################################### # 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 26054 _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 2 '2D DQF-COSY' . . . 26054 1 3 '2D 1H-1H NOESY' . . . 26054 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 LYS H H 1 8.4011 . . 1 . . . A 2 LYS H . 26054 1 2 . 1 1 2 2 LYS HA H 1 3.9711 . . 1 . . . A 2 LYS HA . 26054 1 3 . 1 1 2 2 LYS N N 15 123.0443 . . 1 . . . A 2 LYS N . 26054 1 4 . 1 1 3 3 LYS H H 1 8.2686 . . 1 . . . A 3 LYS H . 26054 1 5 . 1 1 3 3 LYS HA H 1 4.3323 . . 1 . . . A 3 LYS HA . 26054 1 6 . 1 1 3 3 LYS HD3 H 1 1.8139 . . 2 . . . A 3 LYS HD3 . 26054 1 7 . 1 1 3 3 LYS HE2 H 1 2.6096 . . 2 . . . A 3 LYS HE2 . 26054 1 8 . 1 1 3 3 LYS N N 15 118.8741 . . 1 . . . A 3 LYS N . 26054 1 9 . 1 1 4 4 LYS H H 1 8.3952 . . 1 . . . A 4 LYS H . 26054 1 10 . 1 1 4 4 LYS HA H 1 4.3494 . . 1 . . . A 4 LYS HA . 26054 1 11 . 1 1 4 4 LYS HB3 H 1 1.8231 . . 2 . . . A 4 LYS HB3 . 26054 1 12 . 1 1 4 4 LYS HG2 H 1 1.4097 . . 2 . . . A 4 LYS HG2 . 26054 1 13 . 1 1 4 4 LYS HG3 H 1 1.4906 . . 2 . . . A 4 LYS HG3 . 26054 1 14 . 1 1 4 4 LYS HD2 H 1 1.7595 . . 2 . . . A 4 LYS HD2 . 26054 1 15 . 1 1 4 4 LYS HE2 H 1 3.0175 . . 2 . . . A 4 LYS HE2 . 26054 1 16 . 1 1 4 4 LYS N N 15 124.0429 . . 1 . . . A 4 LYS N . 26054 1 17 . 1 1 5 5 CYS H H 1 7.9209 . . 1 . . . A 5 CYS H . 26054 1 18 . 1 1 5 5 CYS HA H 1 5.0471 . . 1 . . . A 5 CYS HA . 26054 1 19 . 1 1 5 5 CYS HB2 H 1 2.8741 . . 2 . . . A 5 CYS HB2 . 26054 1 20 . 1 1 5 5 CYS HB3 H 1 3.0129 . . 2 . . . A 5 CYS HB3 . 26054 1 21 . 1 1 5 5 CYS N N 15 115.2514 . . 1 . . . A 5 CYS N . 26054 1 22 . 1 1 6 6 ILE H H 1 9.2111 . . 1 . . . A 6 ILE H . 26054 1 23 . 1 1 6 6 ILE HA H 1 4.7626 . . 1 . . . A 6 ILE HA . 26054 1 24 . 1 1 6 6 ILE HB H 1 2.0917 . . 1 . . . A 6 ILE HB . 26054 1 25 . 1 1 6 6 ILE HG12 H 1 1.3044 . . 2 . . . A 6 ILE HG12 . 26054 1 26 . 1 1 6 6 ILE HG13 H 1 1.3017 . . 2 . . . A 6 ILE HG13 . 26054 1 27 . 1 1 6 6 ILE HG21 H 1 1.1323 . . 1 . . . A 6 ILE HG21 . 26054 1 28 . 1 1 6 6 ILE HG22 H 1 1.1323 . . 1 . . . A 6 ILE HG22 . 26054 1 29 . 1 1 6 6 ILE HG23 H 1 1.1323 . . 1 . . . A 6 ILE HG23 . 26054 1 30 . 1 1 6 6 ILE HD11 H 1 0.9023 . . 1 . . . A 6 ILE HD11 . 26054 1 31 . 1 1 6 6 ILE HD12 H 1 0.9023 . . 1 . . . A 6 ILE HD12 . 26054 1 32 . 1 1 6 6 ILE HD13 H 1 0.9023 . . 1 . . . A 6 ILE HD13 . 26054 1 33 . 1 1 6 6 ILE N N 15 120.7058 . . 1 . . . A 6 ILE N . 26054 1 34 . 1 1 7 7 ALA H H 1 8.7981 . . 1 . . . A 7 ALA H . 26054 1 35 . 1 1 7 7 ALA HA H 1 3.9767 . . 1 . . . A 7 ALA HA . 26054 1 36 . 1 1 7 7 ALA HB1 H 1 1.4784 . . 1 . . . A 7 ALA HB1 . 26054 1 37 . 1 1 7 7 ALA HB2 H 1 1.4784 . . 1 . . . A 7 ALA HB2 . 26054 1 38 . 1 1 7 7 ALA HB3 H 1 1.4784 . . 1 . . . A 7 ALA HB3 . 26054 1 39 . 1 1 7 7 ALA N N 15 136.8541 . . 1 . . . A 7 ALA N . 26054 1 40 . 1 1 8 8 LYS H H 1 7.2997 . . 1 . . . A 8 LYS H . 26054 1 41 . 1 1 8 8 LYS HA H 1 4.1023 . . 1 . . . A 8 LYS HA . 26054 1 42 . 1 1 8 8 LYS HB2 H 1 1.6931 . . 2 . . . A 8 LYS HB2 . 26054 1 43 . 