################################### # 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 26594 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26594 1 2 '3D CBCA(CO)NH' . . . 26594 1 3 '3D HNCACB' . . . 26594 1 4 '3D HNCO' . . . 26594 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 3 3 ARG C C 13 176.021 . . 1 . . . . 3 ARG C . 26594 1 2 . 1 1 4 4 GLN H H 1 8.561 . . 1 . . . . 4 GLN H . 26594 1 3 . 1 1 4 4 GLN C C 13 176.085 . . 1 . . . . 4 GLN C . 26594 1 4 . 1 1 4 4 GLN CA C 13 55.820 . . 1 . . . . 4 GLN CA . 26594 1 5 . 1 1 4 4 GLN CB C 13 29.550 . . 1 . . . . 4 GLN CB . 26594 1 6 . 1 1 4 4 GLN N N 15 122.885 . . 1 . . . . 4 GLN N . 26594 1 7 . 1 1 5 5 ALA H H 1 8.427 . . 1 . . . . 5 ALA H . 26594 1 8 . 1 1 5 5 ALA C C 13 177.542 . . 1 . . . . 5 ALA C . 26594 1 9 . 1 1 5 5 ALA CA C 13 52.770 . . 1 . . . . 5 ALA CA . 26594 1 10 . 1 1 5 5 ALA CB C 13 19.440 . . 1 . . . . 5 ALA CB . 26594 1 11 . 1 1 5 5 ALA N N 15 127.912 . . 1 . . . . 5 ALA N . 26594 1 12 . 1 1 6 6 TRP H H 1 8.611 . . 1 . . . . 6 TRP H . 26594 1 13 . 1 1 6 6 TRP C C 13 177.446 . . 1 . . . . 6 TRP C . 26594 1 14 . 1 1 6 6 TRP CA C 13 58.060 . . 1 . . . . 6 TRP CA . 26594 1 15 . 1 1 6 6 TRP CB C 13 28.850 . . 1 . . . . 6 TRP CB . 26594 1 16 . 1 1 6 6 TRP N N 15 122.899 . . 1 . . . . 6 TRP N . 26594 1 17 . 1 1 7 7 LEU H H 1 9.140 . . 1 . . . . 7 LEU H . 26594 1 18 . 1 1 7 7 LEU C C 13 178.881 . . 1 . . . . 7 LEU C . 26594 1 19 . 1 1 7 7 LEU CA C 13 54.050 . . 1 . . . . 7 LEU CA . 26594 1 20 . 1 1 7 7 LEU CB C 13 43.150 . . 1 . . . . 7 LEU CB . 26594 1 21 . 1 1 7 7 LEU N N 15 126.964 . . 1 . . . . 7 LEU N . 26594 1 22 . 1 1 8 8 TRP H H 1 9.039 . . 1 . . . . 8 TRP H . 26594 1 23 . 1 1 8 8 TRP C C 13 178.810 . . 1 . . . . 8 TRP C . 26594 1 24 . 1 1 8 8 TRP CA C 13 61.200 . . 1 . . . . 8 TRP CA . 26594 1 25 . 1 1 8 8 TRP CB C 13 28.850 . . 1 . . . . 8 TRP CB . 26594 1 26 . 1 1 8 8 TRP N N 15 124.562 . . 1 . . . . 8 TRP N . 26594 1 27 . 1 1 9 9 GLU H H 1 8.875 . . 1 . . . . 9 GLU H . 26594 1 28 . 1 1 9 9 GLU C C 13 178.529 . . 1 . . . . 9 GLU C . 26594 1 29 . 1 1 9 9 GLU CA C 13 59.910 . . 1 . . . . 9 GLU CA . 26594 1 30 . 1 1 9 9 GLU CB C 13 29.830 . . 1 . . . . 9 GLU CB . 26594 1 31 . 1 1 9 9 GLU N N 15 117.376 . . 1 . . . . 9 GLU N . 26594 1 32 . 1 1 10 10 GLU H H 1 7.164 . . 1 . . . . 10 GLU H . 