################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30400 _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 $chem_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-13C HMQC, 1H-15N TROSY' . . . 30400 1 2 '2D 1H-13C HMQC, 1H-15N TROSY' . . . 30400 1 3 3D_15N-separated_NOESY . . . 30400 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 3 3 MET H H 1 8.197 . . . . . . . B 3 MET H1 . 30400 1 2 . 2 2 3 3 MET N N 15 122.73 . . . . . . . B 3 MET N . 30400 1 3 . 2 2 4 4 THR H H 1 8.542 . . . . . . . B 4 THR H . 30400 1 4 . 2 2 4 4 THR N N 15 123.442 . . . . . . . B 4 THR N . 30400 1 5 . 2 2 5 5 GLU H H 1 8.242 . . . . . . . B 5 GLU H . 30400 1 6 . 2 2 5 5 GLU N N 15 127.422 . . . . . . . B 5 GLU N . 30400 1 7 . 2 2 7 7 LYS H H 1 9.012 . . . . . . . B 7 LYS H . 30400 1 8 . 2 2 7 7 LYS N N 15 124.362 . . . . . . . B 7 LYS N . 30400 1 9 . 2 2 8 8 LEU H H 1 9.133 . . . . . . . B 8 LEU H . 30400 1 10 . 2 2 8 8 LEU HD21 H 1 0.865 . . . . . . . B 8 LEU HD21 . 30400 1 11 . 2 2 8 8 LEU HD22 H 1 0.865 . . . . . . . B 8 LEU HD22 . 30400 1 12 . 2 2 8 8 LEU HD23 H 1 0.865 . . . . . . . B 8 LEU HD23 . 30400 1 13 . 2 2 8 8 LEU CD2 C 13 23.665 . . . . . . . B 8 LEU CD2 . 30400 1 14 . 2 2 8 8 LEU N N 15 126.925 . . . . . . . B 8 LEU N . 30400 1 15 . 2 2 11 11 VAL H H 1 8.922 . . . . . . . B 11 VAL H . 30400 1 16 . 2 2 11 11 VAL N N 15 120.901 . . . . . . . B 11 VAL N . 30400 1 17 . 2 2 16 16 VAL H H 1 7.329 . . . . . . . B 16 VAL H . 30400 1 18 . 2 2 16 16 VAL HG11 H 1 0.892 . . . . . . . B 16 VAL HG11 . 30400 1 19 . 2 2 16 16 VAL HG12 H 1 0.892 . . . . . . . B 16 VAL HG12 . 30400 1 20 . 2 2 16 16 VAL HG13 H 1 0.892 . . . . . . . B 16 VAL HG13 . 30400 1 21 . 2 2 16 16 VAL CG1 C 13 14.838 . . . . . . . B 16 VAL CG1 . 30400 1 22 . 2 2 16 16 VAL N N 15 112.959 . . . . . . . B 16 VAL N . 30400 1 23 . 2 2 21 21 LEU HD11 H 1 0.547 . . . . . . . B 21 LEU HD11 . 30400 1 24 . 2 2 21 21 LEU HD12 H 1 0.547 . . . . . . . B 21 LEU HD12 . 30400 1 25 . 2 2 21 21 LEU HD13 H 1 0.547 . . . . . . . B 21 LEU HD13 . 30400 1 26 . 2 2 21 21 LEU CD1 C 13 23.907 . . . . . . . B 21 LEU CD1 . 30400 1 27 . 2 2 22 22 THR H H 1 7.662 . . . . . . . B 22 THR H . 30400 1 28 . 2 2 22 22 THR N N 15 117.549 . . . . . . . B 22 THR N . 30400 1 29 . 2 2 23 23 ILE HD11 H 1 0.513 . . . . . . . B 23 ILE HD11 . 30400 1 30 . 2 2 23 23 ILE HD12 H 1 0.513 . . . . . . . B 23 ILE HD12 . 30400 1 31 . 