################################### # 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 25601 _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 5 '2D 1H-15N HSQC' . . . 25601 1 6 '2D 1H-15N HSQC' . . . 25601 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 GLN H H 1 8.875 . . . . . . A 2 GLN H . 25601 1 2 . 1 1 2 2 GLN N N 15 123.090 . . . . . . A 2 GLN N . 25601 1 3 . 1 1 3 3 ILE H H 1 8.336 . . . . . . A 3 ILE H . 25601 1 4 . 1 1 3 3 ILE N N 15 115.317 . . . . . . A 3 ILE N . 25601 1 5 . 1 1 4 4 PHE H H 1 8.622 . . . . . . A 4 PHE H . 25601 1 6 . 1 1 4 4 PHE N N 15 118.705 . . . . . . A 4 PHE N . 25601 1 7 . 1 1 5 5 VAL H H 1 9.319 . . . . . . A 5 VAL H . 25601 1 8 . 1 1 5 5 VAL N N 15 121.503 . . . . . . A 5 VAL N . 25601 1 9 . 1 1 6 6 LYS H H 1 9.000 . . . . . . A 6 LYS H . 25601 1 10 . 1 1 6 6 LYS N N 15 128.142 . . . . . . A 6 LYS N . 25601 1 11 . 1 1 7 7 THR H H 1 8.744 . . . . . . A 7 THR H . 25601 1 12 . 1 1 7 7 THR N N 15 115.457 . . . . . . A 7 THR N . 25601 1 13 . 1 1 8 8 LEU H H 1 9.117 . . . . . . A 8 LEU H . 25601 1 14 . 1 1 8 8 LEU N N 15 121.449 . . . . . . A 8 LEU N . 25601 1 15 . 1 1 9 9 THR H H 1 7.656 . . . . . . A 9 THR H . 25601 1 16 . 1 1 9 9 THR N N 15 126.497 . . . . . . A 9 THR N . 25601 1 17 . 1 1 10 10 GLY H H 1 7.849 . . . . . . A 10 GLY H . 25601 1 18 . 1 1 10 10 GLY N N 15 109.346 . . . . . . A 10 GLY N . 25601 1 19 . 1 1 11 11 LYS H H 1 7.297 . . . . . . A 11 LYS H . 25601 1 20 . 1 1 11 11 LYS N N 15 122.051 . . . . . . A 11 LYS N . 25601 1 21 . 1 1 12 12 THR H H 1 8.629 . . . . . . A 12 THR H . 25601 1 22 . 1 1 12 12 THR N N 15 120.723 . . . . . . A 12 THR N . 25601 1 23 . 1 1 13 13 ILE H H 1 9.583 . . . . . . A 13 ILE H . 25601 1 24 . 1 1 13 13 ILE N N 15 127.909 . . . . . . A 13 ILE N . 25601 1 25 . 1 1 14 14 THR H H 1 8.728 . . . . . . A 14 THR H . 25601 1 26 . 1 1 14 14 THR N N 15 121.861 . . . . . . A 14 THR N . 25601 1 27 . 1 1 15 15 LEU H H 1 8.739 . . . . . . A 15 LEU H . 25601 1 28 . 1 1 15 15 LEU N N 15 125.293 . . . . . . A 15 LEU N . 25601 1 29 . 1 1 16 16 GLU H H 1 8.139 . . . . . . A 16 GLU H . 25601 1 30 . 1 1 16 16 GLU N N 15 122.763 . . . . . . A 16 GLU N . 25601 1 31 . 1 1 17 17 VAL H H 1 8.944 . . . . . . A 17 VAL H . 25601 1 32 . 1 1 17 17 VAL N N 15 117.729 . . . . . . A 17 VAL N . 25601 1 33 . 1 1 18 18 GLU H H 1 8.700 . . . . . . A 18 GLU H . 25601 1 34 . 1 1 18 18 GLU N N 15 119.594 . . . . . . A 18 GLU N . 25601 1 35 . 1 1 20 20 SER H H 1 7.050 . . . . . . A 20 SER H . 25601 1 36 . 1 1 20 20 SER N N 15 124.154 . . . . . . A 20 SER N . 25601 1 37 . 