26594 1 33 . 1 1 10 10 GLU C C 13 178.566 . . 1 . . . . 10 GLU C . 26594 1 34 . 1 1 10 10 GLU CA C 13 60.070 . . 1 . . . . 10 GLU CA . 26594 1 35 . 1 1 10 10 GLU CB C 13 32.400 . . 1 . . . . 10 GLU CB . 26594 1 36 . 1 1 10 10 GLU N N 15 116.878 . . 1 . . . . 10 GLU N . 26594 1 37 . 1 1 11 11 ASP H H 1 7.950 . . 1 . . . . 11 ASP H . 26594 1 38 . 1 1 11 11 ASP C C 13 179.095 . . 1 . . . . 11 ASP C . 26594 1 39 . 1 1 11 11 ASP CA C 13 57.800 . . 1 . . . . 11 ASP CA . 26594 1 40 . 1 1 11 11 ASP CB C 13 40.370 . . 1 . . . . 11 ASP CB . 26594 1 41 . 1 1 11 11 ASP N N 15 121.564 . . 1 . . . . 11 ASP N . 26594 1 42 . 1 1 12 12 LYS H H 1 8.155 . . 1 . . . . 12 LYS H . 26594 1 43 . 1 1 12 12 LYS C C 13 179.226 . . 1 . . . . 12 LYS C . 26594 1 44 . 1 1 12 12 LYS CA C 13 59.620 . . 1 . . . . 12 LYS CA . 26594 1 45 . 1 1 12 12 LYS CB C 13 31.990 . . 1 . . . . 12 LYS CB . 26594 1 46 . 1 1 12 12 LYS N N 15 120.344 . . 1 . . . . 12 LYS N . 26594 1 47 . 1 1 13 13 ASN H H 1 8.036 . . 1 . . . . 13 ASN H . 26594 1 48 . 1 1 13 13 ASN C C 13 176.752 . . 1 . . . . 13 ASN C . 26594 1 49 . 1 1 13 13 ASN CA C 13 55.240 . . 1 . . . . 13 ASN CA . 26594 1 50 . 1 1 13 13 ASN CB C 13 37.920 . . 1 . . . . 13 ASN CB . 26594 1 51 . 1 1 13 13 ASN N N 15 120.350 . . 1 . . . . 13 ASN N . 26594 1 52 . 1 1 14 14 LEU H H 1 8.781 . . 1 . . . . 14 LEU H . 26594 1 53 . 1 1 14 14 LEU C C 13 177.567 . . 1 . . . . 14 LEU C . 26594 1 54 . 1 1 14 14 LEU CA C 13 58.830 . . 1 . . . . 14 LEU CA . 26594 1 55 . 1 1 14 14 LEU CB C 13 42.790 . . 1 . . . . 14 LEU CB . 26594 1 56 . 1 1 14 14 LEU N N 15 122.791 . . 1 . . . . 14 LEU N . 26594 1 57 . 1 1 15 15 ARG H H 1 8.195 . . 1 . . . . 15 ARG H . 26594 1 58 . 1 1 15 15 ARG C C 13 179.762 . . 1 . . . . 15 ARG C . 26594 1 59 . 1 1 15 15 ARG CA C 13 60.600 . . 1 . . . . 15 ARG CA . 26594 1 60 . 1 1 15 15 ARG CB C 13 30.500 . . 1 . . . . 15 ARG CB . 26594 1 61 . 1 1 15 15 ARG N N 15 117.536 . . 1 . . . . 15 ARG N . 26594 1 62 . 1 1 16 16 SER H H 1 8.500 . . 1 . . . . 16 SER H . 26594 1 63 . 1 1 16 16 SER C C 13 176.637 . . 1 . . . . 16 SER C . 26594 1 64 . 1 1 16 16 SER CA C 13 61.600 . . 1 . . . . 16 SER CA . 26594 1 65 . 1 1 16 16 SER CB C 13 62.600 . . 1 . . . . 16 SER CB . 26594 1 66 . 1 1 16 16 SER N N 15 116.056 . . 1 . . . . 16 SER N . 26594 1 67 . 1 1 17 17 GLY H H 1 8.648 . . 