2 2 23 23 ILE HD13 H 1 0.513 . . . . . . . B 23 ILE HD13 . 30400 1 32 . 2 2 23 23 ILE CD1 C 13 8.736 . . . . . . . B 23 ILE CD1 . 30400 1 33 . 2 2 25 25 LEU HD11 H 1 -0.325 . . . . . . . B 25 LEU HD11 . 30400 1 34 . 2 2 25 25 LEU HD12 H 1 -0.325 . . . . . . . B 25 LEU HD12 . 30400 1 35 . 2 2 25 25 LEU HD13 H 1 -0.325 . . . . . . . B 25 LEU HD13 . 30400 1 36 . 2 2 25 25 LEU CD1 C 13 21.216 . . . . . . . B 25 LEU CD1 . 30400 1 37 . 2 2 26 26 ILE HD11 H 1 0.389 . . . . . . . B 26 ILE HD11 . 30400 1 38 . 2 2 26 26 ILE HD12 H 1 0.389 . . . . . . . B 26 ILE HD12 . 30400 1 39 . 2 2 26 26 ILE HD13 H 1 0.389 . . . . . . . B 26 ILE HD13 . 30400 1 40 . 2 2 26 26 ILE CD1 C 13 7.872 . . . . . . . B 26 ILE CD1 . 30400 1 41 . 2 2 31 31 VAL H H 1 7.766 . . . . . . . B 31 VAL H . 30400 1 42 . 2 2 31 31 VAL N N 15 125.681 . . . . . . . B 31 VAL N . 30400 1 43 . 2 2 33 33 GLU H H 1 7.602 . . . . . . . B 33 GLU H . 30400 1 44 . 2 2 33 33 GLU N N 15 119.42 . . . . . . . B 33 GLU N . 30400 1 45 . 2 2 38 38 ILE HD11 H 1 0.714 . . . . . . . B 38 ILE HD11 . 30400 1 46 . 2 2 38 38 ILE HD12 H 1 0.714 . . . . . . . B 38 ILE HD12 . 30400 1 47 . 2 2 38 38 ILE HD13 H 1 0.714 . . . . . . . B 38 ILE HD13 . 30400 1 48 . 2 2 38 38 ILE CD1 C 13 10.007 . . . . . . . B 38 ILE CD1 . 30400 1 49 . 2 2 43 43 ARG H H 1 8.328 . . . . . . . B 43 ARG H . 30400 1 50 . 2 2 43 43 ARG N N 15 120.92 . . . . . . . B 43 ARG N . 30400 1 51 . 2 2 45 45 GLN H H 1 8.747 . . . . . . . B 45 GLN H . 30400 1 52 . 2 2 45 45 GLN N N 15 129.621 . . . . . . . B 45 GLN N . 30400 1 53 . 2 2 46 46 VAL H H 1 8.937 . . . . . . . B 46 VAL H . 30400 1 54 . 2 2 46 46 VAL N N 15 122.408 . . . . . . . B 46 VAL N . 30400 1 55 . 2 2 47 47 VAL H H 1 7.998 . . . . . . . B 47 VAL H . 30400 1 56 . 2 2 47 47 VAL N N 15 122.857 . . . . . . . B 47 VAL N . 30400 1 57 . 2 2 48 48 ILE H H 1 8.211 . . . . . . . B 48 ILE H . 30400 1 58 . 2 2 48 48 ILE HD11 H 1 0.361 . . . . . . . B 48 ILE HD11 . 30400 1 59 . 2 2 48 48 ILE HD12 H 1 0.361 . . . . . . . B 48 ILE HD12 . 30400 1 60 . 2 2 48 48 ILE HD13 H 1 0.361 . . . . . . . B 48 ILE HD13 . 30400 1 61 . 2 2 48 48 ILE CD1 C 13 12.257 . . . . . . . B 48 ILE CD1 . 30400 1 62 . 2 2 48 48 ILE N N 15 126.52 . . . . . . . B 48 ILE N . 30400 1 63 . 2 2 50 50 GLY H H 1 8.164 . . . . . . . B 50 GLY H . 30400 1 64 . 2 2 50 50 GLY N N 15 104.01 . . . . . . . B 50 GLY N . 30400 1 65 . 2 2 51 51 GLU H H 1 7.577 . . . . . . . B 51 GLU H . 