################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25586 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $Set_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_2 _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 '3D HNCA' 1 $NMR_sample isotropic 25586 1 2 '2D 1H-15N HSQC/HMQC' 1 $NMR_sample isotropic 25586 1 3 '3D HNCO' 1 $NMR_sample isotropic 25586 1 4 'HNcaCO (H[N[ca[CO]]])' 1 $NMR_sample isotropic 25586 1 5 '2D 1H-13C HSQC/HMQC' 2 $NMR_sample_ref isotropic 25586 1 6 '2D 1H-15N HSQC/HMQC' 2 $NMR_sample_ref isotropic 25586 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25586 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 LEU C C 13 177.430 0.002 . 1 . 172 . . 2 LEU C . 25586 1 2 . 1 1 2 2 LEU CA C 13 55.478 0.01 . 1 . 174 . . 2 LEU CA . 25586 1 3 . 1 1 3 3 THR H H 1 8.180 0.002 . 1 . 47 . . 3 THR H . 25586 1 4 . 1 1 3 3 THR C C 13 174.388 0.004 . 1 . 135 . . 3 THR C . 25586 1 5 . 1 1 3 3 THR CA C 13 61.918 0.004 . 1 . 104 . . 3 THR CA . 25586 1 6 . 1 1 3 3 THR N N 15 115.657 0.05 . 1 . 48 . . 3 THR N . 25586 1 7 . 1 1 4 4 LEU H H 1 8.222 0.002 . 1 . 9 . . 4 LEU H . 25586 1 8 . 1 1 4 4 LEU C C 13 176.875 0.012 . 1 . 121 . . 4 LEU C . 25586 1 9 . 1 1 4 4 LEU CA C 13 55.389 0.01 . 1 . 92 . . 4 LEU CA . 25586 1 10 . 1 1 4 4 LEU N N 15 124.638 0.016 . 1 . 10 . . 4 LEU N . 25586 1 11 . 1 1 5 5 ASN H H 1 8.421 0.002 . 1 . 13 . . 5 ASN H . 25586 1 12 . 1 1 5 5 ASN C C 13 174.920 0.005 . 1 . 137 . . 5 ASN C . 25586 1 13 . 1 1 5 5 ASN CA C 13 53.387 0.003 . 1 . 91 . . 5 ASN CA . 25586 1 14 . 1 1 5 5 ASN N N 15 119.473 0.01 . 1 . 14 . . 5 ASN N . 25586 1 15 . 1 1 6 6 LEU H H 1 8.111 0.002 . 1 . 25 . . 6 LEU H . 25586 1 16 . 1 1 6 6 LEU C C 13 177.421 0.013 . 1 . 136 . . 6 LEU C . 25586 1 17 . 1 1 6 6 LEU CA C 13 55.527 0.01 . 1 . 112 . . 6 LEU CA . 25586 1 18 . 1 1 6 6 LEU N N 15 122.259 0.02 . 1 . 26 . . 6 LEU N . 25586 1 19 . 1 1 7 7 ILE H H 1 8.111 0.002 . 1 . 67 . . 7 ILE H . 25586 1 20 . 1 1 7 7 ILE C C 13 176.788 0.006 . 1 . 168 . . 7 ILE C . 25586 1 21 . 1 1 7 7 ILE CA C 13 61.685 0.001 . 1 . 84 . . 7 ILE CA . 25586 1 22 . 1 1 7 7 ILE N N 15 121.285 0.057 . 1 . 68 . . 7 ILE N . 25586 1 23 . 1 1 8 8 THR H H 1 8.073 0.002 . 1 . 1 . . 8 THR H . 25586 1 24 . 1 1 8 8 THR C C 13 174.859 0.004 . 1 . 116 . . 8 THR C . 25586 1 25 . 1 1 8 8 THR CA C 13 62.289 0.002 . 1 . 83 . . 8 THR CA . 25586 1 26 . 1 1 8 8 THR N N 15 117.127 0.027 . 1 . 2 . . 8 THR N . 25586 1 27 . 1 1 9 9 GLU H H 1 8.305 0.002 . 1 . 7 . . 9 GLU H . 25586 1 28 . 1 1 9 9 GLU C C 13 176.738 0.001 . 1 . 165 . . 9 GLU C . 25586 1 29 . 1 1 9 9 GLU CA C 13 56.883 0.011 . 