10 10 PRO HB2 H 1 2.000 0.020 . 2 . . . A 10 PRO HB2 . 25079 1 40 . 1 1 10 10 PRO HD3 H 1 3.837 0.020 . 2 . . . A 10 PRO HD3 . 25079 1 41 . 1 1 10 10 PRO CA C 13 64.206 0.200 . 1 . . . A 10 PRO CA . 25079 1 42 . 1 1 10 10 PRO CB C 13 31.927 0.200 . 1 . . . A 10 PRO CB . 25079 1 43 . 1 1 11 11 SER H H 1 8.217 0.020 . 1 . . . A 11 SER H . 25079 1 44 . 1 1 11 11 SER HA H 1 4.293 0.020 . 1 . . . A 11 SER HA . 25079 1 45 . 1 1 11 11 SER CA C 13 59.677 0.200 . 1 . . . A 11 SER CA . 25079 1 46 . 1 1 11 11 SER CB C 13 63.851 0.200 . 1 . . . A 11 SER CB . 25079 1 47 . 1 1 11 11 SER N N 15 113.430 0.100 . 1 . . . A 11 SER N . 25079 1 48 . 1 1 12 12 ASP H H 1 8.122 0.020 . 1 . . . A 12 ASP H . 25079 1 49 . 1 1 12 12 ASP HA H 1 4.626 0.020 . 1 . . . A 12 ASP HA . 25079 1 50 . 1 1 12 12 ASP CA C 13 54.709 0.200 . 1 . . . A 12 ASP CA . 25079 1 51 . 1 1 12 12 ASP CB C 13 41.453 0.200 . 1 . . . A 12 ASP CB . 25079 1 52 . 1 1 12 12 ASP N N 15 120.212 0.100 . 1 . . . A 12 ASP N . 25079 1 53 . 1 1 13 13 LEU H H 1 7.719 0.020 . 1 . . . A 13 LEU H . 25079 1 54 . 1 1 13 13 LEU HA H 1 4.336 0.020 . 1 . . . A 13 LEU HA . 25079 1 55 . 1 1 13 13 LEU HB3 H 1 1.471 0.020 . 2 . . . A 13 LEU HB3 . 25079 1 56 . 1 1 13 13 LEU HD11 H 1 0.922 0.020 . 2 . . . A 13 LEU HD11 . 25079 1 57 . 1 1 13 13 LEU HD12 H 1 0.922 0.020 . 2 . . . A 13 LEU HD12 . 25079 1 58 . 1 1 13 13 LEU HD13 H 1 0.922 0.020 . 2 . . . A 13 LEU HD13 . 25079 1 59 . 1 1 13 13 LEU CA C 13 54.588 0.200 . 1 . . . A 13 LEU CA . 25079 1 60 . 1 1 13 13 LEU CB C 13 43.298 0.200 . 1 . . . A 13 LEU CB . 25079 1 61 . 1 1 13 13 LEU N N 15 120.144 0.100 . 1 . . . A 13 LEU N . 25079 1 62 . 1 1 14 14 ASP H H 1 8.289 0.020 . 1 . . . A 14 ASP H . 25079 1 63 . 1 1 14 14 ASP CA C 13 53.538 0.200 . 1 . . . A 14 ASP CA . 25079 1 64 . 1 1 14 14 ASP CB C 13 43.171 0.200 . 1 . . . A 14 ASP CB . 25079 1 65 . 1 1 14 14 ASP N N 15 123.659 0.100 . 1 . . . A 14 ASP N . 25079 1 66 . 1 1 15 15 PRO HA H 1 4.252 0.020 . 1 . . . A 15 PRO HA . 25079 1 67 . 1 1 15 15 PRO HB2 H 1 1.941 0.020 . 2 . . . A 15 PRO HB2 . 25079 1 68 . 1 1 15 15 PRO CA C 13 65.531 0.200 . 1 . . . A 15 PRO CA . 25079 1 69 . 1 1 15 15 PRO CB C 13 32.324 0.200 . 1 . . . A 15 PRO CB . 25079 1 70 . 1 1 16 16 LEU H H 1 8.639 0.020 . 1 . . . A 16 LEU H . 25079 1 71 . 1 1 16 16 LEU HA H 1 4.175 0.020 . 1 . . . A 16 LEU HA . 25079 1 72 . 1 1 16 16 LEU HD11 H 1 0.981 0.020 . 