30400 1 66 . 2 2 51 51 GLU N N 15 123.314 . . . . . . . B 51 GLU N . 30400 1 67 . 2 2 52 52 THR H H 1 8.897 . . . . . . . B 52 THR H . 30400 1 68 . 2 2 52 52 THR N N 15 126.533 . . . . . . . B 52 THR N . 30400 1 69 . 2 2 53 53 CYS H H 1 9.242 . . . . . . . B 53 CYS H . 30400 1 70 . 2 2 53 53 CYS N N 15 125.783 . . . . . . . B 53 CYS N . 30400 1 71 . 2 2 54 54 LEU H H 1 8.697 . . . . . . . B 54 LEU H . 30400 1 72 . 2 2 54 54 LEU N N 15 123.399 . . . . . . . B 54 LEU N . 30400 1 73 . 2 2 55 55 LEU H H 1 8.904 . . . . . . . B 55 LEU H . 30400 1 74 . 2 2 55 55 LEU N N 15 125.053 . . . . . . . B 55 LEU N . 30400 1 75 . 2 2 57 57 ILE HD11 H 1 0.451 . . . . . . . B 57 ILE HD11 . 30400 1 76 . 2 2 57 57 ILE HD12 H 1 0.451 . . . . . . . B 57 ILE HD12 . 30400 1 77 . 2 2 57 57 ILE HD13 H 1 0.451 . . . . . . . B 57 ILE HD13 . 30400 1 78 . 2 2 57 57 ILE CD1 C 13 12.071 . . . . . . . B 57 ILE CD1 . 30400 1 79 . 2 2 72 72 GLN H H 1 7.772 . . . . . . . B 72 GLN H . 30400 1 80 . 2 2 72 72 GLN N N 15 117.535 . . . . . . . B 72 GLN N . 30400 1 81 . 2 2 76 76 THR H H 1 7.533 . . . . . . . B 76 THR H . 30400 1 82 . 2 2 76 76 THR N N 15 109.394 . . . . . . . B 76 THR N . 30400 1 83 . 2 2 78 78 GLU H H 1 8.719 . . . . . . . B 78 GLU H . 30400 1 84 . 2 2 78 78 GLU N N 15 122.262 . . . . . . . B 78 GLU N . 30400 1 85 . 2 2 79 79 GLY H H 1 7.729 . . . . . . . B 77 GLY H . 30400 1 86 . 2 2 79 79 GLY N N 15 108.495 . . . . . . . B 77 GLY N . 30400 1 87 . 2 2 81 81 LEU H H 1 9.148 . . . . . . . B 81 LEU H . 30400 1 88 . 2 2 81 81 LEU HD11 H 1 0.023 . . . . . . . B 81 LEU HD11 . 30400 1 89 . 2 2 81 81 LEU HD12 H 1 0.023 . . . . . . . B 81 LEU HD12 . 30400 1 90 . 2 2 81 81 LEU HD13 H 1 0.023 . . . . . . . B 81 LEU HD13 . 30400 1 91 . 2 2 81 81 LEU HD21 H 1 0.081 . . . . . . . B 81 LEU HD21 . 30400 1 92 . 2 2 81 81 LEU HD22 H 1 0.081 . . . . . . . B 81 LEU HD22 . 30400 1 93 . 2 2 81 81 LEU HD23 H 1 0.081 . . . . . . . B 81 LEU HD23 . 30400 1 94 . 2 2 81 81 LEU CD1 C 13 22.064 . . . . . . . B 81 LEU CD1 . 30400 1 95 . 2 2 81 81 LEU CD2 C 13 22.622 . . . . . . . B 81 LEU CD2 . 30400 1 96 . 2 2 81 81 LEU N N 15 127.763 . . . . . . . B 81 LEU N . 30400 1 97 . 2 2 82 82 CYS H H 1 8.616 . . . . . . . B 82 CYS H . 30400 1 98 . 2 2 82 82 CYS N N 15 125.347 . . . . . . . B 82 CYS N . 30400 1 99 . 2 2 84 84 PHE H H 1 9.231 . . . . . . . B 84 PHE H . 30400 1 100 . 2 2 84 84 PHE N N 15 124.338 . . . . . . . B 84 PHE N . 