1 . . . . 17 GLY H . 26594 1 68 . 1 1 17 17 GLY C C 13 175.311 . . 1 . . . . 17 GLY C . 26594 1 69 . 1 1 17 17 GLY CA C 13 48.020 . . 1 . . . . 17 GLY CA . 26594 1 70 . 1 1 17 17 GLY N N 15 111.136 . . 1 . . . . 17 GLY N . 26594 1 71 . 1 1 18 18 VAL H H 1 8.517 . . 1 . . . . 18 VAL H . 26594 1 72 . 1 1 18 18 VAL C C 13 179.116 . . 1 . . . . 18 VAL C . 26594 1 73 . 1 1 18 18 VAL CA C 13 66.600 . . 1 . . . . 18 VAL CA . 26594 1 74 . 1 1 18 18 VAL CB C 13 31.200 . . 1 . . . . 18 VAL CB . 26594 1 75 . 1 1 18 18 VAL N N 15 123.961 . . 1 . . . . 18 VAL N . 26594 1 76 . 1 1 19 19 ARG H H 1 7.546 . . 1 . . . . 19 ARG H . 26594 1 77 . 1 1 19 19 ARG C C 13 177.389 . . 1 . . . . 19 ARG C . 26594 1 78 . 1 1 19 19 ARG CA C 13 59.210 . . 1 . . . . 19 ARG CA . 26594 1 79 . 1 1 19 19 ARG CB C 13 29.790 . . 1 . . . . 19 ARG CB . 26594 1 80 . 1 1 19 19 ARG N N 15 120.070 . . 1 . . . . 19 ARG N . 26594 1 81 . 1 1 20 20 LYS H H 1 7.739 . . 1 . . . . 20 LYS H . 26594 1 82 . 1 1 20 20 LYS C C 13 177.660 . . 1 . . . . 20 LYS C . 26594 1 83 . 1 1 20 20 LYS CA C 13 58.980 . . 1 . . . . 20 LYS CA . 26594 1 84 . 1 1 20 20 LYS CB C 13 33.850 . . 1 . . . . 20 LYS CB . 26594 1 85 . 1 1 20 20 LYS N N 15 117.345 . . 1 . . . . 20 LYS N . 26594 1 86 . 1 1 21 21 TYR H H 1 8.761 . . 1 . . . . 21 TYR H . 26594 1 87 . 1 1 21 21 TYR C C 13 176.588 . . 1 . . . . 21 TYR C . 26594 1 88 . 1 1 21 21 TYR CA C 13 58.830 . . 1 . . . . 21 TYR CA . 26594 1 89 . 1 1 21 21 TYR CB C 13 39.410 . . 1 . . . . 21 TYR CB . 26594 1 90 . 1 1 21 21 TYR N N 15 114.146 . . 1 . . . . 21 TYR N . 26594 1 91 . 1 1 22 22 GLY H H 1 7.863 . . 1 . . . . 22 GLY H . 26594 1 92 . 1 1 22 22 GLY C C 13 173.076 . . 1 . . . . 22 GLY C . 26594 1 93 . 1 1 22 22 GLY CA C 13 44.440 . . 1 . . . . 22 GLY CA . 26594 1 94 . 1 1 22 22 GLY N N 15 110.723 . . 1 . . . . 22 GLY N . 26594 1 95 . 1 1 23 23 GLU H H 1 8.353 . . 1 . . . . 23 GLU H . 26594 1 96 . 1 1 23 23 GLU CA C 13 57.670 . . 1 . . . . 23 GLU CA . 26594 1 97 . 1 1 23 23 GLU CB C 13 29.910 . . 1 . . . . 23 GLU CB . 26594 1 98 . 1 1 23 23 GLU N N 15 120.586 . . 1 . . . . 23 GLU N . 26594 1 99 . 1 1 24 24 GLY C C 13 173.765 . . 1 . . . . 24 GLY C . 26594 1 100 . 1 1 24 24 GLY CA C 13 45.160 . . 1 . . . . 24 GLY CA . 26594 1 101 . 1 1 25 25 ASN H H 1 7.050 . . 1 . . . . 25 ASN H . 