2 . . . A 16 LEU HD11 . 25079 1 73 . 1 1 16 16 LEU HD12 H 1 0.981 0.020 . 2 . . . A 16 LEU HD12 . 25079 1 74 . 1 1 16 16 LEU HD13 H 1 0.981 0.020 . 2 . . . A 16 LEU HD13 . 25079 1 75 . 1 1 16 16 LEU CA C 13 58.452 0.200 . 1 . . . A 16 LEU CA . 25079 1 76 . 1 1 16 16 LEU CB C 13 41.335 0.200 . 1 . . . A 16 LEU CB . 25079 1 77 . 1 1 16 16 LEU N N 15 120.965 0.100 . 1 . . . A 16 LEU N . 25079 1 78 . 1 1 17 17 ILE H H 1 7.831 0.020 . 1 . . . A 17 ILE H . 25079 1 79 . 1 1 17 17 ILE HA H 1 3.706 0.020 . 1 . . . A 17 ILE HA . 25079 1 80 . 1 1 17 17 ILE HB H 1 2.104 0.020 . 1 . . . A 17 ILE HB . 25079 1 81 . 1 1 17 17 ILE HD11 H 1 0.959 0.020 . 2 . . . A 17 ILE HD11 . 25079 1 82 . 1 1 17 17 ILE HD12 H 1 0.959 0.020 . 2 . . . A 17 ILE HD12 . 25079 1 83 . 1 1 17 17 ILE HD13 H 1 0.959 0.020 . 2 . . . A 17 ILE HD13 . 25079 1 84 . 1 1 17 17 ILE CA C 13 64.333 0.200 . 1 . . . A 17 ILE CA . 25079 1 85 . 1 1 17 17 ILE CB C 13 36.708 0.200 . 1 . . . A 17 ILE CB . 25079 1 86 . 1 1 17 17 ILE N N 15 118.865 0.100 . 1 . . . A 17 ILE N . 25079 1 87 . 1 1 18 18 LEU H H 1 8.229 0.020 . 1 . . . A 18 LEU H . 25079 1 88 . 1 1 18 18 LEU HA H 1 4.003 0.020 . 1 . . . A 18 LEU HA . 25079 1 89 . 1 1 18 18 LEU HD11 H 1 0.947 0.020 . 2 . . . A 18 LEU HD11 . 25079 1 90 . 1 1 18 18 LEU HD12 H 1 0.947 0.020 . 2 . . . A 18 LEU HD12 . 25079 1 91 . 1 1 18 18 LEU HD13 H 1 0.947 0.020 . 2 . . . A 18 LEU HD13 . 25079 1 92 . 1 1 18 18 LEU CA C 13 58.669 0.200 . 1 . . . A 18 LEU CA . 25079 1 93 . 1 1 18 18 LEU CB C 13 41.728 0.200 . 1 . . . A 18 LEU CB . 25079 1 94 . 1 1 18 18 LEU N N 15 121.654 0.100 . 1 . . . A 18 LEU N . 25079 1 95 . 1 1 19 19 THR H H 1 7.951 0.020 . 1 . . . A 19 THR H . 25079 1 96 . 1 1 19 19 THR HA H 1 4.252 0.020 . 1 . . . A 19 THR HA . 25079 1 97 . 1 1 19 19 THR CA C 13 68.380 0.200 . 1 . . . A 19 THR CA . 25079 1 98 . 1 1 19 19 THR CB C 13 67.094 0.200 . 1 . . . A 19 THR CB . 25079 1 99 . 1 1 19 19 THR N N 15 115.361 0.100 . 1 . . . A 19 THR N . 25079 1 100 . 1 1 20 20 LEU H H 1 8.334 0.020 . 1 . . . A 20 LEU H . 25079 1 101 . 1 1 20 20 LEU HA H 1 3.962 0.020 . 1 . . . A 20 LEU HA . 25079 1 102 . 1 1 20 20 LEU HB3 H 1 1.517 0.020 . 2 . . . A 20 LEU HB3 . 25079 1 103 . 1 1 20 20 LEU HD11 H 1 0.884 0.020 . 2 . . . A 20 LEU HD11 . 25079 1 104 . 1 1 20 20 LEU HD12 H 1 0.884 0.020 . 2 . . . A 20 LEU HD12 . 25079 1 105 . 1 1 20 20 LEU HD13 H 1 0.884 0.020 . 