################################### # 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 36080 _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-15N HSQC' 1 $sample_1 isotropic 36080 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36080 1 3 '3D HNCA' 1 $sample_1 isotropic 36080 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 36080 1 5 'Hetronuclear NOE' 1 $sample_1 isotropic 36080 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36080 1 7 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36080 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 . 1 1 2 2 ARG H H 1 8.840 0.201 . . . . . . A 2 ARG H . 36080 1 2 . 1 1 2 2 ARG HA H 1 4.409 0.000 . . . . . . A 2 ARG HA . 36080 1 3 . 1 1 2 2 ARG HB2 H 1 1.747 0.000 . . . . . . A 2 ARG HB2 . 36080 1 4 . 1 1 2 2 ARG CA C 13 56.458 0.031 . . . . . . A 2 ARG CA . 36080 1 5 . 1 1 2 2 ARG N N 15 120.573 0.727 . . . . . . A 2 ARG N . 36080 1 6 . 1 1 3 3 ASN H H 1 8.511 0.029 . . . . . . A 3 ASN H . 36080 1 7 . 1 1 3 3 ASN HA H 1 4.884 0.000 . . . . . . A 3 ASN HA . 36080 1 8 . 1 1 3 3 ASN HB2 H 1 2.972 0.000 . . . . . . A 3 ASN HB2 . 36080 1 9 . 1 1 3 3 ASN CA C 13 52.466 0.020 . . . . . . A 3 ASN CA . 36080 1 10 . 1 1 3 3 ASN N N 15 118.687 1.164 . . . . . . A 3 ASN N . 36080 1 11 . 1 1 4 4 THR H H 1 8.521 0.084 . . . . . . A 4 THR H . 36080 1 12 . 1 1 4 4 THR HA H 1 3.765 0.000 . . . . . . A 4 THR HA . 36080 1 13 . 1 1 4 4 THR CA C 13 66.153 0.090 . . . . . . A 4 THR CA . 36080 1 14 . 1 1 4 4 THR N N 15 118.094 1.762 . . . . . . A 4 THR N . 36080 1 15 . 1 1 5 5 ARG H H 1 8.299 0.161 . . . . . . A 5 ARG H . 36080 1 16 . 1 1 5 5 ARG HA H 1 4.022 0.000 . . . . . . A 5 ARG HA . 36080 1 17 . 1 1 5 5 ARG CA C 13 59.738 0.014 . . . . . . A 5 ARG CA . 36080 1 18 . 1 1 5 5 ARG N N 15 120.357 0.325 . . . . . . A 5 ARG N . 36080 1 19 . 1 1 6 6 GLU H H 1 8.248 0.248 . . . . . . A 6 GLU H . 36080 1 20 . 1 1 6 6 GLU HA H 1 4.884 0.000 . . . . . . A 6 GLU HA . 36080 1 21 . 1 1 6 6 GLU HB2 H 1 2.947 0.000 . . . . . . A 6 GLU HB2 . 36080 1 22 . 1 1 6 6 GLU CA C 13 58.711 0.056 . . . . . . A 6 GLU CA . 36080 1 23 . 1 1 6 6 GLU N N 15 119.940 0.066 . . . . . . A 6 GLU N . 36080 1 24 . 1 1 7 7 VAL H H 1 8.319 0.256 . . . . . . A 7 VAL H . 36080 1 25 . 1 1 7 7 VAL HA H 1 4.884 0.000 . . . . . . A 7 VAL HA . 36080 1 26 . 1 1 7 7 VAL HB H 1 2.972 0.000 . . . . . . A 7 VAL HB . 36080 1 27 . 