26594 1 102 . 1 1 25 25 ASN C C 13 175.727 . . 1 . . . . 25 ASN C . 26594 1 103 . 1 1 25 25 ASN CA C 13 51.690 . . 1 . . . . 25 ASN CA . 26594 1 104 . 1 1 25 25 ASN CB C 13 37.180 . . 1 . . . . 25 ASN CB . 26594 1 105 . 1 1 25 25 ASN N N 15 121.441 . . 1 . . . . 25 ASN N . 26594 1 106 . 1 1 26 26 TRP H H 1 6.629 . . 1 . . . . 26 TRP H . 26594 1 107 . 1 1 26 26 TRP C C 13 177.956 . . 1 . . . . 26 TRP C . 26594 1 108 . 1 1 26 26 TRP CA C 13 58.590 . . 1 . . . . 26 TRP CA . 26594 1 109 . 1 1 26 26 TRP CB C 13 30.450 . . 1 . . . . 26 TRP CB . 26594 1 110 . 1 1 26 26 TRP N N 15 118.150 . . 1 . . . . 26 TRP N . 26594 1 111 . 1 1 27 27 SER H H 1 8.737 . . 1 . . . . 27 SER H . 26594 1 112 . 1 1 27 27 SER C C 13 176.309 . . 1 . . . . 27 SER C . 26594 1 113 . 1 1 27 27 SER CA C 13 61.990 . . 1 . . . . 27 SER CA . 26594 1 114 . 1 1 27 27 SER N N 15 113.050 . . 1 . . . . 27 SER N . 26594 1 115 . 1 1 28 28 LYS H H 1 7.269 . . 1 . . . . 28 LYS H . 26594 1 116 . 1 1 28 28 LYS C C 13 178.755 . . 1 . . . . 28 LYS C . 26594 1 117 . 1 1 28 28 LYS CA C 13 59.180 . . 1 . . . . 28 LYS CA . 26594 1 118 . 1 1 28 28 LYS CB C 13 32.460 . . 1 . . . . 28 LYS CB . 26594 1 119 . 1 1 28 28 LYS N N 15 121.358 . . 1 . . . . 28 LYS N . 26594 1 120 . 1 1 29 29 ILE H H 1 7.477 . . 1 . . . . 29 ILE H . 26594 1 121 . 1 1 29 29 ILE C C 13 177.521 . . 1 . . . . 29 ILE C . 26594 1 122 . 1 1 29 29 ILE CA C 13 66.860 . . 1 . . . . 29 ILE CA . 26594 1 123 . 1 1 29 29 ILE CB C 13 38.650 . . 1 . . . . 29 ILE CB . 26594 1 124 . 1 1 29 29 ILE N N 15 119.844 . . 1 . . . . 29 ILE N . 26594 1 125 . 1 1 30 30 LEU H H 1 7.993 . . 1 . . . . 30 LEU H . 26594 1 126 . 1 1 30 30 LEU C C 13 177.393 . . 1 . . . . 30 LEU C . 26594 1 127 . 1 1 30 30 LEU CA C 13 57.730 . . 1 . . . . 30 LEU CA . 26594 1 128 . 1 1 30 30 LEU CB C 13 43.070 . . 1 . . . . 30 LEU CB . 26594 1 129 . 1 1 30 30 LEU N N 15 118.620 . . 1 . . . . 30 LEU N . 26594 1 130 . 1 1 31 31 LEU H H 1 7.227 . . 1 . . . . 31 LEU H . 26594 1 131 . 1 1 31 31 LEU C C 13 178.718 . . 1 . . . . 31 LEU C . 26594 1 132 . 1 1 31 31 LEU CA C 13 56.080 . . 1 . . . . 31 LEU CA . 26594 1 133 . 1 1 31 31 LEU CB C 13 43.040 . . 1 . . . . 31 LEU CB . 26594 1 134 . 1 1 31 31 LEU N N 15 113.516 . . 1 . . . . 31 LEU N . 26594 1 135 . 1 1 32 32 HIS H H 1 7.652 . . 1 . . . . 32 HIS H . 26594 1 136 . 