2 . . . A 20 LEU HD13 . 25079 1 106 . 1 1 20 20 LEU CA C 13 58.313 0.200 . 1 . . . A 20 LEU CA . 25079 1 107 . 1 1 20 20 LEU CB C 13 41.808 0.200 . 1 . . . A 20 LEU CB . 25079 1 108 . 1 1 20 20 LEU N N 15 119.190 0.100 . 1 . . . A 20 LEU N . 25079 1 109 . 1 1 21 21 SER H H 1 8.195 0.020 . 1 . . . A 21 SER H . 25079 1 110 . 1 1 21 21 SER HA H 1 4.027 0.020 . 1 . . . A 21 SER HA . 25079 1 111 . 1 1 21 21 SER CA C 13 63.605 0.200 . 1 . . . A 21 SER CA . 25079 1 112 . 1 1 21 21 SER CB C 13 63.022 0.200 . 1 . . . A 21 SER CB . 25079 1 113 . 1 1 21 21 SER N N 15 114.597 0.100 . 1 . . . A 21 SER N . 25079 1 114 . 1 1 22 22 LEU H H 1 7.881 0.020 . 1 . . . A 22 LEU H . 25079 1 115 . 1 1 22 22 LEU HA H 1 3.996 0.020 . 1 . . . A 22 LEU HA . 25079 1 116 . 1 1 22 22 LEU HB3 H 1 1.614 0.020 . 2 . . . A 22 LEU HB3 . 25079 1 117 . 1 1 22 22 LEU CA C 13 58.134 0.200 . 1 . . . A 22 LEU CA . 25079 1 118 . 1 1 22 22 LEU CB C 13 41.602 0.200 . 1 . . . A 22 LEU CB . 25079 1 119 . 1 1 22 22 LEU N N 15 120.987 0.100 . 1 . . . A 22 LEU N . 25079 1 120 . 1 1 23 23 ILE H H 1 7.987 0.020 . 1 . . . A 23 ILE H . 25079 1 121 . 1 1 23 23 ILE HA H 1 3.480 0.020 . 1 . . . A 23 ILE HA . 25079 1 122 . 1 1 23 23 ILE HB H 1 2.017 0.020 . 1 . . . A 23 ILE HB . 25079 1 123 . 1 1 23 23 ILE CA C 13 65.768 0.200 . 1 . . . A 23 ILE CA . 25079 1 124 . 1 1 23 23 ILE CB C 13 37.263 0.200 . 1 . . . A 23 ILE CB . 25079 1 125 . 1 1 23 23 ILE N N 15 118.022 0.100 . 1 . . . A 23 ILE N . 25079 1 126 . 1 1 24 24 LEU H H 1 8.174 0.020 . 1 . . . A 24 LEU H . 25079 1 127 . 1 1 24 24 LEU HA H 1 3.925 0.020 . 1 . . . A 24 LEU HA . 25079 1 128 . 1 1 24 24 LEU HD11 H 1 0.852 0.020 . 2 . . . A 24 LEU HD11 . 25079 1 129 . 1 1 24 24 LEU HD12 H 1 0.852 0.020 . 2 . . . A 24 LEU HD12 . 25079 1 130 . 1 1 24 24 LEU HD13 H 1 0.852 0.020 . 2 . . . A 24 LEU HD13 . 25079 1 131 . 1 1 24 24 LEU CA C 13 58.586 0.200 . 1 . . . A 24 LEU CA . 25079 1 132 . 1 1 24 24 LEU CB C 13 41.621 0.200 . 1 . . . A 24 LEU CB . 25079 1 133 . 1 1 24 24 LEU N N 15 118.701 0.100 . 1 . . . A 24 LEU N . 25079 1 134 . 1 1 25 25 VAL H H 1 8.118 0.020 . 1 . . . A 25 VAL H . 25079 1 135 . 1 1 25 25 VAL HA H 1 4.427 0.020 . 1 . . . A 25 VAL HA . 25079 1 136 . 1 1 25 25 VAL HB H 1 2.273 0.020 . 1 . . . A 25 VAL HB . 25079 1 137 . 1 1 25 25 VAL CA C 13 67.708 0.200 . 1 . . . A 25 VAL CA . 25079 1 138 . 1 1 25 25 VAL CB C 13 31.539 0.200 . 