30400 1 101 . 2 2 86 86 ILE H H 1 8.343 . . . . . . . B 86 ILE H . 30400 1 102 . 2 2 86 86 ILE HD11 H 1 0.7 . . . . . . . B 86 ILE HD11 . 30400 1 103 . 2 2 86 86 ILE HD12 H 1 0.7 . . . . . . . B 86 ILE HD12 . 30400 1 104 . 2 2 86 86 ILE HD13 H 1 0.7 . . . . . . . B 86 ILE HD13 . 30400 1 105 . 2 2 86 86 ILE CD1 C 13 12.488 . . . . . . . B 86 ILE CD1 . 30400 1 106 . 2 2 86 86 ILE N N 15 114.281 . . . . . . . B 86 ILE N . 30400 1 107 . 2 2 90 90 LYS H H 1 8.351 . . . . . . . B 90 LYS H . 30400 1 108 . 2 2 90 90 LYS N N 15 124.691 . . . . . . . B 90 LYS N . 30400 1 109 . 2 2 91 91 SER H H 1 7.818 . . . . . . . B 91 SER H . 30400 1 110 . 2 2 91 91 SER N N 15 114.764 . . . . . . . B 91 SER N . 30400 1 111 . 2 2 92 92 PHE H H 1 7.319 . . . . . . . B 92 PHE H . 30400 1 112 . 2 2 92 92 PHE N N 15 125.27 . . . . . . . B 92 PHE N . 30400 1 113 . 2 2 94 94 ASP H H 1 8.448 . . . . . . . B 94 ASP H . 30400 1 114 . 2 2 94 94 ASP N N 15 117.7 . . . . . . . B 94 ASP N . 30400 1 115 . 2 2 95 95 ILE HD11 H 1 0.724 . . . . . . . B 95 ILE HD11 . 30400 1 116 . 2 2 95 95 ILE HD12 H 1 0.724 . . . . . . . B 95 ILE HD12 . 30400 1 117 . 2 2 95 95 ILE HD13 H 1 0.724 . . . . . . . B 95 ILE HD13 . 30400 1 118 . 2 2 95 95 ILE CD1 C 13 6.476 . . . . . . . B 95 ILE CD1 . 30400 1 119 . 2 2 97 97 HIS H H 1 7.043 . . . . . . . B 97 HIS H . 30400 1 120 . 2 2 97 97 HIS N N 15 117.406 . . . . . . . B 97 HIS N . 30400 1 121 . 2 2 102 102 ILE HD11 H 1 0.234 . . . . . . . B 102 ILE HD11 . 30400 1 122 . 2 2 102 102 ILE HD12 H 1 0.234 . . . . . . . B 102 ILE HD12 . 30400 1 123 . 2 2 102 102 ILE HD13 H 1 0.234 . . . . . . . B 102 ILE HD13 . 30400 1 124 . 2 2 102 102 ILE CD1 C 13 12.484 . . . . . . . B 102 ILE CD1 . 30400 1 125 . 2 2 104 104 ARG H H 1 7.591 . . . . . . . B 104 ARG H . 30400 1 126 . 2 2 104 104 ARG N N 15 118.764 . . . . . . . B 104 ARG N . 30400 1 127 . 2 2 107 107 ASP H H 1 7.805 . . . . . . . B 107 ASP H . 30400 1 128 . 2 2 107 107 ASP N N 15 121.554 . . . . . . . B 107 ASP N . 30400 1 129 . 2 2 108 108 SER H H 1 7.506 . . . . . . . B 108 SER H . 30400 1 130 . 2 2 108 108 SER N N 15 109.719 . . . . . . . B 108 SER N . 30400 1 131 . 2 2 111 111 VAL H H 1 7.476 . . . . . . . B 111 VAL H . 30400 1 132 . 2 2 111 111 VAL N N 15 121.984 . . . . . . . B 111 VAL N . 30400 1 133 . 2 2 115 115 LEU H H 1 8.825 . . . . . . . B 115 LEU H . 30400 1 134 . 2 2 115 115 LEU HD11 H 1 0.989 . . . . . . . B 115 LEU HD11 . 