1 1 21 21 ASP H H 1 8.070 . . . . . . A 21 ASP H . 25601 1 38 . 1 1 21 21 ASP N N 15 124.036 . . . . . . A 21 ASP N . 25601 1 39 . 1 1 22 22 THR H H 1 7.886 . . . . . . A 22 THR H . 25601 1 40 . 1 1 22 22 THR N N 15 109.090 . . . . . . A 22 THR N . 25601 1 41 . 1 1 23 23 ILE H H 1 8.536 . . . . . . A 23 ILE H . 25601 1 42 . 1 1 23 23 ILE N N 15 121.455 . . . . . . A 23 ILE N . 25601 1 43 . 1 1 25 25 CYS H H 1 7.940 . . . . . . A 25 CYS H . 25601 1 44 . 1 1 25 25 CYS N N 15 121.510 . . . . . . A 25 CYS N . 25601 1 45 . 1 1 26 26 VAL H H 1 8.123 . . . . . . A 26 VAL H . 25601 1 46 . 1 1 26 26 VAL N N 15 122.322 . . . . . . A 26 VAL N . 25601 1 47 . 1 1 27 27 LYS H H 1 8.571 . . . . . . A 27 LYS H . 25601 1 48 . 1 1 27 27 LYS N N 15 119.098 . . . . . . A 27 LYS N . 25601 1 49 . 1 1 28 28 ALA H H 1 7.998 . . . . . . A 28 ALA H . 25601 1 50 . 1 1 28 28 ALA N N 15 123.566 . . . . . . A 28 ALA N . 25601 1 51 . 1 1 29 29 LYS H H 1 7.892 . . . . . . A 29 LYS H . 25601 1 52 . 1 1 29 29 LYS N N 15 120.388 . . . . . . A 29 LYS N . 25601 1 53 . 1 1 30 30 ILE H H 1 8.303 . . . . . . A 30 ILE H . 25601 1 54 . 1 1 30 30 ILE N N 15 121.472 . . . . . . A 30 ILE N . 25601 1 55 . 1 1 31 31 GLN H H 1 8.569 . . . . . . A 31 GLN H . 25601 1 56 . 1 1 31 31 GLN N N 15 123.713 . . . . . . A 31 GLN N . 25601 1 57 . 1 1 32 32 ASP H H 1 8.039 . . . . . . A 32 ASP H . 25601 1 58 . 1 1 32 32 ASP N N 15 119.932 . . . . . . A 32 ASP N . 25601 1 59 . 1 1 33 33 LYS H H 1 7.473 . . . . . . A 33 LYS H . 25601 1 60 . 1 1 33 33 LYS N N 15 115.669 . . . . . . A 33 LYS N . 25601 1 61 . 1 1 34 34 GLU H H 1 8.740 . . . . . . A 34 GLU H . 25601 1 62 . 1 1 34 34 GLU N N 15 114.495 . . . . . . A 34 GLU N . 25601 1 63 . 1 1 35 35 GLY H H 1 8.502 . . . . . . A 35 GLY H . 25601 1 64 . 1 1 35 35 GLY N N 15 108.947 . . . . . . A 35 GLY N . 25601 1 65 . 1 1 36 36 ILE H H 1 6.186 . . . . . . A 36 ILE H . 25601 1 66 . 1 1 36 36 ILE N N 15 120.438 . . . . . . A 36 ILE N . 25601 1 67 . 1 1 39 39 ASP H H 1 8.554 . . . . . . A 39 ASP H . 25601 1 68 . 1 1 39 39 ASP N N 15 113.748 . . . . . . A 39 ASP N . 25601 1 69 . 1 1 40 40 GLN H H 1 7.841 . . . . . . A 40 GLN H . 25601 1 70 . 1 1 40 40 GLN N N 15 117.015 . . . . . . A 40 GLN N . 25601 1 71 . 1 1 41 41 GLN H H 1 7.494 . . . . . . A 41 GLN H . 25601 1 72 . 1 1 41 41 GLN N N 15 118.149 . . . . . . A 41 GLN N . 25601 1 73 . 1 1 42 42 ARG H H 1 8.514 . . . . . . A 42 ARG H . 25601 1 74 . 1 1 42 42 ARG N N 15 123.178 . . . . . . A 42 ARG N . 25601 1 75 . 1 1 43 43 LEU H H 1 8.818 . . . . . . A 43 LEU H . 25601 1 76 . 1 1 43 43 LEU N N 15 124.593 . . . . . . A 43 LEU N . 