1 . . . A 25 VAL CB . 25079 1 139 . 1 1 25 25 VAL N N 15 117.708 0.100 . 1 . . . A 25 VAL N . 25079 1 140 . 1 1 26 26 VAL H H 1 8.140 0.020 . 1 . . . A 26 VAL H . 25079 1 141 . 1 1 26 26 VAL HA H 1 3.373 0.020 . 1 . . . A 26 VAL HA . 25079 1 142 . 1 1 26 26 VAL HB H 1 2.296 0.020 . 1 . . . A 26 VAL HB . 25079 1 143 . 1 1 26 26 VAL CA C 13 67.852 0.200 . 1 . . . A 26 VAL CA . 25079 1 144 . 1 1 26 26 VAL CB C 13 30.970 0.200 . 1 . . . A 26 VAL CB . 25079 1 145 . 1 1 26 26 VAL N N 15 118.872 0.100 . 1 . . . A 26 VAL N . 25079 1 146 . 1 1 27 27 ILE H H 1 8.336 0.020 . 1 . . . A 27 ILE H . 25079 1 147 . 1 1 27 27 ILE HA H 1 3.527 0.020 . 1 . . . A 27 ILE HA . 25079 1 148 . 1 1 27 27 ILE HD11 H 1 0.809 0.020 . 2 . . . A 27 ILE HD11 . 25079 1 149 . 1 1 27 27 ILE HD12 H 1 0.809 0.020 . 2 . . . A 27 ILE HD12 . 25079 1 150 . 1 1 27 27 ILE HD13 H 1 0.809 0.020 . 2 . . . A 27 ILE HD13 . 25079 1 151 . 1 1 27 27 ILE CA C 13 65.922 0.200 . 1 . . . A 27 ILE CA . 25079 1 152 . 1 1 27 27 ILE CB C 13 37.327 0.200 . 1 . . . A 27 ILE CB . 25079 1 153 . 1 1 27 27 ILE N N 15 118.715 0.100 . 1 . . . A 27 ILE N . 25079 1 154 . 1 1 28 28 LEU H H 1 8.494 0.020 . 1 . . . A 28 LEU H . 25079 1 155 . 1 1 28 28 LEU HA H 1 3.981 0.020 . 1 . . . A 28 LEU HA . 25079 1 156 . 1 1 28 28 LEU HB3 H 1 1.497 0.020 . 2 . . . A 28 LEU HB3 . 25079 1 157 . 1 1 28 28 LEU HD11 H 1 0.799 0.020 . 2 . . . A 28 LEU HD11 . 25079 1 158 . 1 1 28 28 LEU HD12 H 1 0.799 0.020 . 2 . . . A 28 LEU HD12 . 25079 1 159 . 1 1 28 28 LEU HD13 H 1 0.799 0.020 . 1 . . . A 28 LEU HD13 . 25079 1 160 . 1 1 28 28 LEU CA C 13 58.626 0.200 . 1 . . . A 28 LEU CA . 25079 1 161 . 1 1 28 28 LEU CB C 13 41.415 0.200 . 1 . . . A 28 LEU CB . 25079 1 162 . 1 1 28 28 LEU N N 15 119.343 0.100 . 1 . . . A 28 LEU N . 25079 1 163 . 1 1 29 29 VAL H H 1 8.696 0.020 . 1 . . . A 29 VAL H . 25079 1 164 . 1 1 29 29 VAL HA H 1 3.464 0.020 . 1 . . . A 29 VAL HA . 25079 1 165 . 1 1 29 29 VAL HB H 1 2.268 0.020 . 1 . . . A 29 VAL HB . 25079 1 166 . 1 1 29 29 VAL HG21 H 1 1.014 0.020 . 2 . . . A 29 VAL HG21 . 25079 1 167 . 1 1 29 29 VAL HG22 H 1 1.014 0.020 . 2 . . . A 29 VAL HG22 . 25079 1 168 . 1 1 29 29 VAL HG23 H 1 1.014 0.020 . 2 . . . A 29 VAL HG23 . 25079 1 169 . 1 1 29 29 VAL CA C 13 67.682 0.200 . 1 . . . A 29 VAL CA . 25079 1 170 . 1 1 29 29 VAL CB C 13 31.172 0.200 . 1 . . . A 29 VAL CB . 25079 1 171 . 1 1 29 29 VAL N N 15 121.451 0.100 . 