30400 1 135 . 2 2 115 115 LEU HD12 H 1 0.989 . . . . . . . B 115 LEU HD12 . 30400 1 136 . 2 2 115 115 LEU HD13 H 1 0.989 . . . . . . . B 115 LEU HD13 . 30400 1 137 . 2 2 115 115 LEU HD21 H 1 1.261 . . . . . . . B 115 LEU HD21 . 30400 1 138 . 2 2 115 115 LEU HD22 H 1 1.261 . . . . . . . B 115 LEU HD22 . 30400 1 139 . 2 2 115 115 LEU HD23 H 1 1.261 . . . . . . . B 115 LEU HD23 . 30400 1 140 . 2 2 115 115 LEU CD1 C 13 24.32 . . . . . . . B 115 LEU CD1 . 30400 1 141 . 2 2 115 115 LEU CD2 C 13 22.557 . . . . . . . B 115 LEU CD2 . 30400 1 142 . 2 2 115 115 LEU N N 15 129.314 . . . . . . . B 115 LEU N . 30400 1 143 . 2 2 116 116 VAL H H 1 9.054 . . . . . . . B 116 VAL H . 30400 1 144 . 2 2 116 116 VAL N N 15 128.421 . . . . . . . B 116 VAL N . 30400 1 145 . 2 2 117 117 GLY H H 1 8.085 . . . . . . . B 117 GLY H . 30400 1 146 . 2 2 117 117 GLY N N 15 113.937 . . . . . . . B 117 GLY N . 30400 1 147 . 2 2 119 119 LYS H H 1 7.214 . . . . . . . B 119 LYS H . 30400 1 148 . 2 2 119 119 LYS N N 15 112.68 . . . . . . . B 119 LYS N . 30400 1 149 . 2 2 120 120 CYS H H 1 8.742 . . . . . . . B 120 CYS H . 30400 1 150 . 2 2 120 120 CYS N N 15 113.189 . . . . . . . B 120 CYS N . 30400 1 151 . 2 2 121 121 ASP H H 1 8.405 . . . . . . . B 121 ASP H . 30400 1 152 . 2 2 121 121 ASP N N 15 116.587 . . . . . . . B 121 ASP N . 30400 1 153 . 2 2 122 122 LEU H H 1 7.663 . . . . . . . B 122 LEU H . 30400 1 154 . 2 2 122 122 LEU HD21 H 1 0.8 . . . . . . . B 122 LEU HD21 . 30400 1 155 . 2 2 122 122 LEU HD22 H 1 0.8 . . . . . . . B 122 LEU HD22 . 30400 1 156 . 2 2 122 122 LEU HD23 H 1 0.8 . . . . . . . B 122 LEU HD23 . 30400 1 157 . 2 2 122 122 LEU CD2 C 13 24.288 . . . . . . . B 122 LEU CD2 . 30400 1 158 . 2 2 122 122 LEU N N 15 122.073 . . . . . . . B 122 LEU N . 30400 1 159 . 2 2 124 124 SER H H 1 7.173 . . . . . . . B 124 SER H . 30400 1 160 . 2 2 124 124 SER N N 15 113.794 . . . . . . . B 124 SER N . 30400 1 161 . 2 2 126 126 THR H H 1 9.023 . . . . . . . B 126 THR H . 30400 1 162 . 2 2 126 126 THR N N 15 114.939 . . . . . . . B 126 THR N . 30400 1 163 . 2 2 127 127 VAL H H 1 7.464 . . . . . . . B 127 VAL H . 30400 1 164 . 2 2 127 127 VAL HG11 H 1 -0.21 . . . . . . . B 127 VAL HG11 . 30400 1 165 . 2 2 127 127 VAL HG12 H 1 -0.21 . . . . . . . B 127 VAL HG12 . 30400 1 166 . 2 2 127 127 VAL HG13 H 1 -0.21 . . . . . . . B 127 VAL HG13 . 30400 1 167 . 2 2 127 127 VAL CG1 C 13 16.397 . . . . . . . B 127 VAL CG1 . 