1 1 8 8 LYS HB3 H 1 1.8289 . . 2 . . . A 8 LYS HB3 . 26054 1 44 . 1 1 8 8 LYS HG2 H 1 1.4763 . . 2 . . . A 8 LYS HG2 . 26054 1 45 . 1 1 8 8 LYS HG3 H 1 1.4776 . . 2 . . . A 8 LYS HG3 . 26054 1 46 . 1 1 8 8 LYS HD2 H 1 1.5855 . . 2 . . . A 8 LYS HD2 . 26054 1 47 . 1 1 8 8 LYS HD3 H 1 1.5854 . . 2 . . . A 8 LYS HD3 . 26054 1 48 . 1 1 8 8 LYS HE2 H 1 3.2110 . . 2 . . . A 8 LYS HE2 . 26054 1 49 . 1 1 8 8 LYS HE3 H 1 3.2136 . . 2 . . . A 8 LYS HE3 . 26054 1 50 . 1 1 8 8 LYS N N 15 118.6630 . . 1 . . . A 8 LYS N . 26054 1 51 . 1 1 9 9 ASP H H 1 9.1972 . . 1 . . . A 9 ASP H . 26054 1 52 . 1 1 9 9 ASP HA H 1 3.9736 . . 1 . . . A 9 ASP HA . 26054 1 53 . 1 1 9 9 ASP HB2 H 1 2.7937 . . 2 . . . A 9 ASP HB2 . 26054 1 54 . 1 1 9 9 ASP HB3 H 1 2.3842 . . 2 . . . A 9 ASP HB3 . 26054 1 55 . 1 1 9 9 ASP N N 15 133.0719 . . 1 . . . A 9 ASP N . 26054 1 56 . 1 1 10 10 TYR H H 1 8.5571 . . 1 . . . A 10 TYR H . 26054 1 57 . 1 1 10 10 TYR HA H 1 4.0361 . . 1 . . . A 10 TYR HA . 26054 1 58 . 1 1 10 10 TYR HB2 H 1 3.2577 . . 2 . . . A 10 TYR HB2 . 26054 1 59 . 1 1 10 10 TYR HB3 H 1 2.7579 . . 2 . . . A 10 TYR HB3 . 26054 1 60 . 1 1 10 10 TYR HD1 H 1 7.0593 . . 3 . . . A 10 TYR HD1 . 26054 1 61 . 1 1 10 10 TYR HD2 H 1 7.1162 . . 3 . . . A 10 TYR HD2 . 26054 1 62 . 1 1 10 10 TYR HE1 H 1 6.9264 . . 3 . . . A 10 TYR HE1 . 26054 1 63 . 1 1 10 10 TYR HE2 H 1 6.8222 . . 3 . . . A 10 TYR HE2 . 26054 1 64 . 1 1 10 10 TYR N N 15 120.9087 . . 1 . . . A 10 TYR N . 26054 1 65 . 1 1 11 11 GLY H H 1 7.9578 . . 1 . . . A 11 GLY H . 26054 1 66 . 1 1 11 11 GLY HA2 H 1 3.8833 . . 2 . . . A 11 GLY HA2 . 26054 1 67 . 1 1 11 11 GLY HA3 H 1 3.2075 . . 2 . . . A 11 GLY HA3 . 26054 1 68 . 1 1 11 11 GLY N N 15 104.8321 . . 1 . . . A 11 GLY N . 26054 1 69 . 1 1 12 12 ARG H H 1 8.2659 . . 1 . . . A 12 ARG H . 26054 1 70 . 1 1 12 12 ARG HA H 1 4.5553 . . 1 . . . A 12 ARG HA . 26054 1 71 . 1 1 12 12 ARG HB2 H 1 1.8075 . . 2 . . . A 12 ARG HB2 . 26054 1 72 . 1 1 12 12 ARG HB3 H 1 1.8770 . . 2 . . . A 12 ARG HB3 . 26054 1 73 . 1 1 12 12 ARG HG2 H 1 1.4697 . . 2 . . . A 12 ARG HG2 . 26054 1 74 . 1 1 12 12 ARG HG3 H 1 1.4697 . . 2 . . . A 12 ARG HG3 . 26054 1 75 . 1 1 12 12 ARG HD2 H 1 3.2080 . . 2 . . . A 12 ARG HD2 . 26054 1 76 . 1 1 12 12 ARG HD3 H 1 3.2080 . . 2 . . . A 12 ARG HD3 . 26054 1 77 . 1 1 12 12 ARG N N 15 122.9258 . . 1 . . . A 12 ARG N . 26054 1 78 . 1 1 13 13 CYS H H 1 7.6922 . . 1 . . . A 13 CYS H . 26054 1 79 . 1 1 13 13 CYS HA H 1 5.0187 . . 1 . . . A 13 CYS HA . 26054 1 80 . 1 1 13 13 CYS HB2 H 1 3.3680 . . 2 . . . A 13 CYS HB2 . 26054 1 81 . 1 1 13 13 CYS HB3 H 1 3.2917 . . 2 . . . A 13 CYS HB3 . 26054 1 82 . 1 1 13 13 CYS N N 15 119.5070 . . 1 . . . A 13 CYS N . 26054 1 83 . 1 1 14 14 LYS H H 1 9.0927 . . 1 . . . A 14 LYS H . 26054 1 84 . 1 1 14 14 LYS HA H 1 4.5767 . . 1 . . . A 14 LYS HA . 26054 1 85 . 1 1 14 14 LYS HB2 H 1 1.6641 . . 2 . . . A 14 LYS HB2 . 26054 1 86 . 1 1 14 14 LYS HB3 H 1 1.7454 . . 2 . . . A 14 LYS HB3 . 26054 1 87 . 1 1 14 14 LYS HG2 H 1 1.3325 . . 2 . . . A 14 LYS HG2 . 