1 1 32 32 HIS C C 13 173.256 . . 1 . . . . 32 HIS C . 26594 1 137 . 1 1 32 32 HIS CA C 13 57.500 . . 1 . . . . 32 HIS CA . 26594 1 138 . 1 1 32 32 HIS CB C 13 31.390 . . 1 . . . . 32 HIS CB . 26594 1 139 . 1 1 32 32 HIS N N 15 114.730 . . 1 . . . . 32 HIS N . 26594 1 140 . 1 1 33 33 TYR H H 1 7.855 . . 1 . . . . 33 TYR H . 26594 1 141 . 1 1 33 33 TYR C C 13 173.394 . . 1 . . . . 33 TYR C . 26594 1 142 . 1 1 33 33 TYR CA C 13 56.550 . . 1 . . . . 33 TYR CA . 26594 1 143 . 1 1 33 33 TYR CB C 13 41.780 . . 1 . . . . 33 TYR CB . 26594 1 144 . 1 1 33 33 TYR N N 15 117.198 . . 1 . . . . 33 TYR N . 26594 1 145 . 1 1 34 34 LYS H H 1 7.884 . . 1 . . . . 34 LYS H . 26594 1 146 . 1 1 34 34 LYS C C 13 175.606 . . 1 . . . . 34 LYS C . 26594 1 147 . 1 1 34 34 LYS CA C 13 56.520 . . 1 . . . . 34 LYS CA . 26594 1 148 . 1 1 34 34 LYS CB C 13 32.770 . . 1 . . . . 34 LYS CB . 26594 1 149 . 1 1 34 34 LYS N N 15 119.614 . . 1 . . . . 34 LYS N . 26594 1 150 . 1 1 35 35 PHE H H 1 8.450 . . 1 . . . . 35 PHE H . 26594 1 151 . 1 1 35 35 PHE C C 13 174.837 . . 1 . . . . 35 PHE C . 26594 1 152 . 1 1 35 35 PHE CA C 13 57.220 . . 1 . . . . 35 PHE CA . 26594 1 153 . 1 1 35 35 PHE CB C 13 42.100 . . 1 . . . . 35 PHE CB . 26594 1 154 . 1 1 35 35 PHE N N 15 123.369 . . 1 . . . . 35 PHE N . 26594 1 155 . 1 1 36 36 ASN H H 1 9.436 . . 1 . . . . 36 ASN H . 26594 1 156 . 1 1 36 36 ASN C C 13 173.516 . . 1 . . . . 36 ASN C . 26594 1 157 . 1 1 36 36 ASN CA C 13 51.950 . . 1 . . . . 36 ASN CA . 26594 1 158 . 1 1 36 36 ASN CB C 13 37.410 . . 1 . . . . 36 ASN CB . 26594 1 159 . 1 1 36 36 ASN N N 15 122.067 . . 1 . . . . 36 ASN N . 26594 1 160 . 1 1 37 37 ASN H H 1 8.401 . . 1 . . . . 37 ASN H . 26594 1 161 . 1 1 37 37 ASN C C 13 174.522 . . 1 . . . . 37 ASN C . 26594 1 162 . 1 1 37 37 ASN CA C 13 54.130 . . 1 . . . . 37 ASN CA . 26594 1 163 . 1 1 37 37 ASN CB C 13 37.410 . . 1 . . . . 37 ASN CB . 26594 1 164 . 1 1 37 37 ASN N N 15 120.696 . . 1 . . . . 37 ASN N . 26594 1 165 . 1 1 38 38 ARG H H 1 7.991 . . 1 . . . . 38 ARG H . 26594 1 166 . 1 1 38 38 ARG C C 13 175.705 . . 1 . . . . 38 ARG C . 26594 1 167 . 1 1 38 38 ARG CA C 13 52.250 . . 1 . . . . 38 ARG CA . 26594 1 168 . 1 1 38 38 ARG CB C 13 31.540 . . 1 . . . . 38 ARG CB . 26594 1 169 . 1 1 38 38 ARG N N 15 114.135 . . 1 . . . . 38 ARG N . 26594 1 170 . 