30400 1 168 . 2 2 127 127 VAL N N 15 124.89 . . . . . . . B 127 VAL N . 30400 1 169 . 2 2 128 128 ASP H H 1 8.483 . . . . . . . B 128 ASP H . 30400 1 170 . 2 2 128 128 ASP N N 15 128.911 . . . . . . . B 128 ASP N . 30400 1 171 . 2 2 132 132 ALA H H 1 6.963 . . . . . . . B 132 ALA H . 30400 1 172 . 2 2 132 132 ALA N N 15 123.187 . . . . . . . B 132 ALA N . 30400 1 173 . 2 2 133 133 GLN H H 1 7.136 . . . . . . . B 131 GLN H . 30400 1 174 . 2 2 133 133 GLN N N 15 117.806 . . . . . . . B 131 GLN N . 30400 1 175 . 2 2 134 134 ASP H H 1 8.374 . . . . . . . B 134 ASP H . 30400 1 176 . 2 2 134 134 ASP N N 15 120.953 . . . . . . . B 134 ASP N . 30400 1 177 . 2 2 135 135 LEU H H 1 7.448 . . . . . . . B 135 LEU H . 30400 1 178 . 2 2 135 135 LEU HD11 H 1 0.344 . . . . . . . B 135 LEU HD11 . 30400 1 179 . 2 2 135 135 LEU HD12 H 1 0.344 . . . . . . . B 135 LEU HD12 . 30400 1 180 . 2 2 135 135 LEU HD13 H 1 0.344 . . . . . . . B 135 LEU HD13 . 30400 1 181 . 2 2 135 135 LEU HD21 H 1 0.39 . . . . . . . B 135 LEU HD21 . 30400 1 182 . 2 2 135 135 LEU HD22 H 1 0.39 . . . . . . . B 135 LEU HD22 . 30400 1 183 . 2 2 135 135 LEU HD23 H 1 0.39 . . . . . . . B 135 LEU HD23 . 30400 1 184 . 2 2 135 135 LEU CD1 C 13 23.147 . . . . . . . B 135 LEU CD1 . 30400 1 185 . 2 2 135 135 LEU CD2 C 13 20.07 . . . . . . . B 135 LEU CD2 . 30400 1 186 . 2 2 135 135 LEU N N 15 124.173 . . . . . . . B 135 LEU N . 30400 1 187 . 2 2 136 136 ALA H H 1 8.127 . . . . . . . B 136 ALA H . 30400 1 188 . 2 2 136 136 ALA N N 15 122.037 . . . . . . . B 136 ALA N . 30400 1 189 . 2 2 138 138 SER H H 1 7.837 . . . . . . . B 138 SER H . 30400 1 190 . 2 2 138 138 SER N N 15 118.166 . . . . . . . B 138 SER N . 30400 1 191 . 2 2 139 139 TYR H H 1 7.515 . . . . . . . B 139 TYR H . 30400 1 192 . 2 2 139 139 TYR N N 15 120.335 . . . . . . . B 139 TYR N . 30400 1 193 . 2 2 140 140 GLY H H 1 8.177 . . . . . . . B 140 GLY H . 30400 1 194 . 2 2 140 140 GLY N N 15 111.394 . . . . . . . B 140 GLY N . 30400 1 195 . 2 2 141 141 ILE H H 1 7.919 . . . . . . . B 141 ILE H . 30400 1 196 . 2 2 141 141 ILE HD11 H 1 0.809 . . . . . . . B 141 ILE HD11 . 30400 1 197 . 2 2 141 141 ILE HD12 H 1 0.809 . . . . . . . B 141 ILE HD12 . 30400 1 198 . 2 2 141 141 ILE HD13 H 1 0.809 . . . . . . . B 141 ILE HD13 . 30400 1 199 . 2 2 141 141 ILE CD1 C 13 12.364 . . . . . . . B 141 ILE CD1 . 30400 1 200 . 2 2 141 141 ILE N N 15 113.441 . . . . . . . B 141 ILE N . 