1 . . . A 29 VAL N . 25079 1 172 . 1 1 30 30 LEU H H 1 8.534 0.020 . 1 . . . A 30 LEU H . 25079 1 173 . 1 1 30 30 LEU HA H 1 3.901 0.020 . 1 . . . A 30 LEU HA . 25079 1 174 . 1 1 30 30 LEU HB3 H 1 1.531 0.020 . 2 . . . A 30 LEU HB3 . 25079 1 175 . 1 1 30 30 LEU CA C 13 58.783 0.200 . 1 . . . A 30 LEU CA . 25079 1 176 . 1 1 30 30 LEU CB C 13 41.515 0.200 . 1 . . . A 30 LEU CB . 25079 1 177 . 1 1 30 30 LEU N N 15 119.811 0.100 . 1 . . . A 30 LEU N . 25079 1 178 . 1 1 31 31 LEU H H 1 8.770 0.020 . 1 . . . A 31 LEU H . 25079 1 179 . 1 1 31 31 LEU HA H 1 3.946 0.020 . 1 . . . A 31 LEU HA . 25079 1 180 . 1 1 31 31 LEU HB3 H 1 1.459 0.020 . 2 . . . A 31 LEU HB3 . 25079 1 181 . 1 1 31 31 LEU HD11 H 1 0.829 0.020 . 2 . . . A 31 LEU HD11 . 25079 1 182 . 1 1 31 31 LEU HD12 H 1 0.829 0.020 . 2 . . . A 31 LEU HD12 . 25079 1 183 . 1 1 31 31 LEU HD13 H 1 0.829 0.020 . 2 . . . A 31 LEU HD13 . 25079 1 184 . 1 1 31 31 LEU CA C 13 58.443 0.200 . 1 . . . A 31 LEU CA . 25079 1 185 . 1 1 31 31 LEU CB C 13 41.802 0.200 . 1 . . . A 31 LEU CB . 25079 1 186 . 1 1 31 31 LEU N N 15 117.365 0.100 . 1 . . . A 31 LEU N . 25079 1 187 . 1 1 32 32 THR H H 1 8.016 0.020 . 1 . . . A 32 THR H . 25079 1 188 . 1 1 32 32 THR HA H 1 4.311 0.020 . 1 . . . A 32 THR HA . 25079 1 189 . 1 1 32 32 THR HB H 1 3.688 0.020 . 1 . . . A 32 THR HB . 25079 1 190 . 1 1 32 32 THR HG21 H 1 1.124 0.020 . 2 . . . A 32 THR HG21 . 25079 1 191 . 1 1 32 32 THR HG22 H 1 1.124 0.020 . 2 . . . A 32 THR HG22 . 25079 1 192 . 1 1 32 32 THR HG23 H 1 1.124 0.020 . 2 . . . A 32 THR HG23 . 25079 1 193 . 1 1 32 32 THR CA C 13 68.534 0.200 . 1 . . . A 32 THR CA . 25079 1 194 . 1 1 32 32 THR CB C 13 67.727 0.200 . 1 . . . A 32 THR CB . 25079 1 195 . 1 1 32 32 THR N N 15 116.494 0.100 . 1 . . . A 32 THR N . 25079 1 196 . 1 1 33 33 VAL H H 1 8.430 0.020 . 1 . . . A 33 VAL H . 25079 1 197 . 1 1 33 33 VAL HA H 1 3.499 0.020 . 1 . . . A 33 VAL HA . 25079 1 198 . 1 1 33 33 VAL HB H 1 2.300 0.020 . 1 . . . A 33 VAL HB . 25079 1 199 . 1 1 33 33 VAL HG21 H 1 1.541 0.020 . 2 . . . A 33 VAL HG21 . 25079 1 200 . 1 1 33 33 VAL HG22 H 1 1.541 0.020 . 2 . . . A 33 VAL HG22 . 25079 1 201 . 1 1 33 33 VAL HG23 H 1 1.541 0.020 . 2 . . . A 33 VAL HG23 . 25079 1 202 . 1 1 33 33 VAL CA C 13 67.605 0.200 . 1 . . . A 33 VAL CA . 25079 1 203 . 1 1 33 33 VAL CB C 13 31.468 0.200 . 1 . . . A 33 VAL CB . 25079 1 204 . 1 1 33 33 VAL N N 15 120.644 0.100 . 