1 1 7 7 VAL CA C 13 66.476 0.000 . . . . . . A 7 VAL CA . 36080 1 28 . 1 1 7 7 VAL N N 15 120.044 0.000 . . . . . . A 7 VAL N . 36080 1 29 . 1 1 8 8 PHE H H 1 8.464 0.165 . . . . . . A 8 PHE H . 36080 1 30 . 1 1 8 8 PHE HA H 1 4.309 0.000 . . . . . . A 8 PHE HA . 36080 1 31 . 1 1 8 8 PHE CA C 13 62.229 1.032 . . . . . . A 8 PHE CA . 36080 1 32 . 1 1 8 8 PHE N N 15 120.213 2.023 . . . . . . A 8 PHE N . 36080 1 33 . 1 1 9 9 ALA H H 1 8.748 0.042 . . . . . . A 9 ALA H . 36080 1 34 . 1 1 9 9 ALA CA C 13 58.320 2.826 . . . . . . A 9 ALA CA . 36080 1 35 . 1 1 9 9 ALA N N 15 123.074 0.000 . . . . . . A 9 ALA N . 36080 1 36 . 1 1 10 10 GLN H H 1 7.875 0.229 . . . . . . A 10 GLN H . 36080 1 37 . 1 1 10 10 GLN HA H 1 4.272 0.000 . . . . . . A 10 GLN HA . 36080 1 38 . 1 1 10 10 GLN HB2 H 1 2.122 0.000 . . . . . . A 10 GLN HB2 . 36080 1 39 . 1 1 10 10 GLN CA C 13 58.049 0.844 . . . . . . A 10 GLN CA . 36080 1 40 . 1 1 10 10 GLN N N 15 118.803 0.742 . . . . . . A 10 GLN N . 36080 1 41 . 1 1 11 11 VAL H H 1 8.216 0.070 . . . . . . A 11 VAL H . 36080 1 42 . 1 1 11 11 VAL HA H 1 3.634 0.000 . . . . . . A 11 VAL HA . 36080 1 43 . 1 1 11 11 VAL CA C 13 66.564 0.119 . . . . . . A 11 VAL CA . 36080 1 44 . 1 1 11 11 VAL N N 15 119.387 0.657 . . . . . . A 11 VAL N . 36080 1 45 . 1 1 12 12 LYS H H 1 8.125 0.019 . . . . . . A 12 LYS H . 36080 1 46 . 1 1 12 12 LYS CA C 13 60.030 0.000 . . . . . . A 12 LYS CA . 36080 1 47 . 1 1 12 12 LYS N N 15 118.441 0.000 . . . . . . A 12 LYS N . 36080 1 48 . 1 1 13 13 GLN H H 1 7.938 0.014 . . . . . . A 13 GLN H . 36080 1 49 . 1 1 13 13 GLN HA H 1 4.190 0.000 . . . . . . A 13 GLN HA . 36080 1 50 . 1 1 13 13 GLN HB2 H 1 2.141 0.000 . . . . . . A 13 GLN HB2 . 36080 1 51 . 1 1 13 13 GLN N N 15 117.400 0.000 . . . . . . A 13 GLN N . 36080 1 52 . 1 1 14 14 MET H H 1 8.665 0.002 . . . . . . A 14 MET H . 36080 1 53 . 1 1 14 14 MET CA C 13 60.782 0.008 . . . . . . A 14 MET CA . 36080 1 54 . 1 1 14 14 MET N N 15 120.872 0.000 . . . . . . A 14 MET N . 36080 1 55 . 1 1 15 15 TYR H H 1 8.530 0.258 . . . . . . A 15 TYR H . 36080 1 56 . 1 1 15 15 TYR HA H 1 4.472 0.000 . . . . . . A 15 TYR HA . 36080 1 57 . 1 1 15 15 TYR HB2 H 1 1.772 0.000 . . . . . . A 15 TYR HB2 . 36080 1 58 . 1 1 15 15 TYR CA C 13 56.523 0.237 . . . . . . A 15 TYR CA . 36080 1 59 . 1 1 15 15 TYR N N 15 120.520 0.557 . . . . . . A 15 TYR N . 36080 1 60 . 