1 1 39 39 THR H H 1 7.099 . . 1 . . . . 39 THR H . 26594 1 171 . 1 1 39 39 THR C C 13 176.048 . . 1 . . . . 39 THR C . 26594 1 172 . 1 1 39 39 THR CA C 13 59.160 . . 1 . . . . 39 THR CA . 26594 1 173 . 1 1 39 39 THR CB C 13 71.760 . . 1 . . . . 39 THR CB . 26594 1 174 . 1 1 39 39 THR N N 15 108.622 . . 1 . . . . 39 THR N . 26594 1 175 . 1 1 40 40 SER H H 1 9.245 . . 1 . . . . 40 SER H . 26594 1 176 . 1 1 40 40 SER C C 13 175.971 . . 1 . . . . 40 SER C . 26594 1 177 . 1 1 40 40 SER CA C 13 63.030 . . 1 . . . . 40 SER CA . 26594 1 178 . 1 1 40 40 SER N N 15 117.466 . . 1 . . . . 40 SER N . 26594 1 179 . 1 1 41 41 VAL H H 1 7.463 . . 1 . . . . 41 VAL H . 26594 1 180 . 1 1 41 41 VAL C C 13 176.975 . . 1 . . . . 41 VAL C . 26594 1 181 . 1 1 41 41 VAL CA C 13 65.390 . . 1 . . . . 41 VAL CA . 26594 1 182 . 1 1 41 41 VAL CB C 13 31.950 . . 1 . . . . 41 VAL CB . 26594 1 183 . 1 1 41 41 VAL N N 15 119.670 . . 1 . . . . 41 VAL N . 26594 1 184 . 1 1 42 42 MET H H 1 7.332 . . 1 . . . . 42 MET H . 26594 1 185 . 1 1 42 42 MET C C 13 179.317 . . 1 . . . . 42 MET C . 26594 1 186 . 1 1 42 42 MET CA C 13 59.130 . . 1 . . . . 42 MET CA . 26594 1 187 . 1 1 42 42 MET CB C 13 33.470 . . 1 . . . . 42 MET CB . 26594 1 188 . 1 1 42 42 MET N N 15 118.232 . . 1 . . . . 42 MET N . 26594 1 189 . 1 1 43 43 LEU H H 1 7.516 . . 1 . . . . 43 LEU H . 26594 1 190 . 1 1 43 43 LEU C C 13 176.447 . . 1 . . . . 43 LEU C . 26594 1 191 . 1 1 43 43 LEU CA C 13 58.890 . . 1 . . . . 43 LEU CA . 26594 1 192 . 1 1 43 43 LEU CB C 13 41.510 . . 1 . . . . 43 LEU CB . 26594 1 193 . 1 1 43 43 LEU N N 15 119.373 . . 1 . . . . 43 LEU N . 26594 1 194 . 1 1 44 44 LYS H H 1 6.839 . . 1 . . . . 44 LYS H . 26594 1 195 . 1 1 44 44 LYS C C 13 178.676 . . 1 . . . . 44 LYS C . 26594 1 196 . 1 1 44 44 LYS CA C 13 58.950 . . 1 . . . . 44 LYS CA . 26594 1 197 . 1 1 44 44 LYS CB C 13 31.400 . . 1 . . . . 44 LYS CB . 26594 1 198 . 1 1 44 44 LYS N N 15 119.552 . . 1 . . . . 44 LYS N . 26594 1 199 . 1 1 45 45 ASP H H 1 7.997 . . 1 . . . . 45 ASP H . 26594 1 200 . 1 1 45 45 ASP C C 13 178.680 . . 1 . . . . 45 ASP C . 26594 1 201 . 1 1 45 45 ASP CA C 13 57.050 . . 1 . . . . 45 ASP CA . 26594 1 202 . 1 1 45 45 ASP CB C 13 40.540 . . 1 . . . . 45 ASP CB . 26594 1 203 . 1 1 45 45 ASP N N 15 118.382 . . 1 . . . . 45 ASP N . 26594 1 204 . 