1 . 164 . . 9 GLU CA . 25586 1 30 . 1 1 9 9 GLU N N 15 122.776 0.021 . 1 . 8 . . 9 GLU N . 25586 1 31 . 1 1 10 10 MET H H 1 8.315 0.002 . 1 . 19 . . 10 MET H . 25586 1 32 . 1 1 10 10 MET C C 13 176.962 0.015 . 1 . 166 . . 10 MET C . 25586 1 33 . 1 1 10 10 MET CA C 13 56.130 0.001 . 1 . 167 . . 10 MET CA . 25586 1 34 . 1 1 10 10 MET N N 15 120.589 0.047 . 1 . 20 . . 10 MET N . 25586 1 35 . 1 1 11 11 GLY H H 1 8.343 0.003 . 1 . 35 . . 11 GLY H . 25586 1 36 . 1 1 11 11 GLY C C 13 173.933 0.004 . 1 . 159 . . 11 GLY C . 25586 1 37 . 1 1 11 11 GLY CA C 13 45.453 0.001 . 1 . 100 . . 11 GLY CA . 25586 1 38 . 1 1 11 11 GLY N N 15 109.157 0.04 . 1 . 36 . . 11 GLY N . 25586 1 39 . 1 1 12 12 ARG H H 1 7.934 0.002 . 1 . 75 . . 12 ARG H . 25586 1 40 . 1 1 12 12 ARG C C 13 176.050 0.006 . 1 . 115 . . 12 ARG C . 25586 1 41 . 1 1 12 12 ARG CA C 13 55.713 0.002 . 1 . 114 . . 12 ARG CA . 25586 1 42 . 1 1 12 12 ARG N N 15 119.778 0.024 . 1 . 76 . . 12 ARG N . 25586 1 43 . 1 1 13 13 LEU H H 1 8.196 0.002 . 1 . 31 . . 13 LEU H . 25586 1 44 . 1 1 13 13 LEU C C 13 175.424 0.02 . 1 . 160 . . 13 LEU C . 25586 1 45 . 1 1 13 13 LEU CA C 13 53.166 0.01 . 1 . 161 . . 13 LEU CA . 25586 1 46 . 1 1 13 13 LEU N N 15 124.275 0.026 . 1 . 32 . . 13 LEU N . 25586 1 47 . 1 1 14 14 PRO C C 13 177.101 0.002 . 1 . 162 . . 14 PRO C . 25586 1 48 . 1 1 14 14 PRO CA C 13 63.224 0.01 . 1 . 99 . . 14 PRO CA . 25586 1 49 . 1 1 15 15 THR H H 1 8.065 0.002 . 1 . 5 . . 15 THR H . 25586 1 50 . 1 1 15 15 THR C C 13 174.705 0.007 . 1 . 163 . . 15 THR C . 25586 1 51 . 1 1 15 15 THR CA C 13 62.486 0.001 . 1 . 98 . . 15 THR CA . 25586 1 52 . 1 1 15 15 THR N N 15 113.510 0.034 . 1 . 6 . . 15 THR N . 25586 1 53 . 1 1 16 16 PHE H H 1 8.030 0.003 . 1 . 81 . . 16 PHE H . 25586 1 54 . 1 1 16 16 PHE C C 13 175.648 0.02 . 1 . 169 . . 16 PHE C . 25586 1 55 . 1 1 16 16 PHE CA C 13 57.918 0.01 . 1 . 107 . . 16 PHE CA . 25586 1 56 . 1 1 16 16 PHE N N 15 120.946 0.031 . 1 . 82 . . 16 PHE N . 25586 1 57 . 1 1 17 17 MET C C 13 176.222 0.002 . 1 . 157 . . 17 MET C . 25586 1 58 . 1 1 17 17 MET CA C 13 55.618 0.01 . 1 . 89 . . 17 MET CA . 25586 1 59 . 1 1 18 18 THR H H 1 7.992 0.002 . 1 . 11 . . 18 THR H . 25586 1 60 . 1 1 18 18 THR C C 13 174.678 0.006 . 1 . 158 . . 18 THR C . 25586 1 61 . 1 1 18 18 THR CA C 13 62.038 0.007 . 1 . 88 . . 18 THR CA . 25586 1 62 . 1 1 18 18 THR N N 15 114.443 0.029 . 1 . 12 . . 18 THR N . 25586 1 63 . 1 1 19 19 GLN H H 1 8.387 0.004 . 1 . 17 . . 19 GLN H . 25586 1 64 . 1 1 19 19 GLN C C 13 176.174 0.007 . 1 . 122 . . 19 GLN C . 25586 1 65 . 1 1 19 19 GLN CA C 13 56.544 0.001 . 1 . 90 . . 19 GLN CA . 