26054 1 88 . 1 1 14 14 LYS HG3 H 1 1.4010 . . 2 . . . A 14 LYS HG3 . 26054 1 89 . 1 1 14 14 LYS HD2 H 1 1.6623 . . 2 . . . A 14 LYS HD2 . 26054 1 90 . 1 1 14 14 LYS HD3 H 1 1.5619 . . 2 . . . A 14 LYS HD3 . 26054 1 91 . 1 1 14 14 LYS HE2 H 1 2.9994 . . 2 . . . A 14 LYS HE2 . 26054 1 92 . 1 1 14 14 LYS HE3 H 1 2.9994 . . 2 . . . A 14 LYS HE3 . 26054 1 93 . 1 1 14 14 LYS N N 15 119.6660 . . 1 . . . A 14 LYS N . 26054 1 94 . 1 1 15 15 TRP H H 1 9.0884 . . 1 . . . A 15 TRP H . 26054 1 95 . 1 1 15 15 TRP HA H 1 4.4736 . . 1 . . . A 15 TRP HA . 26054 1 96 . 1 1 15 15 TRP HB2 H 1 3.2610 . . 2 . . . A 15 TRP HB2 . 26054 1 97 . 1 1 15 15 TRP HB3 H 1 3.2622 . . 2 . . . A 15 TRP HB3 . 26054 1 98 . 1 1 15 15 TRP HD1 H 1 7.1559 . . 1 . . . A 15 TRP HD1 . 26054 1 99 . 1 1 15 15 TRP HE1 H 1 10.0374 . . 1 . . . A 15 TRP HE1 . 26054 1 100 . 1 1 15 15 TRP HE3 H 1 7.6274 . . 1 . . . A 15 TRP HE3 . 26054 1 101 . 1 1 15 15 TRP HZ2 H 1 7.2376 . . 1 . . . A 15 TRP HZ2 . 26054 1 102 . 1 1 15 15 TRP HZ3 H 1 6.8222 . . 1 . . . A 15 TRP HZ3 . 26054 1 103 . 1 1 15 15 TRP HH2 H 1 7.1162 . . 1 . . . A 15 TRP HH2 . 26054 1 104 . 1 1 15 15 TRP N N 15 129.4545 . . 1 . . . A 15 TRP N . 26054 1 105 . 1 1 15 15 TRP NE1 N 15 129.3883 . . 1 . . . A 15 TRP NE1 . 26054 1 106 . 1 1 16 16 GLY H H 1 8.7454 . . 1 . . . A 16 GLY H . 26054 1 107 . 1 1 16 16 GLY HA2 H 1 3.5859 . . 2 . . . A 16 GLY HA2 . 26054 1 108 . 1 1 16 16 GLY HA3 H 1 4.0495 . . 2 . . . A 16 GLY HA3 . 26054 1 109 . 1 1 16 16 GLY N N 15 115.3692 . . 1 . . . A 16 GLY N . 26054 1 110 . 1 1 17 17 GLY H H 1 7.8093 . . 1 . . . A 17 GLY H . 26054 1 111 . 1 1 17 17 GLY HA2 H 1 4.4856 . . 2 . . . A 17 GLY HA2 . 26054 1 112 . 1 1 17 17 GLY HA3 H 1 3.6390 . . 2 . . . A 17 GLY HA3 . 26054 1 113 . 1 1 17 17 GLY N N 15 108.0884 . . 1 . . . A 17 GLY N . 26054 1 114 . 1 1 18 18 THR H H 1 8.1869 . . 1 . . . A 18 THR H . 26054 1 115 . 1 1 18 18 THR HA H 1 4.3297 . . 1 . . . A 18 THR HA . 26054 1 116 . 1 1 18 18 THR HB H 1 3.8452 . . 1 . . . A 18 THR HB . 26054 1 117 . 1 1 18 18 THR HG21 H 1 1.8333 . . 1 . . . A 18 THR HG21 . 26054 1 118 . 1 1 18 18 THR HG22 H 1 1.8333 . . 1 . . . A 18 THR HG22 . 26054 1 119 . 1 1 18 18 THR HG23 H 1 1.8333 . . 1 . . . A 18 THR HG23 . 26054 1 120 . 1 1 18 18 THR N N 15 121.0943 . . 1 . . . A 18 THR N . 26054 1 121 . 1 1 19 19 PRO HA H 1 4.5120 . . 1 . . . A 19 PRO HA . 26054 1 122 . 1 1 19 19 PRO HB2 H 1 2.3714 . . 2 . . . A 19 PRO HB2 . 26054 1 123 . 1 1 19 19 PRO HB3 H 1 1.9876 . . 2 . . . A 19 PRO HB3 . 26054 1 124 . 1 1 19 19 PRO HG2 H 1 2.0691 . . 2 . . . A 19 PRO HG2 . 26054 1 125 . 1 1 19 19 PRO HG3 H 1 2.0691 . . 2 . . . A 19 PRO HG3 . 26054 1 126 . 1 1 19 19 PRO HD2 H 1 3.8822 . . 2 . . . A 19 PRO HD2 . 26054 1 127 . 1 1 19 19 PRO HD3 H 1 3.8822 . . 2 . . . A 19 PRO HD3 . 26054 1 128 . 1 1 20 20 CYS H H 1 8.9101 . . 1 . . . A 20 CYS H . 26054 1 129 . 1 1 20 20 CYS HA H 1 4.7599 . . 1 . . . A 20 CYS HA . 26054 1 130 . 1 1 20 20 CYS HB2 H 1 2.8123 . . 2 . . . A 20 CYS HB2 . 26054 1 131 . 