1 1 16 16 LYS H H 1 8.022 0.140 . . . . . . A 16 LYS H . 36080 1 61 . 1 1 16 16 LYS HA H 1 4.122 0.000 . . . . . . A 16 LYS HA . 36080 1 62 . 1 1 16 16 LYS HB2 H 1 1.697 0.000 . . . . . . A 16 LYS HB2 . 36080 1 63 . 1 1 16 16 LYS CA C 13 58.329 0.059 . . . . . . A 16 LYS CA . 36080 1 64 . 1 1 16 16 LYS N N 15 119.512 0.203 . . . . . . A 16 LYS N . 36080 1 65 . 1 1 17 17 THR H H 1 7.785 0.000 . . . . . . A 17 THR H . 36080 1 66 . 1 1 17 17 THR HA H 1 4.397 0.000 . . . . . . A 17 THR HA . 36080 1 67 . 1 1 17 17 THR HB H 1 3.034 0.000 . . . . . . A 17 THR HB . 36080 1 68 . 1 1 17 17 THR CA C 13 60.005 0.000 . . . . . . A 17 THR CA . 36080 1 69 . 1 1 17 17 THR N N 15 119.164 0.014 . . . . . . A 17 THR N . 36080 1 70 . 1 1 19 19 THR H H 1 8.070 0.002 . . . . . . A 19 THR H . 36080 1 71 . 1 1 19 19 THR CA C 13 62.258 0.053 . . . . . . A 19 THR CA . 36080 1 72 . 1 1 19 19 THR N N 15 123.178 0.000 . . . . . . A 19 THR N . 36080 1 73 . 1 1 20 20 LEU H H 1 8.087 0.045 . . . . . . A 20 LEU H . 36080 1 74 . 1 1 20 20 LEU HA H 1 4.297 0.000 . . . . . . A 20 LEU HA . 36080 1 75 . 1 1 20 20 LEU HB2 H 1 1.722 0.000 . . . . . . A 20 LEU HB2 . 36080 1 76 . 1 1 20 20 LEU CA C 13 55.147 0.040 . . . . . . A 20 LEU CA . 36080 1 77 . 1 1 20 20 LEU N N 15 123.240 0.098 . . . . . . A 20 LEU N . 36080 1 78 . 1 1 21 21 LYS H H 1 8.044 0.013 . . . . . . A 21 LYS H . 36080 1 79 . 1 1 21 21 LYS HA H 1 4.334 0.000 . . . . . . A 21 LYS HA . 36080 1 80 . 1 1 21 21 LYS HB2 H 1 1.322 0.000 . . . . . . A 21 LYS HB2 . 36080 1 81 . 1 1 21 21 LYS CA C 13 52.345 0.000 . . . . . . A 21 LYS CA . 36080 1 82 . 1 1 21 21 LYS N N 15 123.396 0.000 . . . . . . A 21 LYS N . 36080 1 83 . 1 1 22 22 TYR H H 1 7.831 0.060 . . . . . . A 22 TYR H . 36080 1 84 . 1 1 22 22 TYR HA H 1 4.147 0.000 . . . . . . A 22 TYR HA . 36080 1 85 . 1 1 22 22 TYR HB2 H 1 1.722 0.000 . . . . . . A 22 TYR HB2 . 36080 1 86 . 1 1 22 22 TYR CA C 13 59.942 0.062 . . . . . . A 22 TYR CA . 36080 1 87 . 1 1 22 22 TYR N N 15 118.048 1.346 . . . . . . A 22 TYR N . 36080 1 88 . 1 1 23 23 PHE H H 1 7.946 0.012 . . . . . . A 23 PHE H . 36080 1 89 . 1 1 23 23 PHE HA H 1 4.534 0.000 . . . . . . A 23 PHE HA . 36080 1 90 . 1 1 23 23 PHE CA C 13 58.718 0.021 . . . . . . A 23 PHE CA . 36080 1 91 . 1 1 23 23 PHE N N 15 112.774 4.448 . . . . . . A 23 PHE N . 36080 1 92 . 1 1 24 24 GLY H H 1 8.005 0.085 . . . . . . A 24 GLY H . 36080 1 93 . 