1 . . . A 33 VAL N . 25079 1 205 . 1 1 34 34 LEU H H 1 8.424 0.020 . 1 . . . A 34 LEU H . 25079 1 206 . 1 1 34 34 LEU HA H 1 3.994 0.020 . 1 . . . A 34 LEU HA . 25079 1 207 . 1 1 34 34 LEU HB3 H 1 1.566 0.020 . 2 . . . A 34 LEU HB3 . 25079 1 208 . 1 1 34 34 LEU HD11 H 1 0.894 0.020 . 2 . . . A 34 LEU HD11 . 25079 1 209 . 1 1 34 34 LEU HD12 H 1 0.894 0.020 . 2 . . . A 34 LEU HD12 . 25079 1 210 . 1 1 34 34 LEU HD13 H 1 0.894 0.020 . 2 . . . A 34 LEU HD13 . 25079 1 211 . 1 1 34 34 LEU CA C 13 58.433 0.200 . 1 . . . A 34 LEU CA . 25079 1 212 . 1 1 34 34 LEU CB C 13 41.543 0.200 . 1 . . . A 34 LEU CB . 25079 1 213 . 1 1 34 34 LEU N N 15 118.815 0.100 . 1 . . . A 34 LEU N . 25079 1 214 . 1 1 35 35 ALA H H 1 8.646 0.020 . 1 . . . A 35 ALA H . 25079 1 215 . 1 1 35 35 ALA HA H 1 3.993 0.020 . 1 . . . A 35 ALA HA . 25079 1 216 . 1 1 35 35 ALA CA C 13 55.704 0.200 . 1 . . . A 35 ALA CA . 25079 1 217 . 1 1 35 35 ALA CB C 13 18.446 0.200 . 1 . . . A 35 ALA CB . 25079 1 218 . 1 1 35 35 ALA N N 15 122.308 0.100 . 1 . . . A 35 ALA N . 25079 1 219 . 1 1 36 36 LEU H H 1 8.442 0.020 . 1 . . . A 36 LEU H . 25079 1 220 . 1 1 36 36 LEU HA H 1 4.058 0.020 . 1 . . . A 36 LEU HA . 25079 1 221 . 1 1 36 36 LEU HB3 H 1 1.481 0.020 . 2 . . . A 36 LEU HB3 . 25079 1 222 . 1 1 36 36 LEU HD11 H 1 0.892 0.020 . 2 . . . A 36 LEU HD11 . 25079 1 223 . 1 1 36 36 LEU HD12 H 1 0.892 0.020 . 2 . . . A 36 LEU HD12 . 25079 1 224 . 1 1 36 36 LEU HD13 H 1 0.892 0.020 . 2 . . . A 36 LEU HD13 . 25079 1 225 . 1 1 36 36 LEU CA C 13 58.078 0.200 . 1 . . . A 36 LEU CA . 25079 1 226 . 1 1 36 36 LEU CB C 13 42.030 0.200 . 1 . . . A 36 LEU CB . 25079 1 227 . 1 1 36 36 LEU N N 15 118.240 0.100 . 1 . . . A 36 LEU N . 25079 1 228 . 1 1 37 37 LEU H H 1 8.499 0.020 . 1 . . . A 37 LEU H . 25079 1 229 . 1 1 37 37 LEU HA H 1 4.088 0.020 . 1 . . . A 37 LEU HA . 25079 1 230 . 1 1 37 37 LEU HB3 H 1 1.549 0.020 . 2 . . . A 37 LEU HB3 . 25079 1 231 . 1 1 37 37 LEU HD11 H 1 0.933 0.020 . 2 . . . A 37 LEU HD11 . 25079 1 232 . 1 1 37 37 LEU HD12 H 1 0.933 0.020 . 2 . . . A 37 LEU HD12 . 25079 1 233 . 1 1 37 37 LEU HD13 H 1 0.933 0.020 . 2 . . . A 37 LEU HD13 . 25079 1 234 . 1 1 37 37 LEU CA C 13 57.666 0.200 . 1 . . . A 37 LEU CA . 25079 1 235 . 1 1 37 37 LEU CB C 13 42.103 0.200 . 1 . . . A 37 LEU CB . 25079 1 236 . 1 1 37 37 LEU N N 15 117.383 0.100 . 1 . . . A 37 LEU N . 25079 1 237 . 