1 1 20 20 CYS HB3 H 1 3.0389 . . 2 . . . A 20 CYS HB3 . 26054 1 132 . 1 1 20 20 CYS N N 15 119.2434 . . 1 . . . A 20 CYS N . 26054 1 133 . 1 1 21 21 CYS H H 1 8.5595 . . 1 . . . A 21 CYS H . 26054 1 134 . 1 1 21 21 CYS HA H 1 4.6485 . . 1 . . . A 21 CYS HA . 26054 1 135 . 1 1 21 21 CYS HB2 H 1 3.4918 . . 2 . . . A 21 CYS HB2 . 26054 1 136 . 1 1 21 21 CYS HB3 H 1 2.6232 . . 2 . . . A 21 CYS HB3 . 26054 1 137 . 1 1 21 21 CYS N N 15 119.8154 . . 1 . . . A 21 CYS N . 26054 1 138 . 1 1 22 22 ARG H H 1 7.9219 . . 1 . . . A 22 ARG H . 26054 1 139 . 1 1 22 22 ARG HA H 1 4.3438 . . 1 . . . A 22 ARG HA . 26054 1 140 . 1 1 22 22 ARG HB2 H 1 1.3853 . . 2 . . . A 22 ARG HB2 . 26054 1 141 . 1 1 22 22 ARG HB3 H 1 1.8224 . . 2 . . . A 22 ARG HB3 . 26054 1 142 . 1 1 22 22 ARG HG2 H 1 1.3026 . . 2 . . . A 22 ARG HG2 . 26054 1 143 . 1 1 22 22 ARG HD2 H 1 3.0175 . . 2 . . . A 22 ARG HD2 . 26054 1 144 . 1 1 22 22 ARG N N 15 117.3750 . . 1 . . . A 22 ARG N . 26054 1 145 . 1 1 23 23 GLY H H 1 8.5663 . . 1 . . . A 23 GLY H . 26054 1 146 . 1 1 23 23 GLY HA2 H 1 3.7303 . . 2 . . . A 23 GLY HA2 . 26054 1 147 . 1 1 23 23 GLY HA3 H 1 3.9839 . . 2 . . . A 23 GLY HA3 . 26054 1 148 . 1 1 23 23 GLY N N 15 107.0516 . . 1 . . . A 23 GLY N . 26054 1 149 . 1 1 24 24 ARG H H 1 7.3864 . . 1 . . . A 24 ARG H . 26054 1 150 . 1 1 24 24 ARG HA H 1 3.9172 . . 1 . . . A 24 ARG HA . 26054 1 151 . 1 1 24 24 ARG HB2 H 1 2.3327 . . 2 . . . A 24 ARG HB2 . 26054 1 152 . 1 1 24 24 ARG HB3 H 1 1.7883 . . 2 . . . A 24 ARG HB3 . 26054 1 153 . 1 1 24 24 ARG HG2 H 1 1.4837 . . 2 . . . A 24 ARG HG2 . 26054 1 154 . 1 1 24 24 ARG HG3 H 1 1.4837 . . 2 . . . A 24 ARG HG3 . 26054 1 155 . 1 1 24 24 ARG HD2 H 1 2.8200 . . 2 . . . A 24 ARG HD2 . 26054 1 156 . 1 1 24 24 ARG HD3 H 1 3.0129 . . 2 . . . A 24 ARG HD3 . 26054 1 157 . 1 1 24 24 ARG N N 15 118.9038 . . 1 . . . A 24 ARG N . 26054 1 158 . 1 1 25 25 GLY H H 1 9.2323 . . 1 . . . A 25 GLY H . 26054 1 159 . 1 1 25 25 GLY HA2 H 1 4.1750 . . 2 . . . A 25 GLY HA2 . 26054 1 160 . 1 1 25 25 GLY HA3 H 1 3.4925 . . 2 . . . A 25 GLY HA3 . 26054 1 161 . 1 1 25 25 GLY N N 15 110.4675 . . 1 . . . A 25 GLY N . 26054 1 162 . 1 1 26 26 CYS H H 1 8.4616 . . 1 . . . A 26 CYS H . 26054 1 163 . 1 1 26 26 CYS HA H 1 4.8786 . . 1 . . . A 26 CYS HA . 26054 1 164 . 1 1 26 26 CYS HB2 H 1 3.1305 . . 2 . . . A 26 CYS HB2 . 26054 1 165 . 1 1 26 26 CYS HB3 H 1 2.9900 . . 2 . . . A 26 CYS HB3 . 26054 1 166 . 1 1 26 26 CYS N N 15 122.3530 . . 1 . . . A 26 CYS N . 26054 1 167 . 1 1 27 27 ILE H H 1 8.8656 . . 1 . . . A 27 ILE H . 26054 1 168 . 1 1 27 27 ILE HA H 1 4.5600 . . 1 . . . A 27 ILE HA . 26054 1 169 . 1 1 27 27 ILE HB H 1 2.1097 . . 1 . . . A 27 ILE HB . 26054 1 170 . 1 1 27 27 ILE HG12 H 1 1.6455 . . 2 . . . A 27 ILE HG12 . 26054 1 171 . 1 1 27 27 ILE HG13 H 1 0.8655 . . 2 . . . A 27 ILE HG13 . 26054 1 172 . 1 1 27 27 ILE HG21 H 1 1.0613 . . 1 . . . A 27 ILE HG21 . 26054 1 173 . 1 1 27 27 ILE HG22 H 1 1.0613 . . 1 . . . A 27 ILE HG22 . 26054 1 174 . 1 1 27 27 ILE HG23 H 1 1.0613 . . 