1 1 24 24 GLY HA2 H 1 3.909 0.000 . . . . . . A 24 GLY HA2 . 36080 1 94 . 1 1 24 24 GLY CA C 13 46.458 0.026 . . . . . . A 24 GLY CA . 36080 1 95 . 1 1 24 24 GLY N N 15 106.999 0.730 . . . . . . A 24 GLY N . 36080 1 96 . 1 1 25 25 GLY H H 1 8.017 0.223 . . . . . . A 25 GLY H . 36080 1 97 . 1 1 25 25 GLY HA3 H 1 3.909 0.000 . . . . . . A 25 GLY HA3 . 36080 1 98 . 1 1 25 25 GLY CA C 13 45.153 0.020 . . . . . . A 25 GLY CA . 36080 1 99 . 1 1 25 25 GLY N N 15 112.044 5.674 . . . . . . A 25 GLY N . 36080 1 100 . 1 1 26 26 PHE H H 1 7.800 0.219 . . . . . . A 26 PHE H . 36080 1 101 . 1 1 26 26 PHE HA H 1 4.372 0.000 . . . . . . A 26 PHE HA . 36080 1 102 . 1 1 26 26 PHE HB2 H 1 2.859 0.000 . . . . . . A 26 PHE HB2 . 36080 1 103 . 1 1 26 26 PHE CA C 13 57.906 0.025 . . . . . . A 26 PHE CA . 36080 1 104 . 1 1 26 26 PHE N N 15 120.326 0.406 . . . . . . A 26 PHE N . 36080 1 105 . 1 1 27 27 ASN H H 1 8.291 0.175 . . . . . . A 27 ASN H . 36080 1 106 . 1 1 27 27 ASN HA H 1 4.709 0.000 . . . . . . A 27 ASN HA . 36080 1 107 . 1 1 27 27 ASN HB2 H 1 2.785 0.000 . . . . . . A 27 ASN HB2 . 36080 1 108 . 1 1 27 27 ASN CA C 13 52.090 0.022 . . . . . . A 27 ASN CA . 36080 1 109 . 1 1 27 27 ASN N N 15 121.334 0.579 . . . . . . A 27 ASN N . 36080 1 110 . 1 1 28 28 PHE H H 1 8.563 0.056 . . . . . . A 28 PHE H . 36080 1 111 . 1 1 28 28 PHE HA H 1 4.259 0.000 . . . . . . A 28 PHE HA . 36080 1 112 . 1 1 28 28 PHE HB2 H 1 3.147 0.000 . . . . . . A 28 PHE HB2 . 36080 1 113 . 1 1 28 28 PHE CA C 13 60.630 0.041 . . . . . . A 28 PHE CA . 36080 1 114 . 1 1 28 28 PHE N N 15 119.959 3.620 . . . . . . A 28 PHE N . 36080 1 115 . 1 1 29 29 SER H H 1 8.477 0.016 . . . . . . A 29 SER H . 36080 1 116 . 1 1 29 29 SER HA H 1 4.147 0.000 . . . . . . A 29 SER HA . 36080 1 117 . 1 1 29 29 SER CA C 13 61.195 0.000 . . . . . . A 29 SER CA . 36080 1 118 . 1 1 29 29 SER N N 15 114.235 0.000 . . . . . . A 29 SER N . 36080 1 119 . 1 1 30 30 GLN H H 1 7.882 0.000 . . . . . . A 30 GLN H . 36080 1 120 . 1 1 30 30 GLN CA C 13 56.782 0.001 . . . . . . A 30 GLN CA . 36080 1 121 . 1 1 30 30 GLN N N 15 116.580 0.000 . . . . . . A 30 GLN N . 36080 1 122 . 1 1 31 31 ILE H H 1 7.523 0.060 . . . . . . A 31 ILE H . 36080 1 123 . 1 1 31 31 ILE HA H 1 4.234 0.000 . . . . . . A 31 ILE HA . 36080 1 124 . 1 1 31 31 ILE HB H 1 1.897 0.000 . . . . . . A 31 ILE HB . 36080 1 125 . 