30400 1 201 . 2 2 143 143 PHE H H 1 8.24 . . . . . . . B 143 PHE H . 30400 1 202 . 2 2 143 143 PHE N N 15 121.054 . . . . . . . B 143 PHE N . 30400 1 203 . 2 2 144 144 ILE H H 1 8.226 . . . . . . . B 144 ILE H . 30400 1 204 . 2 2 144 144 ILE HD11 H 1 0.618 . . . . . . . B 144 ILE HD11 . 30400 1 205 . 2 2 144 144 ILE HD12 H 1 0.618 . . . . . . . B 144 ILE HD12 . 30400 1 206 . 2 2 144 144 ILE HD13 H 1 0.618 . . . . . . . B 144 ILE HD13 . 30400 1 207 . 2 2 144 144 ILE CD1 C 13 11.029 . . . . . . . B 144 ILE CD1 . 30400 1 208 . 2 2 144 144 ILE N N 15 130.25 . . . . . . . B 144 ILE N . 30400 1 209 . 2 2 146 146 THR H H 1 8.782 . . . . . . . B 146 THR H . 30400 1 210 . 2 2 146 146 THR N N 15 114.47 . . . . . . . B 146 THR N . 30400 1 211 . 2 2 147 147 SER H H 1 8.505 . . . . . . . B 147 SER H . 30400 1 212 . 2 2 147 147 SER N N 15 112.422 . . . . . . . B 147 SER N . 30400 1 213 . 2 2 148 148 ALA H H 1 9.026 . . . . . . . B 148 ALA H . 30400 1 214 . 2 2 148 148 ALA N N 15 132.822 . . . . . . . B 148 ALA N . 30400 1 215 . 2 2 149 149 LYS H H 1 6.892 . . . . . . . B 149 LYS H . 30400 1 216 . 2 2 149 149 LYS N N 15 116.735 . . . . . . . B 149 LYS N . 30400 1 217 . 2 2 150 150 THR H H 1 7.55 . . . . . . . B 150 THR H . 30400 1 218 . 2 2 150 150 THR N N 15 106.792 . . . . . . . B 150 THR N . 30400 1 219 . 2 2 152 152 GLN H H 1 7.68 . . . . . . . B 152 GLN H . 30400 1 220 . 2 2 152 152 GLN N N 15 124.516 . . . . . . . B 152 GLN N . 30400 1 221 . 2 2 153 153 GLY H H 1 8.774 . . . . . . . B 153 GLY H . 30400 1 222 . 2 2 153 153 GLY N N 15 115.598 . . . . . . . B 153 GLY N . 30400 1 223 . 2 2 154 154 VAL H H 1 6.908 . . . . . . . B 154 VAL H . 30400 1 224 . 2 2 154 154 VAL N N 15 120.779 . . . . . . . B 154 VAL N . 30400 1 225 . 2 2 157 157 ALA H H 1 8.44 . . . . . . . B 157 ALA H . 30400 1 226 . 2 2 157 157 ALA N N 15 125.256 . . . . . . . B 157 ALA N . 30400 1 227 . 2 2 158 158 PHE H H 1 7.107 . . . . . . . B 158 PHE H . 30400 1 228 . 2 2 158 158 PHE N N 15 113.525 . . . . . . . B 158 PHE N . 30400 1 229 . 2 2 159 159 TYR H H 1 9.402 . . . . . . . B 159 TYR H . 30400 1 230 . 2 2 159 159 TYR N N 15 120.117 . . . . . . . B 159 TYR N . 30400 1 231 . 2 2 160 160 THR H H 1 8.469 . . . . . . . B 160 THR H . 30400 1 232 . 2 2 160 160 THR N N 15 117.018 . . . . . . . B 160 THR N . 30400 1 233 . 2 2 161 161 LEU H H 1 7.194 . . . . . . . B 161 LEU H . 30400 1 234 . 