25601 1 77 . 1 1 44 44 ILE H H 1 9.155 . . . . . . A 44 ILE H . 25601 1 78 . 1 1 44 44 ILE N N 15 122.637 . . . . . . A 44 ILE N . 25601 1 79 . 1 1 45 45 PHE H H 1 8.865 . . . . . . A 45 PHE H . 25601 1 80 . 1 1 45 45 PHE N N 15 125.152 . . . . . . A 45 PHE N . 25601 1 81 . 1 1 46 46 ALA H H 1 8.986 . . . . . . A 46 ALA H . 25601 1 82 . 1 1 46 46 ALA N N 15 112.473 . . . . . . A 46 ALA N . 25601 1 83 . 1 1 47 47 GLY H H 1 8.094 . . . . . . A 47 GLY H . 25601 1 84 . 1 1 47 47 GLY N N 15 123.105 . . . . . . A 47 GLY N . 25601 1 85 . 1 1 48 48 CYS H H 1 8.001 . . . . . . A 48 CYS H . 25601 1 86 . 1 1 48 48 CYS N N 15 122.066 . . . . . . A 48 CYS N . 25601 1 87 . 1 1 49 49 GLN H H 1 8.641 . . . . . . A 49 GLN H . 25601 1 88 . 1 1 49 49 GLN N N 15 123.249 . . . . . . A 49 GLN N . 25601 1 89 . 1 1 50 50 LEU H H 1 8.576 . . . . . . A 50 LEU H . 25601 1 90 . 1 1 50 50 LEU N N 15 125.854 . . . . . . A 50 LEU N . 25601 1 91 . 1 1 51 51 GLU H H 1 8.391 . . . . . . A 51 GLU H . 25601 1 92 . 1 1 51 51 GLU N N 15 123.307 . . . . . . A 51 GLU N . 25601 1 93 . 1 1 52 52 ASP H H 1 8.166 . . . . . . A 52 ASP H . 25601 1 94 . 1 1 52 52 ASP N N 15 120.548 . . . . . . A 52 ASP N . 25601 1 95 . 1 1 54 54 ARG H H 1 7.484 . . . . . . A 54 ARG H . 25601 1 96 . 1 1 54 54 ARG N N 15 119.451 . . . . . . A 54 ARG N . 25601 1 97 . 1 1 55 55 THR H H 1 8.854 . . . . . . A 55 THR H . 25601 1 98 . 1 1 55 55 THR N N 15 109.015 . . . . . . A 55 THR N . 25601 1 99 . 1 1 56 56 LEU H H 1 8.180 . . . . . . A 56 LEU H . 25601 1 100 . 1 1 56 56 LEU N N 15 118.234 . . . . . . A 56 LEU N . 25601 1 101 . 1 1 57 57 SER H H 1 8.485 . . . . . . A 57 SER H . 25601 1 102 . 1 1 57 57 SER N N 15 113.618 . . . . . . A 57 SER N . 25601 1 103 . 1 1 58 58 ASP H H 1 7.948 . . . . . . A 58 ASP H . 25601 1 104 . 1 1 58 58 ASP N N 15 124.626 . . . . . . A 58 ASP N . 25601 1 105 . 1 1 59 59 TYR H H 1 7.285 . . . . . . A 59 TYR H . 25601 1 106 . 1 1 59 59 TYR N N 15 115.893 . . . . . . A 59 TYR N . 25601 1 107 . 1 1 60 60 ASN H H 1 8.169 . . . . . . A 60 ASN H . 25601 1 108 . 1 1 60 60 ASN N N 15 116.048 . . . . . . A 60 ASN N . 25601 1 109 . 1 1 61 61 ILE H H 1 7.260 . . . . . . A 61 ILE H . 25601 1 110 . 1 1 61 61 ILE N N 15 119.076 . . . . . . A 61 ILE N . 25601 1 111 . 1 1 62 62 GLN H H 1 7.653 . . . . . . A 62 GLN H . 25601 1 112 . 1 1 62 62 GLN N N 15 125.061 . . . . . . A 62 GLN N . 25601 1 113 . 1 1 63 63 LYS H H 1 8.479 . . . . . . A 63 LYS H . 25601 1 114 . 1 1 63 63 LYS N N 15 120.622 . . . . . . A 63 LYS N . 25601 1 115 . 1 1 64 64 GLU H H 1 9.316 . . . . . . A 64 GLU H . 