1 1 31 31 ILE CA C 13 61.546 0.041 . . . . . . A 31 ILE CA . 36080 1 126 . 1 1 31 31 ILE N N 15 116.470 2.205 . . . . . . A 31 ILE N . 36080 1 127 . 1 1 32 32 LEU H H 1 7.446 0.027 . . . . . . A 32 LEU H . 36080 1 128 . 1 1 32 32 LEU HB2 H 1 1.685 0.000 . . . . . . A 32 LEU HB2 . 36080 1 129 . 1 1 32 32 LEU CA C 13 52.618 0.000 . . . . . . A 32 LEU CA . 36080 1 130 . 1 1 32 32 LEU N N 15 119.957 0.000 . . . . . . A 32 LEU N . 36080 1 131 . 1 1 38 38 PRO CA C 13 64.418 0.000 . . . . . . A 38 PRO CA . 36080 1 132 . 1 1 39 39 THR H H 1 7.753 0.009 . . . . . . A 39 THR H . 36080 1 133 . 1 1 39 39 THR HA H 1 4.272 0.000 . . . . . . A 39 THR HA . 36080 1 134 . 1 1 39 39 THR CA C 13 63.848 0.000 . . . . . . A 39 THR CA . 36080 1 135 . 1 1 39 39 THR N N 15 113.743 0.000 . . . . . . A 39 THR N . 36080 1 136 . 1 1 40 40 LYS H H 1 8.229 0.002 . . . . . . A 40 LYS H . 36080 1 137 . 1 1 40 40 LYS CA C 13 58.442 0.026 . . . . . . A 40 LYS CA . 36080 1 138 . 1 1 40 40 LYS N N 15 115.876 0.000 . . . . . . A 40 LYS N . 36080 1 139 . 1 1 41 41 ARG HA H 1 4.484 0.000 . . . . . . A 41 ARG HA . 36080 1 140 . 1 1 41 41 ARG CA C 13 60.021 0.011 . . . . . . A 41 ARG CA . 36080 1 141 . 1 1 41 41 ARG N N 15 123.24 40.322 . . . . . . A 41 ARG N . 36080 1 142 . 1 1 42 42 SER H H 1 8.106 0.007 . . . . . . A 42 SER H . 36080 1 143 . 1 1 42 42 SER HA H 1 4.497 0.000 . . . . . . A 42 SER HA . 36080 1 144 . 1 1 42 42 SER CA C 13 56.882 0.000 . . . . . . A 42 SER CA . 36080 1 145 . 1 1 42 42 SER N N 15 117.872 0.000 . . . . . . A 42 SER N . 36080 1 146 . 1 1 43 43 PHE H H 1 7.934 0.002 . . . . . . A 43 PHE H . 36080 1 147 . 1 1 43 43 PHE CA C 13 57.255 0.051 . . . . . . A 43 PHE CA . 36080 1 148 . 1 1 43 43 PHE N N 15 117.781 0.000 . . . . . . A 43 PHE N . 36080 1 149 . 1 1 44 44 ILE H H 1 7.975 0.075 . . . . . . A 44 ILE H . 36080 1 150 . 1 1 44 44 ILE HA H 1 4.184 0.000 . . . . . . A 44 ILE HA . 36080 1 151 . 1 1 44 44 ILE HB H 1 2.147 0.000 . . . . . . A 44 ILE HB . 36080 1 152 . 1 1 44 44 ILE HD11 H 1 0.923 0.000 . . . . . . A 44 ILE HD11 . 36080 1 153 . 1 1 44 44 ILE HD12 H 1 0.923 0.000 . . . . . . A 44 ILE HD12 . 36080 1 154 . 1 1 44 44 ILE HD13 H 1 0.923 0.000 . . . . . . A 44 ILE HD13 . 36080 1 155 . 1 1 44 44 ILE CA C 13 65.621 1.254 . . . . . . A 44 ILE CA . 36080 1 156 . 1 1 44 44 ILE N N 15 118.015 0.419 . . . . . . A 44 ILE N . 36080 1 157 . 1 1 45 45 GLU H H 1 7.931 0.260 . . . . . . A 45 GLU H . 