1 . . . A 27 ILE HG23 . 26054 1 175 . 1 1 27 27 ILE HD11 H 1 0.8655 . . 1 . . . A 27 ILE HD11 . 26054 1 176 . 1 1 27 27 ILE HD12 H 1 0.8655 . . 1 . . . A 27 ILE HD12 . 26054 1 177 . 1 1 27 27 ILE HD13 H 1 0.8655 . . 1 . . . A 27 ILE HD13 . 26054 1 178 . 1 1 27 27 ILE N N 15 130.2209 . . 1 . . . A 27 ILE N . 26054 1 179 . 1 1 28 28 CYS H H 1 8.9905 . . 1 . . . A 28 CYS H . 26054 1 180 . 1 1 28 28 CYS HA H 1 4.9897 . . 1 . . . A 28 CYS HA . 26054 1 181 . 1 1 28 28 CYS HB2 H 1 2.9595 . . 2 . . . A 28 CYS HB2 . 26054 1 182 . 1 1 28 28 CYS HB3 H 1 2.9595 . . 2 . . . A 28 CYS HB3 . 26054 1 183 . 1 1 28 28 CYS N N 15 127.5748 . . 1 . . . A 28 CYS N . 26054 1 184 . 1 1 29 29 SER H H 1 8.8177 . . 1 . . . A 29 SER H . 26054 1 185 . 1 1 29 29 SER HA H 1 4.6041 . . 1 . . . A 29 SER HA . 26054 1 186 . 1 1 29 29 SER HB2 H 1 4.2930 . . 2 . . . A 29 SER HB2 . 26054 1 187 . 1 1 29 29 SER HB3 H 1 4.0465 . . 2 . . . A 29 SER HB3 . 26054 1 188 . 1 1 29 29 SER N N 15 116.9574 . . 1 . . . A 29 SER N . 26054 1 189 . 1 1 30 30 ILE H H 1 8.6494 . . 1 . . . A 30 ILE H . 26054 1 190 . 1 1 30 30 ILE HA H 1 4.1291 . . 1 . . . A 30 ILE HA . 26054 1 191 . 1 1 30 30 ILE HB H 1 1.9865 . . 1 . . . A 30 ILE HB . 26054 1 192 . 1 1 30 30 ILE HG12 H 1 1.5421 . . 2 . . . A 30 ILE HG12 . 26054 1 193 . 1 1 30 30 ILE HG13 H 1 1.5421 . . 2 . . . A 30 ILE HG13 . 26054 1 194 . 1 1 30 30 ILE HG21 H 1 1.0187 . . 1 . . . A 30 ILE HG21 . 26054 1 195 . 1 1 30 30 ILE HG22 H 1 1.0187 . . 1 . . . A 30 ILE HG22 . 26054 1 196 . 1 1 30 30 ILE HG23 H 1 1.0187 . . 1 . . . A 30 ILE HG23 . 26054 1 197 . 1 1 30 30 ILE HD11 H 1 0.9517 . . 1 . . . A 30 ILE HD11 . 26054 1 198 . 1 1 30 30 ILE HD12 H 1 0.9517 . . 1 . . . A 30 ILE HD12 . 26054 1 199 . 1 1 30 30 ILE HD13 H 1 0.9517 . . 1 . . . A 30 ILE HD13 . 26054 1 200 . 1 1 30 30 ILE N N 15 120.0765 . . 1 . . . A 30 ILE N . 26054 1 201 . 1 1 31 31 MET H H 1 8.0743 . . 1 . . . A 31 MET H . 26054 1 202 . 1 1 31 31 MET HA H 1 4.4876 . . 1 . . . A 31 MET HA . 26054 1 203 . 1 1 31 31 MET HB2 H 1 2.2753 . . 2 . . . A 31 MET HB2 . 26054 1 204 . 1 1 31 31 MET HB3 H 1 1.9801 . . 2 . . . A 31 MET HB3 . 26054 1 205 . 1 1 31 31 MET HG2 H 1 2.6429 . . 2 . . . A 31 MET HG2 . 26054 1 206 . 1 1 31 31 MET HG3 H 1 2.5386 . . 2 . . . A 31 MET HG3 . 26054 1 207 . 1 1 31 31 MET N N 15 121.6233 . . 1 . . . A 31 MET N . 26054 1 208 . 1 1 32 32 GLY H H 1 8.2328 . . 1 . . . A 32 GLY H . 26054 1 209 . 1 1 32 32 GLY HA2 H 1 3.5276 . . 2 . . . A 32 GLY HA2 . 26054 1 210 . 1 1 32 32 GLY HA3 H 1 4.1249 . . 2 . . . A 32 GLY HA3 . 26054 1 211 . 1 1 32 32 GLY N N 15 107.2018 . . 1 . . . A 32 GLY N . 26054 1 212 . 1 1 33 33 THR H H 1 7.5143 . . 1 . . . A 33 THR H . 26054 1 213 . 1 1 33 33 THR HA H 1 4.6183 . . 1 . . . A 33 THR HA . 26054 1 214 . 1 1 33 33 THR HB H 1 4.3108 . . 1 . . . A 33 THR HB . 26054 1 215 . 1 1 33 33 THR HG21 H 1 1.1096 . . 1 . . . A 33 THR HG21 . 26054 1 216 . 1 1 33 33 THR HG22 H 1 1.1096 . . 1 . . . A 33 THR HG22 . 26054 1 217 . 1 1 33 33 THR HG23 H 1 1.1096 . . 1 . . . A 33 THR HG23 . 