1 1 46 46 ARG H H 1 7.916 . . 1 . . . . 46 ARG H . 26594 1 205 . 1 1 46 46 ARG CA C 13 56.970 . . 1 . . . . 46 ARG CA . 26594 1 206 . 1 1 46 46 ARG CB C 13 29.840 . . 1 . . . . 46 ARG CB . 26594 1 207 . 1 1 46 46 ARG N N 15 121.974 . . 1 . . . . 46 ARG N . 26594 1 208 . 1 1 47 47 TRP C C 13 177.142 . . 1 . . . . 47 TRP C . 26594 1 209 . 1 1 48 48 ARG H H 1 7.536 . . 1 . . . . 48 ARG H . 26594 1 210 . 1 1 48 48 ARG C C 13 178.391 . . 1 . . . . 48 ARG C . 26594 1 211 . 1 1 48 48 ARG CA C 13 59.180 . . 1 . . . . 48 ARG CA . 26594 1 212 . 1 1 48 48 ARG CB C 13 29.950 . . 1 . . . . 48 ARG CB . 26594 1 213 . 1 1 48 48 ARG N N 15 115.701 . . 1 . . . . 48 ARG N . 26594 1 214 . 1 1 49 49 THR H H 1 7.374 . . 1 . . . . 49 THR H . 26594 1 215 . 1 1 49 49 THR C C 13 175.597 . . 1 . . . . 49 THR C . 26594 1 216 . 1 1 49 49 THR CA C 13 64.090 . . 1 . . . . 49 THR CA . 26594 1 217 . 1 1 49 49 THR CB C 13 69.460 . . 1 . . . . 49 THR CB . 26594 1 218 . 1 1 49 49 THR N N 15 110.472 . . 1 . . . . 49 THR N . 26594 1 219 . 1 1 50 50 MET H H 1 7.710 . . 1 . . . . 50 MET H . 26594 1 220 . 1 1 50 50 MET C C 13 176.567 . . 1 . . . . 50 MET C . 26594 1 221 . 1 1 50 50 MET CA C 13 57.120 . . 1 . . . . 50 MET CA . 26594 1 222 . 1 1 50 50 MET CB C 13 33.430 . . 1 . . . . 50 MET CB . 26594 1 223 . 1 1 50 50 MET N N 15 121.343 . . 1 . . . . 50 MET N . 26594 1 224 . 1 1 51 51 LYS H H 1 7.651 . . 1 . . . . 51 LYS H . 26594 1 225 . 1 1 51 51 LYS C C 13 176.184 . . 1 . . . . 51 LYS C . 26594 1 226 . 1 1 51 51 LYS CA C 13 56.940 . . 1 . . . . 51 LYS CA . 26594 1 227 . 1 1 51 51 LYS CB C 13 32.180 . . 1 . . . . 51 LYS CB . 26594 1 228 . 1 1 51 51 LYS N N 15 120.098 . . 1 . . . . 51 LYS N . 26594 1 229 . 1 1 52 52 LYS H H 1 7.788 . . 1 . . . . 52 LYS H . 26594 1 230 . 1 1 52 52 LYS C C 13 175.341 . . 1 . . . . 52 LYS C . 26594 1 231 . 1 1 52 52 LYS CA C 13 57.120 . . 1 . . . . 52 LYS CA . 26594 1 232 . 1 1 52 52 LYS CB C 13 33.300 . . 1 . . . . 52 LYS CB . 26594 1 233 . 1 1 52 52 LYS N N 15 121.614 . . 1 . . . . 52 LYS N . 26594 1 234 . 1 1 53 53 LEU H H 1 7.586 . . 1 . . . . 53 LEU H . 26594 1 235 . 1 1 53 53 LEU CA C 13 56.600 . . 1 . . . . 53 LEU CA . 26594 1 236 . 1 1 53 53 LEU CB C 13 43.490 . . 1 . . . . 53 LEU CB . 26594 1 237 . 1 1 53 53 LEU N N 15 128.302 . . 1 . . . . 53 LEU N . 26594 1 stop_ save_