36080 1 158 . 1 1 45 45 GLU CA C 13 60.036 0.039 . . . . . . A 45 GLU CA . 36080 1 159 . 1 1 45 45 GLU N N 15 117.585 1.416 . . . . . . A 45 GLU N . 36080 1 160 . 1 1 46 46 ASP H H 1 7.577 0.009 . . . . . . A 46 ASP H . 36080 1 161 . 1 1 46 46 ASP HA H 1 4.122 0.000 . . . . . . A 46 ASP HA . 36080 1 162 . 1 1 46 46 ASP HB2 H 1 2.210 0.000 . . . . . . A 46 ASP HB2 . 36080 1 163 . 1 1 46 46 ASP HB3 H 1 2.210 0.000 . . . . . . A 46 ASP HB3 . 36080 1 164 . 1 1 46 46 ASP CA C 13 58.022 0.000 . . . . . . A 46 ASP CA . 36080 1 165 . 1 1 46 46 ASP N N 15 115.850 0.000 . . . . . . A 46 ASP N . 36080 1 166 . 1 1 48 48 LEU H H 1 8.264 0.005 . . . . . . A 48 LEU H . 36080 1 167 . 1 1 48 48 LEU CA C 13 57.398 0.029 . . . . . . A 48 LEU CA . 36080 1 168 . 1 1 48 48 LEU N N 15 115.826 0.000 . . . . . . A 48 LEU N . 36080 1 169 . 1 1 49 49 PHE H H 1 8.194 0.108 . . . . . . A 49 PHE H . 36080 1 170 . 1 1 49 49 PHE HA H 1 4.284 0.000 . . . . . . A 49 PHE HA . 36080 1 171 . 1 1 49 49 PHE CA C 13 59.369 0.062 . . . . . . A 49 PHE CA . 36080 1 172 . 1 1 49 49 PHE N N 15 115.914 0.124 . . . . . . A 49 PHE N . 36080 1 173 . 1 1 50 50 ASN H H 1 8.046 0.019 . . . . . . A 50 ASN H . 36080 1 174 . 1 1 50 50 ASN HA H 1 4.484 0.000 . . . . . . A 50 ASN HA . 36080 1 175 . 1 1 50 50 ASN HB2 H 1 2.922 0.000 . . . . . . A 50 ASN HB2 . 36080 1 176 . 1 1 50 50 ASN CA C 13 54.839 0.011 . . . . . . A 50 ASN CA . 36080 1 177 . 1 1 50 50 ASN N N 15 116.586 0.786 . . . . . . A 50 ASN N . 36080 1 178 . 1 1 51 51 LYS H H 1 8.070 0.009 . . . . . . A 51 LYS H . 36080 1 179 . 1 1 51 51 LYS HA H 1 4.272 0.000 . . . . . . A 51 LYS HA . 36080 1 180 . 1 1 51 51 LYS CA C 13 57.105 0.000 . . . . . . A 51 LYS CA . 36080 1 181 . 1 1 51 51 LYS N N 15 122.2 43.904 . . . . . . A 51 LYS N . 36080 1 182 . 1 1 52 52 VAL H H 1 7.855 0.001 . . . . . . A 52 VAL H . 36080 1 183 . 1 1 52 52 VAL CA C 13 63.880 0.018 . . . . . . A 52 VAL CA . 36080 1 184 . 1 1 52 52 VAL N N 15 114.453 0.000 . . . . . . A 52 VAL N . 36080 1 185 . 1 1 53 53 THR H H 1 7.975 0.168 . . . . . . A 53 THR H . 36080 1 186 . 1 1 53 53 THR HA H 1 4.309 0.000 . . . . . . A 53 THR HA . 36080 1 187 . 1 1 53 53 THR HG21 H 1 1.197 0.000 . . . . . . A 53 THR HG21 . 36080 1 188 . 1 1 53 53 THR HG22 H 1 1.197 0.000 . . . . . . A 53 THR HG22 . 36080 1 189 . 1 1 53 53 THR HG23 H 1 1.197 0.000 . . . . . . A 53 THR HG23 . 