25601 1 116 . 1 1 64 64 GLU N N 15 115.279 . . . . . . A 64 GLU N . 25601 1 117 . 1 1 65 65 SER H H 1 7.742 . . . . . . A 65 SER H . 25601 1 118 . 1 1 65 65 SER N N 15 115.102 . . . . . . A 65 SER N . 25601 1 119 . 1 1 66 66 THR H H 1 8.699 . . . . . . A 66 THR H . 25601 1 120 . 1 1 66 66 THR N N 15 117.565 . . . . . . A 66 THR N . 25601 1 121 . 1 1 67 67 LEU H H 1 9.427 . . . . . . A 67 LEU H . 25601 1 122 . 1 1 67 67 LEU N N 15 127.940 . . . . . . A 67 LEU N . 25601 1 123 . 1 1 68 68 HIS H H 1 9.241 . . . . . . A 68 HIS H . 25601 1 124 . 1 1 68 68 HIS N N 15 119.784 . . . . . . A 68 HIS N . 25601 1 125 . 1 1 69 69 LEU H H 1 8.322 . . . . . . A 69 LEU H . 25601 1 126 . 1 1 69 69 LEU N N 15 124.014 . . . . . . A 69 LEU N . 25601 1 127 . 1 1 70 70 VAL H H 1 9.197 . . . . . . A 70 VAL H . 25601 1 128 . 1 1 70 70 VAL N N 15 127.016 . . . . . . A 70 VAL N . 25601 1 129 . 1 1 71 71 LEU H H 1 8.116 . . . . . . A 71 LEU H . 25601 1 130 . 1 1 71 71 LEU N N 15 123.344 . . . . . . A 71 LEU N . 25601 1 131 . 1 1 72 72 ARG H H 1 8.624 . . . . . . A 72 ARG H . 25601 1 132 . 1 1 72 72 ARG N N 15 123.792 . . . . . . A 72 ARG N . 25601 1 133 . 1 1 73 73 LEU H H 1 8.352 . . . . . . A 73 LEU H . 25601 1 134 . 1 1 73 73 LEU N N 15 124.467 . . . . . . A 73 LEU N . 25601 1 135 . 1 1 74 74 ARG H H 1 8.487 . . . . . . A 74 ARG H . 25601 1 136 . 1 1 74 74 ARG N N 15 122.301 . . . . . . A 74 ARG N . 25601 1 137 . 1 1 75 75 GLY H H 1 8.568 . . . . . . A 75 GLY H . 25601 1 138 . 1 1 75 75 GLY N N 15 111.035 . . . . . . A 75 GLY N . 25601 1 139 . 1 1 76 76 GLY H H 1 8.357 . . . . . . A 76 GLY H . 25601 1 140 . 1 1 76 76 GLY N N 15 109.384 . . . . . . A 76 GLY N . 25601 1 141 . 2 2 2 2 GLN H H 1 8.915 . . . . . . B 2 GLN H . 25601 1 142 . 2 2 2 2 GLN N N 15 123.219 . . . . . . B 2 GLN N . 25601 1 143 . 2 2 3 3 ILE H H 1 8.328 . . . . . . B 3 ILE H . 25601 1 144 . 2 2 3 3 ILE N N 15 115.369 . . . . . . B 3 ILE N . 25601 1 145 . 2 2 4 4 PHE H H 1 8.624 . . . . . . B 4 PHE H . 25601 1 146 . 2 2 4 4 PHE N N 15 118.697 . . . . . . B 4 PHE N . 25601 1 147 . 2 2 5 5 VAL H H 1 9.319 . . . . . . B 5 VAL H . 25601 1 148 . 2 2 5 5 VAL N N 15 121.481 . . . . . . B 5 VAL N . 25601 1 149 . 2 2 6 6 LYS H H 1 8.968 . . . . . . B 6 LYS H . 25601 1 150 . 2 2 6 6 LYS N N 15 128.092 . . . . . . B 6 LYS N . 25601 1 151 . 2 2 7 7 THR H H 1 8.751 . . . . . . B 7 THR H . 25601 1 152 . 2 2 7 7 THR N N 15 115.578 . . . . . . B 7 THR N . 25601 1 153 . 2 2 8 8 LEU H H 1 9.110 . . . . . . B 8 LEU H . 25601 1 154 . 2 2 8 8 LEU N N 15 121.483 . . . . . . B 8 LEU N . 