26054 1 218 . 1 1 33 33 THR N N 15 109.6658 . . 1 . . . A 33 THR N . 26054 1 219 . 1 1 34 34 ASN H H 1 8.7500 . . 1 . . . A 34 ASN H . 26054 1 220 . 1 1 34 34 ASN HA H 1 4.4714 . . 1 . . . A 34 ASN HA . 26054 1 221 . 1 1 34 34 ASN HB2 H 1 3.0389 . . 2 . . . A 34 ASN HB2 . 26054 1 222 . 1 1 34 34 ASN HB3 H 1 2.7583 . . 2 . . . A 34 ASN HB3 . 26054 1 223 . 1 1 34 34 ASN HD21 H 1 7.4603 . . 2 . . . A 34 ASN HD21 . 26054 1 224 . 1 1 34 34 ASN HD22 H 1 6.8681 . . 2 . . . A 34 ASN HD22 . 26054 1 225 . 1 1 34 34 ASN N N 15 118.4994 . . 1 . . . A 34 ASN N . 26054 1 226 . 1 1 34 34 ASN ND2 N 15 112.2434 . . 1 . . . A 34 ASN ND2 . 26054 1 227 . 1 1 35 35 CYS H H 1 8.3741 . . 1 . . . A 35 CYS H . 26054 1 228 . 1 1 35 35 CYS HA H 1 5.0854 . . 1 . . . A 35 CYS HA . 26054 1 229 . 1 1 35 35 CYS HB2 H 1 2.7946 . . 2 . . . A 35 CYS HB2 . 26054 1 230 . 1 1 35 35 CYS HB3 H 1 3.6232 . . 2 . . . A 35 CYS HB3 . 26054 1 231 . 1 1 35 35 CYS N N 15 119.7126 . . 1 . . . A 35 CYS N . 26054 1 232 . 1 1 36 36 GLU H H 1 8.7123 . . 1 . . . A 36 GLU H . 26054 1 233 . 1 1 36 36 GLU HA H 1 5.0882 . . 1 . . . A 36 GLU HA . 26054 1 234 . 1 1 36 36 GLU HB2 H 1 1.8030 . . 2 . . . A 36 GLU HB2 . 26054 1 235 . 1 1 36 36 GLU HB3 H 1 1.8030 . . 2 . . . A 36 GLU HB3 . 26054 1 236 . 1 1 36 36 GLU HG2 H 1 2.3044 . . 2 . . . A 36 GLU HG2 . 26054 1 237 . 1 1 36 36 GLU HG3 H 1 2.3044 . . 2 . . . A 36 GLU HG3 . 26054 1 238 . 1 1 36 36 GLU N N 15 122.0628 . . 1 . . . A 36 GLU N . 26054 1 239 . 1 1 37 37 CYS H H 1 8.9394 . . 1 . . . A 37 CYS H . 26054 1 240 . 1 1 37 37 CYS HA H 1 5.2184 . . 1 . . . A 37 CYS HA . 26054 1 241 . 1 1 37 37 CYS HB2 H 1 2.7036 . . 2 . . . A 37 CYS HB2 . 26054 1 242 . 1 1 37 37 CYS HB3 H 1 2.7062 . . 2 . . . A 37 CYS HB3 . 26054 1 243 . 1 1 37 37 CYS N N 15 120.7879 . . 1 . . . A 37 CYS N . 26054 1 244 . 1 1 38 38 LYS H H 1 8.0890 . . 1 . . . A 38 LYS H . 26054 1 245 . 1 1 38 38 LYS HA H 1 5.2174 . . 1 . . . A 38 LYS HA . 26054 1 246 . 1 1 38 38 LYS HB2 H 1 1.8586 . . 2 . . . A 38 LYS HB2 . 26054 1 247 . 1 1 38 38 LYS HB3 H 1 1.9460 . . 2 . . . A 38 LYS HB3 . 26054 1 248 . 1 1 38 38 LYS HG2 H 1 1.6404 . . 2 . . . A 38 LYS HG2 . 26054 1 249 . 1 1 38 38 LYS HG3 H 1 1.6404 . . 2 . . . A 38 LYS HG3 . 26054 1 250 . 1 1 38 38 LYS HD2 H 1 1.8158 . . 2 . . . A 38 LYS HD2 . 26054 1 251 . 1 1 38 38 LYS HD3 H 1 1.7578 . . 2 . . . A 38 LYS HD3 . 26054 1 252 . 1 1 38 38 LYS HE2 H 1 3.1222 . . 2 . . . A 38 LYS HE2 . 26054 1 253 . 1 1 38 38 LYS HE3 H 1 2.9839 . . 2 . . . A 38 LYS HE3 . 26054 1 254 . 1 1 38 38 LYS N N 15 127.8244 . . 1 . . . A 38 LYS N . 26054 1 255 . 1 1 39 39 PRO HA H 1 4.5861 . . 1 . . . A 39 PRO HA . 26054 1 256 . 1 1 39 39 PRO HB2 H 1 2.0070 . . 2 . . . A 39 PRO HB2 . 26054 1 257 . 1 1 39 39 PRO HB3 H 1 2.0070 . . 2 . . . A 39 PRO HB3 . 26054 1 258 . 1 1 39 39 PRO HG2 H 1 2.1120 . . 2 . . . A 39 PRO HG2 . 26054 1 259 . 1 1 39 39 PRO HG3 H 1 2.1120 . . 2 . . . A 39 PRO HG3 . 26054 1 260 . 1 1 39 39 PRO HD2 H 1 3.3783 . . 2 . . . A 39 PRO HD2 . 26054 1 261 . 