2 2 161 161 LEU HD11 H 1 0.613 . . . . . . . B 161 LEU HD11 . 30400 1 235 . 2 2 161 161 LEU HD12 H 1 0.613 . . . . . . . B 161 LEU HD12 . 30400 1 236 . 2 2 161 161 LEU HD13 H 1 0.613 . . . . . . . B 161 LEU HD13 . 30400 1 237 . 2 2 161 161 LEU CD1 C 13 24.468 . . . . . . . B 161 LEU CD1 . 30400 1 238 . 2 2 161 161 LEU N N 15 122.519 . . . . . . . B 161 LEU N . 30400 1 239 . 2 2 162 162 VAL H H 1 7.556 . . . . . . . B 162 VAL H . 30400 1 240 . 2 2 162 162 VAL HG11 H 1 -0.056 . . . . . . . B 162 VAL HG11 . 30400 1 241 . 2 2 162 162 VAL HG12 H 1 -0.056 . . . . . . . B 162 VAL HG12 . 30400 1 242 . 2 2 162 162 VAL HG13 H 1 -0.056 . . . . . . . B 162 VAL HG13 . 30400 1 243 . 2 2 162 162 VAL CG1 C 13 16.635 . . . . . . . B 162 VAL CG1 . 30400 1 244 . 2 2 162 162 VAL N N 15 120.323 . . . . . . . B 162 VAL N . 30400 1 245 . 2 2 164 164 GLU H H 1 8.251 . . . . . . . B 164 GLU H . 30400 1 246 . 2 2 164 164 GLU N N 15 119.995 . . . . . . . B 164 GLU N . 30400 1 247 . 2 2 165 165 ILE HD11 H 1 0.612 . . . . . . . B 165 ILE HD11 . 30400 1 248 . 2 2 165 165 ILE HD12 H 1 0.612 . . . . . . . B 165 ILE HD12 . 30400 1 249 . 2 2 165 165 ILE HD13 H 1 0.612 . . . . . . . B 165 ILE HD13 . 30400 1 250 . 2 2 165 165 ILE CD1 C 13 12.927 . . . . . . . B 165 ILE CD1 . 30400 1 251 . 2 2 173 173 SER H H 1 7.8 . . . . . . . B 173 SER H . 30400 1 252 . 2 2 173 173 SER N N 15 115.769 . . . . . . . B 173 SER N . 30400 1 253 . 2 2 174 174 LYS H H 1 7.951 . . . . . . . B 174 LYS H . 30400 1 254 . 2 2 174 174 LYS N N 15 122.456 . . . . . . . B 174 LYS N . 30400 1 255 . 2 2 175 175 ASP H H 1 8.164 . . . . . . . B 175 ASP H . 30400 1 256 . 2 2 175 175 ASP N N 15 120.72 . . . . . . . B 175 ASP N . 30400 1 257 . 2 2 176 176 GLY H H 1 8.096 . . . . . . . B 176 GLY H . 30400 1 258 . 2 2 176 176 GLY N N 15 109.383 . . . . . . . B 176 GLY N . 30400 1 259 . 2 2 180 180 LYS H H 1 8.011 . . . . . . . B 178 LYS H . 30400 1 260 . 2 2 180 180 LYS N N 15 121.798 . . . . . . . B 178 LYS N . 30400 1 261 . 2 2 181 181 LYS H H 1 8.101 . . . . . . . B 179 LYS H . 30400 1 262 . 2 2 181 181 LYS N N 15 123.015 . . . . . . . B 179 LYS N . 30400 1 263 . 2 2 182 182 LYS H H 1 8.152 . . . . . . . B 180 LYS H . 30400 1 264 . 2 2 182 182 LYS N N 15 123.32 . . . . . . . B 180 LYS N . 30400 1 265 . 2 2 187 187 CYS H H 1 8.01 . . . . . . . B 187 CYS H . 30400 1 266 . 2 2 187 187 CYS N N 15 125.504 . . . . . . . B 187 CYS N . 30400 1 stop_ save_