25601 1 155 . 2 2 9 9 THR H H 1 7.658 . . . . . . B 9 THR H . 25601 1 156 . 2 2 9 9 THR N N 15 126.534 . . . . . . B 9 THR N . 25601 1 157 . 2 2 10 10 GLY H H 1 7.846 . . . . . . B 10 GLY H . 25601 1 158 . 2 2 10 10 GLY N N 15 109.339 . . . . . . B 10 GLY N . 25601 1 159 . 2 2 11 11 LYS H H 1 7.294 . . . . . . B 11 LYS H . 25601 1 160 . 2 2 11 11 LYS N N 15 122.047 . . . . . . B 11 LYS N . 25601 1 161 . 2 2 12 12 THR H H 1 8.634 . . . . . . B 12 THR H . 25601 1 162 . 2 2 12 12 THR N N 15 120.746 . . . . . . B 12 THR N . 25601 1 163 . 2 2 13 13 ILE H H 1 9.563 . . . . . . B 13 ILE H . 25601 1 164 . 2 2 13 13 ILE N N 15 127.784 . . . . . . B 13 ILE N . 25601 1 165 . 2 2 14 14 THR H H 1 8.729 . . . . . . B 14 THR H . 25601 1 166 . 2 2 14 14 THR N N 15 121.832 . . . . . . B 14 THR N . 25601 1 167 . 2 2 15 15 LEU H H 1 8.744 . . . . . . B 15 LEU H . 25601 1 168 . 2 2 15 15 LEU N N 15 125.275 . . . . . . B 15 LEU N . 25601 1 169 . 2 2 16 16 GLU H H 1 8.144 . . . . . . B 16 GLU H . 25601 1 170 . 2 2 16 16 GLU N N 15 122.731 . . . . . . B 16 GLU N . 25601 1 171 . 2 2 17 17 VAL H H 1 8.936 . . . . . . B 17 VAL H . 25601 1 172 . 2 2 17 17 VAL N N 15 117.712 . . . . . . B 17 VAL N . 25601 1 173 . 2 2 18 18 GLU H H 1 8.700 . . . . . . B 18 GLU H . 25601 1 174 . 2 2 18 18 GLU N N 15 119.592 . . . . . . B 18 GLU N . 25601 1 175 . 2 2 20 20 SER H H 1 7.048 . . . . . . B 20 SER H . 25601 1 176 . 2 2 20 20 SER N N 15 124.154 . . . . . . B 20 SER N . 25601 1 177 . 2 2 21 21 ASP H H 1 8.063 . . . . . . B 21 ASP H . 25601 1 178 . 2 2 21 21 ASP N N 15 124.011 . . . . . . B 21 ASP N . 25601 1 179 . 2 2 22 22 THR H H 1 7.886 . . . . . . B 22 THR H . 25601 1 180 . 2 2 22 22 THR N N 15 109.100 . . . . . . B 22 THR N . 25601 1 181 . 2 2 23 23 ILE H H 1 8.541 . . . . . . B 23 ILE H . 25601 1 182 . 2 2 23 23 ILE N N 15 121.495 . . . . . . B 23 ILE N . 25601 1 183 . 2 2 25 25 ASN H H 1 7.941 . . . . . . B 25 ASN H . 25601 1 184 . 2 2 25 25 ASN N N 15 121.457 . . . . . . B 25 ASN N . 25601 1 185 . 2 2 26 26 VAL H H 1 8.122 . . . . . . B 26 VAL H . 25601 1 186 . 2 2 26 26 VAL N N 15 122.314 . . . . . . B 26 VAL N . 25601 1 187 . 2 2 27 27 LYS H H 1 8.573 . . . . . . B 27 LYS H . 25601 1 188 . 2 2 27 27 LYS N N 15 119.112 . . . . . . B 27 LYS N . 25601 1 189 . 2 2 28 28 ALA H H 1 8.004 . . . . . . B 28 ALA H . 25601 1 190 . 2 2 28 28 ALA N N 15 123.579 . . . . . . B 28 ALA N . 25601 1 191 . 2 2 29 29 LYS H H 1 7.887 . . . . . . B 29 LYS H . 25601 1 192 . 2 2 29 29 LYS N N 15 120.374 . . . . . . B 29 LYS N . 25601 1 193 . 2 2 30 30 ILE H H 1 8.299 . . . . . . B 30 ILE H . 