1 1 39 39 PRO HD3 H 1 3.3783 . . 2 . . . A 39 PRO HD3 . 26054 1 262 . 1 1 40 40 ARG H H 1 8.0520 . . 1 . . . A 40 ARG H . 26054 1 263 . 1 1 40 40 ARG HA H 1 3.9022 . . 1 . . . A 40 ARG HA . 26054 1 264 . 1 1 40 40 ARG HB2 H 1 2.1079 . . 2 . . . A 40 ARG HB2 . 26054 1 265 . 1 1 40 40 ARG HB3 H 1 1.7924 . . 2 . . . A 40 ARG HB3 . 26054 1 266 . 1 1 40 40 ARG HG2 H 1 1.5132 . . 2 . . . A 40 ARG HG2 . 26054 1 267 . 1 1 40 40 ARG HG3 H 1 1.6855 . . 2 . . . A 40 ARG HG3 . 26054 1 268 . 1 1 40 40 ARG HD2 H 1 3.2148 . . 2 . . . A 40 ARG HD2 . 26054 1 269 . 1 1 40 40 ARG HD3 H 1 3.2148 . . 2 . . . A 40 ARG HD3 . 26054 1 270 . 1 1 40 40 ARG N N 15 124.4475 . . 1 . . . A 40 ARG N . 26054 1 271 . 1 1 41 41 LEU H H 1 8.7052 . . 1 . . . A 41 LEU H . 26054 1 272 . 1 1 41 41 LEU HA H 1 3.8262 . . 1 . . . A 41 LEU HA . 26054 1 273 . 1 1 41 41 LEU HB2 H 1 1.6819 . . 2 . . . A 41 LEU HB2 . 26054 1 274 . 1 1 41 41 LEU HB3 H 1 1.6819 . . 2 . . . A 41 LEU HB3 . 26054 1 275 . 1 1 41 41 LEU HG H 1 1.6819 . . 1 . . . A 41 LEU HG . 26054 1 276 . 1 1 41 41 LEU HD11 H 1 0.8648 . . 2 . . . A 41 LEU HD11 . 26054 1 277 . 1 1 41 41 LEU HD12 H 1 0.8648 . . 2 . . . A 41 LEU HD12 . 26054 1 278 . 1 1 41 41 LEU HD13 H 1 0.8648 . . 2 . . . A 41 LEU HD13 . 26054 1 279 . 1 1 41 41 LEU HD21 H 1 0.9244 . . 2 . . . A 41 LEU HD21 . 26054 1 280 . 1 1 41 41 LEU HD22 H 1 0.9244 . . 2 . . . A 41 LEU HD22 . 26054 1 281 . 1 1 41 41 LEU HD23 H 1 0.9244 . . 2 . . . A 41 LEU HD23 . 26054 1 282 . 1 1 41 41 LEU N N 15 118.9665 . . 1 . . . A 41 LEU N . 26054 1 283 . 1 1 42 42 ILE H H 1 8.2238 . . 1 . . . A 42 ILE H . 26054 1 284 . 1 1 42 42 ILE HA H 1 4.3380 . . 1 . . . A 42 ILE HA . 26054 1 285 . 1 1 42 42 ILE HB H 1 2.0242 . . 1 . . . A 42 ILE HB . 26054 1 286 . 1 1 42 42 ILE HG12 H 1 1.3369 . . 2 . . . A 42 ILE HG12 . 26054 1 287 . 1 1 42 42 ILE HG13 H 1 1.3369 . . 2 . . . A 42 ILE HG13 . 26054 1 288 . 1 1 42 42 ILE HG21 H 1 0.9211 . . 1 . . . A 42 ILE HG21 . 26054 1 289 . 1 1 42 42 ILE HG22 H 1 0.9211 . . 1 . . . A 42 ILE HG22 . 26054 1 290 . 1 1 42 42 ILE HG23 H 1 0.9211 . . 1 . . . A 42 ILE HG23 . 26054 1 291 . 1 1 42 42 ILE HD11 H 1 0.8670 . . 1 . . . A 42 ILE HD11 . 26054 1 292 . 1 1 42 42 ILE HD12 H 1 0.8670 . . 1 . . . A 42 ILE HD12 . 26054 1 293 . 1 1 42 42 ILE HD13 H 1 0.8670 . . 1 . . . A 42 ILE HD13 . 26054 1 294 . 1 1 42 42 ILE N N 15 133.8260 . . 1 . . . A 42 ILE N . 26054 1 295 . 1 1 43 43 MET H H 1 8.2227 . . 1 . . . A 43 MET H . 26054 1 296 . 1 1 43 43 MET HA H 1 4.0554 . . 1 . . . A 43 MET HA . 26054 1 297 . 1 1 43 43 MET HB2 H 1 2.1081 . . 2 . . . A 43 MET HB2 . 26054 1 298 . 1 1 43 43 MET HB3 H 1 2.0242 . . 2 . . . A 43 MET HB3 . 26054 1 299 . 1 1 43 43 MET HG2 H 1 2.6189 . . 2 . . . A 43 MET HG2 . 26054 1 300 . 1 1 43 43 MET HG3 H 1 2.5199 . . 2 . . . A 43 MET HG3 . 26054 1 301 . 1 1 43 43 MET N N 15 117.9553 . . 1 . . . A 43 MET N . 26054 1 302 . 1 1 44 44 GLU H H 1 8.6006 . . 1 . . . A 44 GLU H . 26054 1 303 . 1 1 44 44 GLU HA H 1 4.3226 . . 1 . . . A 44 GLU HA . 26054 1 304 . 