1 1 38 38 SER H H 1 8.155 0.020 . 1 . . . A 38 SER H . 25079 1 238 . 1 1 38 38 SER HA H 1 4.235 0.020 . 1 . . . A 38 SER HA . 25079 1 239 . 1 1 38 38 SER CA C 13 61.318 0.200 . 1 . . . A 38 SER CA . 25079 1 240 . 1 1 38 38 SER CB C 13 63.438 0.200 . 1 . . . A 38 SER CB . 25079 1 241 . 1 1 38 38 SER N N 15 113.837 0.100 . 1 . . . A 38 SER N . 25079 1 242 . 1 1 39 39 HIS H H 1 8.017 0.020 . 1 . . . A 39 HIS H . 25079 1 243 . 1 1 39 39 HIS HA H 1 4.777 0.020 . 1 . . . A 39 HIS HA . 25079 1 244 . 1 1 39 39 HIS HB3 H 1 2.993 0.020 . 1 . . . A 39 HIS HB3 . 25079 1 245 . 1 1 39 39 HIS CA C 13 57.311 0.200 . 1 . . . A 39 HIS CA . 25079 1 246 . 1 1 39 39 HIS CB C 13 30.793 0.200 . 1 . . . A 39 HIS CB . 25079 1 247 . 1 1 39 39 HIS N N 15 119.819 0.100 . 1 . . . A 39 HIS N . 25079 1 248 . 1 1 40 40 ARG H H 1 7.785 0.020 . 1 . . . A 40 ARG H . 25079 1 249 . 1 1 40 40 ARG CA C 13 58.769 0.200 . 1 . . . A 40 ARG CA . 25079 1 250 . 1 1 40 40 ARG N N 15 119.165 0.100 . 1 . . . A 40 ARG N . 25079 1 251 . 1 1 41 41 ARG H H 1 8.358 0.020 . 1 . . . A 41 ARG H . 25079 1 252 . 1 1 41 41 ARG HA H 1 4.116 0.020 . 1 . . . A 41 ARG HA . 25079 1 253 . 1 1 41 41 ARG CA C 13 58.911 0.200 . 1 . . . A 41 ARG CA . 25079 1 254 . 1 1 41 41 ARG CB C 13 29.575 0.200 . 1 . . . A 41 ARG CB . 25079 1 255 . 1 1 41 41 ARG N N 15 119.761 0.100 . 1 . . . A 41 ARG N . 25079 1 256 . 1 1 42 42 ALA H H 1 8.098 0.020 . 1 . . . A 42 ALA H . 25079 1 257 . 1 1 42 42 ALA HA H 1 4.204 0.020 . 1 . . . A 42 ALA HA . 25079 1 258 . 1 1 42 42 ALA CA C 13 54.191 0.200 . 1 . . . A 42 ALA CA . 25079 1 259 . 1 1 42 42 ALA CB C 13 18.529 0.200 . 1 . . . A 42 ALA CB . 25079 1 260 . 1 1 42 42 ALA N N 15 121.554 0.100 . 1 . . . A 42 ALA N . 25079 1 261 . 1 1 43 43 LEU H H 1 7.986 0.020 . 1 . . . A 43 LEU H . 25079 1 262 . 1 1 43 43 LEU HA H 1 4.061 0.020 . 1 . . . A 43 LEU HA . 25079 1 263 . 1 1 43 43 LEU HD11 H 1 0.965 0.020 . 2 . . . A 43 LEU HD11 . 25079 1 264 . 1 1 43 43 LEU HD12 H 1 0.965 0.020 . 2 . . . A 43 LEU HD12 . 25079 1 265 . 1 1 43 43 LEU HD13 H 1 0.965 0.020 . 2 . . . A 43 LEU HD13 . 25079 1 266 . 1 1 43 43 LEU CA C 13 57.311 0.200 . 1 . . . A 43 LEU CA . 25079 1 267 . 1 1 43 43 LEU CB C 13 42.485 0.200 . 1 . . . A 43 LEU CB . 25079 1 268 . 1 1 43 43 LEU N N 15 117.383 0.100 . 1 . . . A 43 LEU N . 25079 1 269 . 1 1 44 44 LYS H H 1 8.258 0.020 . 1 . . . A 44 LYS H . 25079 1 270 . 