25601 1 194 . 2 2 30 30 ILE N N 15 121.472 . . . . . . B 30 ILE N . 25601 1 195 . 2 2 31 31 GLN H H 1 8.572 . . . . . . B 31 GLN H . 25601 1 196 . 2 2 31 31 GLN N N 15 123.726 . . . . . . B 31 GLN N . 25601 1 197 . 2 2 32 32 ASP H H 1 8.038 . . . . . . B 32 ASP H . 25601 1 198 . 2 2 32 32 ASP N N 15 119.925 . . . . . . B 32 ASP N . 25601 1 199 . 2 2 33 33 LYS H H 1 7.472 . . . . . . B 33 LYS H . 25601 1 200 . 2 2 33 33 LYS N N 15 115.659 . . . . . . B 33 LYS N . 25601 1 201 . 2 2 34 34 GLU H H 1 8.743 . . . . . . B 34 GLU H . 25601 1 202 . 2 2 34 34 GLU N N 15 114.499 . . . . . . B 34 GLU N . 25601 1 203 . 2 2 35 35 GLY H H 1 8.511 . . . . . . B 35 GLY H . 25601 1 204 . 2 2 35 35 GLY N N 15 109.001 . . . . . . B 35 GLY N . 25601 1 205 . 2 2 36 36 ILE H H 1 6.182 . . . . . . B 36 ILE H . 25601 1 206 . 2 2 36 36 ILE N N 15 120.450 . . . . . . B 36 ILE N . 25601 1 207 . 2 2 39 39 ASP H H 1 8.545 . . . . . . B 39 ASP H . 25601 1 208 . 2 2 39 39 ASP N N 15 113.721 . . . . . . B 39 ASP N . 25601 1 209 . 2 2 40 40 GLN H H 1 7.828 . . . . . . B 40 GLN H . 25601 1 210 . 2 2 40 40 GLN N N 15 116.994 . . . . . . B 40 GLN N . 25601 1 211 . 2 2 41 41 GLN H H 1 7.487 . . . . . . B 41 GLN H . 25601 1 212 . 2 2 41 41 GLN N N 15 118.118 . . . . . . B 41 GLN N . 25601 1 213 . 2 2 42 42 ARG H H 1 8.531 . . . . . . B 42 ARG H . 25601 1 214 . 2 2 42 42 ARG N N 15 123.193 . . . . . . B 42 ARG N . 25601 1 215 . 2 2 43 43 LEU H H 1 8.821 . . . . . . B 43 LEU H . 25601 1 216 . 2 2 43 43 LEU N N 15 124.581 . . . . . . B 43 LEU N . 25601 1 217 . 2 2 44 44 ILE H H 1 9.136 . . . . . . B 44 ILE H . 25601 1 218 . 2 2 44 44 ILE N N 15 122.572 . . . . . . B 44 ILE N . 25601 1 219 . 2 2 45 45 PHE H H 1 8.858 . . . . . . B 45 PHE H . 25601 1 220 . 2 2 45 45 PHE N N 15 125.248 . . . . . . B 45 PHE N . 25601 1 221 . 2 2 46 46 ALA H H 1 8.947 . . . . . . B 46 ALA H . 25601 1 222 . 2 2 46 46 ALA N N 15 112.377 . . . . . . B 46 ALA N . 25601 1 223 . 2 2 47 47 GLY H H 1 8.105 . . . . . . B 47 GLY H . 25601 1 224 . 2 2 47 47 GLY N N 15 123.094 . . . . . . B 47 GLY N . 25601 1 225 . 2 2 48 48 LYS H H 1 7.995 . . . . . . B 48 LYS H . 25601 1 226 . 2 2 48 48 LYS N N 15 122.056 . . . . . . B 48 LYS N . 25601 1 227 . 2 2 49 49 GLN H H 1 8.637 . . . . . . B 49 GLN H . 25601 1 228 . 2 2 49 49 GLN N N 15 123.168 . . . . . . B 49 GLN N . 25601 1 229 . 2 2 50 50 LEU H H 1 8.580 . . . . . . B 50 LEU H . 25601 1 230 . 2 2 50 50 LEU N N 15 125.834 . . . . . . B 50 LEU N . 25601 1 231 . 2 2 51 51 GLU H H 1 8.399 . . . . . . B 51 GLU H . 25601 1 232 . 