36080 1 190 . 1 1 53 53 THR CA C 13 62.550 0.024 . . . . . . A 53 THR CA . 36080 1 191 . 1 1 53 53 THR N N 15 116.615 3.413 . . . . . . A 53 THR N . 36080 1 192 . 1 1 54 54 LEU H H 1 8.212 0.123 . . . . . . A 54 LEU H . 36080 1 193 . 1 1 54 54 LEU HA H 1 4.297 0.000 . . . . . . A 54 LEU HA . 36080 1 194 . 1 1 54 54 LEU HB2 H 1 1.797 0.000 . . . . . . A 54 LEU HB2 . 36080 1 195 . 1 1 54 54 LEU CA C 13 56.781 0.032 . . . . . . A 54 LEU CA . 36080 1 196 . 1 1 54 54 LEU N N 15 121.796 0.340 . . . . . . A 54 LEU N . 36080 1 197 . 1 1 55 55 ALA H H 1 8.031 0.044 . . . . . . A 55 ALA H . 36080 1 198 . 1 1 55 55 ALA HA H 1 4.284 0.000 . . . . . . A 55 ALA HA . 36080 1 199 . 1 1 55 55 ALA HB1 H 1 1.435 0.000 . . . . . . A 55 ALA HB1 . 36080 1 200 . 1 1 55 55 ALA HB2 H 1 1.435 0.000 . . . . . . A 55 ALA HB2 . 36080 1 201 . 1 1 55 55 ALA HB3 H 1 1.435 0.000 . . . . . . A 55 ALA HB3 . 36080 1 202 . 1 1 55 55 ALA CA C 13 53.892 0.029 . . . . . . A 55 ALA CA . 36080 1 203 . 1 1 55 55 ALA N N 15 119.977 2.027 . . . . . . A 55 ALA N . 36080 1 204 . 1 1 56 56 ASP H H 1 8.080 0.035 . . . . . . A 56 ASP H . 36080 1 205 . 1 1 56 56 ASP HA H 1 4.509 0.000 . . . . . . A 56 ASP HA . 36080 1 206 . 1 1 56 56 ASP HB2 H 1 2.835 0.000 . . . . . . A 56 ASP HB2 . 36080 1 207 . 1 1 56 56 ASP CA C 13 54.574 0.064 . . . . . . A 56 ASP CA . 36080 1 208 . 1 1 56 56 ASP N N 15 118.303 2.420 . . . . . . A 56 ASP N . 36080 1 209 . 1 1 57 57 ALA H H 1 8.109 0.142 . . . . . . A 57 ALA H . 36080 1 210 . 1 1 57 57 ALA HA H 1 4.309 0.000 . . . . . . A 57 ALA HA . 36080 1 211 . 1 1 57 57 ALA HB1 H 1 1.410 0.000 . . . . . . A 57 ALA HB1 . 36080 1 212 . 1 1 57 57 ALA HB2 H 1 1.410 0.000 . . . . . . A 57 ALA HB2 . 36080 1 213 . 1 1 57 57 ALA HB3 H 1 1.410 0.000 . . . . . . A 57 ALA HB3 . 36080 1 214 . 1 1 57 57 ALA CA C 13 53.559 0.020 . . . . . . A 57 ALA CA . 36080 1 215 . 1 1 57 57 ALA N N 15 117.732 6.952 . . . . . . A 57 ALA N . 36080 1 216 . 1 1 58 58 GLY H H 1 8.270 0.156 . . . . . . A 58 GLY H . 36080 1 217 . 1 1 58 58 GLY HA2 H 1 3.909 0.000 . . . . . . A 58 GLY HA2 . 36080 1 218 . 1 1 58 58 GLY CA C 13 46.750 0.012 . . . . . . A 58 GLY CA . 36080 1 219 . 1 1 58 58 GLY N N 15 111.214 6.328 . . . . . . A 58 GLY N . 36080 1 220 . 1 1 59 59 PHE H H 1 8.045 0.013 . . . . . . A 59 PHE H . 36080 1 221 . 1 1 59 59 PHE HA H 1 4.347 0.000 . . . . . . A 59 PHE HA . 36080 1 222 . 