1 1 44 44 LYS HA H 1 4.043 0.020 . 1 . . . A 44 LYS HA . 25079 1 271 . 1 1 44 44 LYS CA C 13 59.902 0.200 . 1 . . . A 44 LYS CA . 25079 1 272 . 1 1 44 44 LYS CB C 13 32.630 0.200 . 1 . . . A 44 LYS CB . 25079 1 273 . 1 1 44 44 LYS N N 15 118.908 0.100 . 1 . . . A 44 LYS N . 25079 1 274 . 1 1 45 45 GLN H H 1 7.764 0.020 . 1 . . . A 45 GLN H . 25079 1 275 . 1 1 45 45 GLN HA H 1 4.122 0.020 . 1 . . . A 45 GLN HA . 25079 1 276 . 1 1 45 45 GLN CA C 13 57.393 0.200 . 1 . . . A 45 GLN CA . 25079 1 277 . 1 1 45 45 GLN CB C 13 28.647 0.200 . 1 . . . A 45 GLN CB . 25079 1 278 . 1 1 45 45 GLN N N 15 115.858 0.100 . 1 . . . A 45 GLN N . 25079 1 279 . 1 1 46 46 LYS H H 1 7.620 0.020 . 1 . . . A 46 LYS H . 25079 1 280 . 1 1 46 46 LYS HA H 1 4.177 0.020 . 1 . . . A 46 LYS HA . 25079 1 281 . 1 1 46 46 LYS HD3 H 1 1.900 0.020 . 2 . . . A 46 LYS HD3 . 25079 1 282 . 1 1 46 46 LYS CA C 13 57.133 0.200 . 1 . . . A 46 LYS CA . 25079 1 283 . 1 1 46 46 LYS CB C 13 33.007 0.200 . 1 . . . A 46 LYS CB . 25079 1 284 . 1 1 46 46 LYS N N 15 117.155 0.100 . 1 . . . A 46 LYS N . 25079 1 285 . 1 1 47 47 ILE H H 1 7.570 0.020 . 1 . . . A 47 ILE H . 25079 1 286 . 1 1 47 47 ILE HA H 1 3.747 0.020 . 1 . . . A 47 ILE HA . 25079 1 287 . 1 1 47 47 ILE HB H 1 1.391 0.020 . 1 . . . A 47 ILE HB . 25079 1 288 . 1 1 47 47 ILE HG21 H 1 0.081 0.020 . 2 . . . A 47 ILE HG21 . 25079 1 289 . 1 1 47 47 ILE HG22 H 1 0.081 0.020 . 2 . . . A 47 ILE HG22 . 25079 1 290 . 1 1 47 47 ILE HG23 H 1 0.081 0.020 . 2 . . . A 47 ILE HG23 . 25079 1 291 . 1 1 47 47 ILE HD11 H 1 0.650 0.020 . 2 . . . A 47 ILE HD11 . 25079 1 292 . 1 1 47 47 ILE HD12 H 1 0.650 0.020 . 2 . . . A 47 ILE HD12 . 25079 1 293 . 1 1 47 47 ILE HD13 H 1 0.650 0.020 . 2 . . . A 47 ILE HD13 . 25079 1 294 . 1 1 47 47 ILE CA C 13 62.689 0.200 . 1 . . . A 47 ILE CA . 25079 1 295 . 1 1 47 47 ILE CB C 13 38.674 0.200 . 1 . . . A 47 ILE CB . 25079 1 296 . 1 1 47 47 ILE N N 15 116.662 0.100 . 1 . . . A 47 ILE N . 25079 1 297 . 1 1 48 48 TRP H H 1 8.001 0.020 . 1 . . . A 48 TRP H . 25079 1 298 . 1 1 48 48 TRP HA H 1 4.996 0.020 . 1 . . . A 48 TRP HA . 25079 1 299 . 1 1 48 48 TRP HB3 H 1 3.400 0.020 . 2 . . . A 48 TRP HB3 . 25079 1 300 . 1 1 48 48 TRP CA C 13 55.593 0.200 . 1 . . . A 48 TRP CA . 25079 1 301 . 1 1 48 48 TRP CB C 13 28.793 0.200 . 1 . . . A 48 TRP CB . 25079 1 302 . 1 1 48 48 TRP N N 15 118.880 0.100 . 1 . . . A 48 TRP N . 25079 1 stop_ save_