2 2 51 51 GLU N N 15 123.329 . . . . . . B 51 GLU N . 25601 1 233 . 2 2 52 52 ASP H H 1 8.170 . . . . . . B 52 ASP H . 25601 1 234 . 2 2 52 52 ASP N N 15 120.565 . . . . . . B 52 ASP N . 25601 1 235 . 2 2 54 54 ARG H H 1 7.489 . . . . . . B 54 ARG H . 25601 1 236 . 2 2 54 54 ARG N N 15 119.478 . . . . . . B 54 ARG N . 25601 1 237 . 2 2 55 55 THR H H 1 8.849 . . . . . . B 55 THR H . 25601 1 238 . 2 2 55 55 THR N N 15 109.001 . . . . . . B 55 THR N . 25601 1 239 . 2 2 56 56 LEU H H 1 8.172 . . . . . . B 56 LEU H . 25601 1 240 . 2 2 56 56 LEU N N 15 118.246 . . . . . . B 56 LEU N . 25601 1 241 . 2 2 57 57 SER H H 1 8.472 . . . . . . B 57 SER H . 25601 1 242 . 2 2 57 57 SER N N 15 113.579 . . . . . . B 57 SER N . 25601 1 243 . 2 2 58 58 ASP H H 1 7.952 . . . . . . B 58 ASP H . 25601 1 244 . 2 2 58 58 ASP N N 15 124.650 . . . . . . B 58 ASP N . 25601 1 245 . 2 2 59 59 TYR H H 1 7.281 . . . . . . B 59 TYR H . 25601 1 246 . 2 2 59 59 TYR N N 15 115.888 . . . . . . B 59 TYR N . 25601 1 247 . 2 2 60 60 ASN H H 1 8.171 . . . . . . B 60 ASN H . 25601 1 248 . 2 2 60 60 ASN N N 15 116.035 . . . . . . B 60 ASN N . 25601 1 249 . 2 2 61 61 ILE H H 1 7.254 . . . . . . B 61 ILE H . 25601 1 250 . 2 2 61 61 ILE N N 15 119.008 . . . . . . B 61 ILE N . 25601 1 251 . 2 2 62 62 GLN H H 1 7.632 . . . . . . B 62 GLN H . 25601 1 252 . 2 2 62 62 GLN N N 15 125.173 . . . . . . B 62 GLN N . 25601 1 253 . 2 2 63 63 LYS H H 1 8.415 . . . . . . B 63 LYS H . 25601 1 254 . 2 2 63 63 LYS N N 15 121.083 . . . . . . B 63 LYS N . 25601 1 255 . 2 2 64 64 GLU H H 1 9.257 . . . . . . B 64 GLU H . 25601 1 256 . 2 2 64 64 GLU N N 15 114.474 . . . . . . B 64 GLU N . 25601 1 257 . 2 2 65 65 SER H H 1 7.705 . . . . . . B 65 SER H . 25601 1 258 . 2 2 65 65 SER N N 15 115.014 . . . . . . B 65 SER N . 25601 1 259 . 2 2 66 66 THR H H 1 8.709 . . . . . . B 66 THR H . 25601 1 260 . 2 2 66 66 THR N N 15 117.578 . . . . . . B 66 THR N . 25601 1 261 . 2 2 67 67 LEU H H 1 9.428 . . . . . . B 67 LEU H . 25601 1 262 . 2 2 67 67 LEU N N 15 127.831 . . . . . . B 67 LEU N . 25601 1 263 . 2 2 68 68 HIS H H 1 9.244 . . . . . . B 68 HIS H . 25601 1 264 . 2 2 68 68 HIS N N 15 119.560 . . . . . . B 68 HIS N . 25601 1 265 . 2 2 69 69 LEU H H 1 8.325 . . . . . . B 69 LEU H . 25601 1 266 . 2 2 69 69 LEU N N 15 124.170 . . . . . . B 69 LEU N . 25601 1 267 . 2 2 70 70 VAL H H 1 9.198 . . . . . . B 70 VAL H . 25601 1 268 . 2 2 70 70 VAL N N 15 127.020 . . . . . . B 70 VAL N . 25601 1 269 . 2 2 71 71 LEU H H 1 8.105 . . . . . . B 71 LEU H . 25601 1 270 . 2 2 71 71 LEU N N 15 123.391 . . . . . . B 71 LEU N . 25601 1 stop_ save_