1 1 44 44 GLU HB2 H 1 2.2290 . . 2 . . . A 44 GLU HB2 . 26054 1 305 . 1 1 44 44 GLU HB3 H 1 1.8421 . . 2 . . . A 44 GLU HB3 . 26054 1 306 . 1 1 44 44 GLU HG2 H 1 2.6095 . . 2 . . . A 44 GLU HG2 . 26054 1 307 . 1 1 44 44 GLU HG3 H 1 2.2290 . . 2 . . . A 44 GLU HG3 . 26054 1 308 . 1 1 44 44 GLU N N 15 116.3950 . . 1 . . . A 44 GLU N . 26054 1 309 . 1 1 45 45 GLY H H 1 8.1893 . . 1 . . . A 45 GLY H . 26054 1 310 . 1 1 45 45 GLY HA2 H 1 3.7778 . . 2 . . . A 45 GLY HA2 . 26054 1 311 . 1 1 45 45 GLY HA3 H 1 3.9707 . . 2 . . . A 45 GLY HA3 . 26054 1 312 . 1 1 45 45 GLY N N 15 110.3360 . . 1 . . . A 45 GLY N . 26054 1 313 . 1 1 46 46 LEU H H 1 7.7311 . . 1 . . . A 46 LEU H . 26054 1 314 . 1 1 46 46 LEU HA H 1 4.3615 . . 1 . . . A 46 LEU HA . 26054 1 315 . 1 1 46 46 LEU HB2 H 1 1.8139 . . 2 . . . A 46 LEU HB2 . 26054 1 316 . 1 1 46 46 LEU HB3 H 1 1.9476 . . 2 . . . A 46 LEU HB3 . 26054 1 317 . 1 1 46 46 LEU HG H 1 1.6838 . . 1 . . . A 46 LEU HG . 26054 1 318 . 1 1 46 46 LEU HD11 H 1 0.8869 . . 2 . . . A 46 LEU HD11 . 26054 1 319 . 1 1 46 46 LEU HD12 H 1 0.8869 . . 2 . . . A 46 LEU HD12 . 26054 1 320 . 1 1 46 46 LEU HD13 H 1 0.8869 . . 2 . . . A 46 LEU HD13 . 26054 1 321 . 1 1 46 46 LEU HD21 H 1 0.9050 . . 2 . . . A 46 LEU HD21 . 26054 1 322 . 1 1 46 46 LEU HD22 H 1 0.9050 . . 2 . . . A 46 LEU HD22 . 26054 1 323 . 1 1 46 46 LEU HD23 H 1 0.9050 . . 2 . . . A 46 LEU HD23 . 26054 1 324 . 1 1 46 46 LEU N N 15 116.7448 . . 1 . . . A 46 LEU N . 26054 1 325 . 1 1 47 47 GLY H H 1 7.6964 . . 1 . . . A 47 GLY H . 26054 1 326 . 1 1 47 47 GLY HA2 H 1 4.1267 . . 2 . . . A 47 GLY HA2 . 26054 1 327 . 1 1 47 47 GLY HA3 H 1 3.9501 . . 2 . . . A 47 GLY HA3 . 26054 1 328 . 1 1 47 47 GLY N N 15 104.0132 . . 1 . . . A 47 GLY N . 26054 1 329 . 1 1 48 48 LEU H H 1 8.1232 . . 1 . . . A 48 LEU H . 26054 1 330 . 1 1 48 48 LEU HA H 1 4.2484 . . 1 . . . A 48 LEU HA . 26054 1 331 . 1 1 48 48 LEU HB2 H 1 1.8105 . . 2 . . . A 48 LEU HB2 . 26054 1 332 . 1 1 48 48 LEU HB3 H 1 1.8354 . . 2 . . . A 48 LEU HB3 . 26054 1 333 . 1 1 48 48 LEU HG H 1 1.6369 . . 1 . . . A 48 LEU HG . 26054 1 334 . 1 1 48 48 LEU HD11 H 1 0.8765 . . 2 . . . A 48 LEU HD11 . 26054 1 335 . 1 1 48 48 LEU HD12 H 1 0.8765 . . 2 . . . A 48 LEU HD12 . 26054 1 336 . 1 1 48 48 LEU HD13 H 1 0.8765 . . 2 . . . A 48 LEU HD13 . 26054 1 337 . 1 1 48 48 LEU HD21 H 1 0.8789 . . 2 . . . A 48 LEU HD21 . 26054 1 338 . 1 1 48 48 LEU HD22 H 1 0.8789 . . 2 . . . A 48 LEU HD22 . 26054 1 339 . 1 1 48 48 LEU HD23 H 1 0.8789 . . 2 . . . A 48 LEU HD23 . 26054 1 340 . 1 1 48 48 LEU N N 15 118.1428 . . 1 . . . A 48 LEU N . 26054 1 341 . 1 1 49 49 ALA H H 1 7.5137 . . 1 . . . A 49 ALA H . 26054 1 342 . 1 1 49 49 ALA HA H 1 4.0470 . . 1 . . . A 49 ALA HA . 26054 1 343 . 1 1 49 49 ALA HB1 H 1 1.3347 . . 1 . . . A 49 ALA HB1 . 26054 1 344 . 1 1 49 49 ALA HB2 H 1 1.3347 . . 1 . . . A 49 ALA HB2 . 26054 1 345 . 1 1 49 49 ALA HB3 H 1 1.3347 . . 1 . . . A 49 ALA HB3 . 26054 1 346 . 1 1 49 49 ALA N N 15 125.0328 . . 1 . . . A 49 ALA N . 26054 1 stop_ save_