1 1 59 59 PHE HB2 H 1 3.134 0.000 . . . . . . A 59 PHE HB2 . 36080 1 223 . 1 1 59 59 PHE CA C 13 55.394 0.000 . . . . . . A 59 PHE CA . 36080 1 224 . 1 1 59 59 PHE N N 15 101.474 41.789 . . . . . . A 59 PHE N . 36080 1 225 . 1 1 60 60 MET H H 1 7.803 0.002 . . . . . . A 60 MET H . 36080 1 226 . 1 1 60 60 MET CA C 13 56.681 0.052 . . . . . . A 60 MET CA . 36080 1 227 . 1 1 60 60 MET N N 15 119.162 0.000 . . . . . . A 60 MET N . 36080 1 228 . 1 1 61 61 LYS H H 1 7.806 0.016 . . . . . . A 61 LYS H . 36080 1 229 . 1 1 61 61 LYS HB2 H 1 2.954 1.168 . . . . . . A 61 LYS HB2 . 36080 1 230 . 1 1 61 61 LYS CA C 13 58.277 0.032 . . . . . . A 61 LYS CA . 36080 1 231 . 1 1 61 61 LYS N N 15 118.623 0.852 . . . . . . A 61 LYS N . 36080 1 232 . 1 1 62 62 GLN H H 1 7.819 0.053 . . . . . . A 62 GLN H . 36080 1 233 . 1 1 62 62 GLN HA H 1 4.159 0.000 . . . . . . A 62 GLN HA . 36080 1 234 . 1 1 62 62 GLN HB2 H 1 2.022 0.000 . . . . . . A 62 GLN HB2 . 36080 1 235 . 1 1 62 62 GLN CA C 13 56.870 0.044 . . . . . . A 62 GLN CA . 36080 1 236 . 1 1 62 62 GLN N N 15 117.565 0.456 . . . . . . A 62 GLN N . 36080 1 237 . 1 1 63 63 TYR H H 1 7.778 0.056 . . . . . . A 63 TYR H . 36080 1 238 . 1 1 63 63 TYR HA H 1 4.422 0.000 . . . . . . A 63 TYR HA . 36080 1 239 . 1 1 63 63 TYR HB2 H 1 2.972 0.000 . . . . . . A 63 TYR HB2 . 36080 1 240 . 1 1 63 63 TYR CA C 13 58.790 0.025 . . . . . . A 63 TYR CA . 36080 1 241 . 1 1 63 63 TYR N N 15 116.471 4.049 . . . . . . A 63 TYR N . 36080 1 242 . 1 1 64 64 GLY H H 1 7.836 0.152 . . . . . . A 64 GLY H . 36080 1 243 . 1 1 64 64 GLY HA2 H 1 3.897 0.000 . . . . . . A 64 GLY HA2 . 36080 1 244 . 1 1 64 64 GLY HA3 H 1 3.897 0.000 . . . . . . A 64 GLY HA3 . 36080 1 245 . 1 1 64 64 GLY CA C 13 45.461 0.011 . . . . . . A 64 GLY CA . 36080 1 246 . 1 1 64 64 GLY N N 15 112.448 7.115 . . . . . . A 64 GLY N . 36080 1 247 . 1 1 65 65 GLU H H 1 7.607 0.016 . . . . . . A 65 GLU H . 36080 1 248 . 1 1 65 65 GLU HA H 1 4.272 0.000 . . . . . . A 65 GLU HA . 36080 1 249 . 1 1 65 65 GLU HB2 H 1 1.960 0.000 . . . . . . A 65 GLU HB2 . 36080 1 250 . 1 1 65 65 GLU HG2 H 1 2.447 0.000 . . . . . . A 65 GLU HG2 . 36080 1 251 . 1 1 65 65 GLU HG3 H 1 2.447 0.000 . . . . . . A 65 GLU HG3 . 36080 1 252 . 1 1 65 65 GLU CA C 13 56.510 0.000 . . . . . . A 65 GLU CA . 36080 1 253 . 1 1 65 65 GLU N N 15 122.511 0.000 . . . . . . A 65 GLU N . 36080 1 stop_ save_