25586 1 66 . 1 1 19 19 GLN N N 15 122.428 0.017 . 1 . 18 . . 19 GLN N . 25586 1 67 . 1 1 20 20 LYS H H 1 8.250 0.003 . 1 . 33 . . 20 LYS H . 25586 1 68 . 1 1 20 20 LYS C C 13 176.904 0.005 . 1 . 123 . . 20 LYS C . 25586 1 69 . 1 1 20 20 LYS CA C 13 56.887 0.004 . 1 . 106 . . 20 LYS CA . 25586 1 70 . 1 1 20 20 LYS N N 15 121.571 0.066 . 1 . 34 . . 20 LYS N . 25586 1 71 . 1 1 21 21 ALA H H 1 8.172 0.005 . 1 . 23 . . 21 ALA H . 25586 1 72 . 1 1 21 21 ALA C C 13 178.366 0.008 . 1 . 124 . . 21 ALA C . 25586 1 73 . 1 1 21 21 ALA CA C 13 53.014 0.007 . 1 . 102 . . 21 ALA CA . 25586 1 74 . 1 1 21 21 ALA N N 15 124.667 0.042 . 1 . 24 . . 21 ALA N . 25586 1 75 . 1 1 22 22 ARG H H 1 8.274 0.002 . 1 . 37 . . 22 ARG H . 25586 1 76 . 1 1 22 22 ARG C C 13 176.800 0.015 . 1 . 132 . . 22 ARG C . 25586 1 77 . 1 1 22 22 ARG CA C 13 57.065 0.008 . 1 . 103 . . 22 ARG CA . 25586 1 78 . 1 1 22 22 ARG N N 15 120.092 0.024 . 1 . 38 . . 22 ARG N . 25586 1 79 . 1 1 23 23 ASP H H 1 8.337 0.003 . 1 . 27 . . 23 ASP H . 25586 1 80 . 1 1 23 23 ASP C C 13 176.492 0.013 . 1 . 138 . . 23 ASP C . 25586 1 81 . 1 1 23 23 ASP CA C 13 54.895 0.001 . 1 . 94 . . 23 ASP CA . 25586 1 82 . 1 1 23 23 ASP N N 15 120.529 0.021 . 1 . 28 . . 23 ASP N . 25586 1 83 . 1 1 24 24 ALA H H 1 7.975 0.003 . 1 . 21 . . 24 ALA H . 25586 1 84 . 1 1 24 24 ALA C C 13 178.240 0.01 . 1 . 156 . . 24 ALA C . 25586 1 85 . 1 1 24 24 ALA CA C 13 53.071 0.003 . 1 . 93 . . 24 ALA CA . 25586 1 86 . 1 1 24 24 ALA N N 15 123.083 0.025 . 1 . 22 . . 24 ALA N . 25586 1 87 . 1 1 25 25 LEU H H 1 8.051 0.002 . 1 . 79 . . 25 LEU H . 25586 1 88 . 1 1 25 25 LEU C C 13 177.683 0.007 . 1 . 131 . . 25 LEU C . 25586 1 89 . 1 1 25 25 LEU CA C 13 55.648 0.01 . 1 . 111 . . 25 LEU CA . 25586 1 90 . 1 1 25 25 LEU N N 15 120.001 0.022 . 1 . 80 . . 25 LEU N . 25586 1 91 . 1 1 26 26 ASP H H 1 8.136 0.001 . 1 . 69 . . 26 ASP H . 25586 1 92 . 1 1 26 26 ASP C C 13 176.427 0.002 . 1 . 134 . . 26 ASP C . 25586 1 93 . 1 1 26 26 ASP CA C 13 54.745 0.002 . 1 . 101 . . 26 ASP CA . 25586 1 94 . 1 1 26 26 ASP N N 15 120.025 0.012 . 1 . 70 . . 26 ASP N . 25586 1 95 . 1 1 27 27 ASN H H 1 8.187 0.002 . 1 . 15 . . 27 ASN H . 25586 1 96 . 1 1 27 27 ASN C C 13 175.556 0.011 . 1 . 133 . . 27 ASN C . 25586 1 97 . 1 1 27 27 ASN CA C 13 53.732 0.004 . 1 . 113 . . 27 ASN CA . 25586 1 98 . 1 1 27 27 ASN N N 15 118.380 0.026 . 1 . 16 . . 27 ASN N . 25586 1 99 . 1 1 28 28 LEU H H 1 8.078 0.003 . 1 . 65 . . 28 LEU H . 25586 1 100 . 1 1 28 28 LEU C C 13 177.439 0.002 . 1 . 119 . . 28 LEU C . 25586 1 101 . 1 1 28 28 LEU CA C 13 55.733 0.002 . 1 . 120 . . 28 LEU CA . 25586 1 102 . 1 1 28 28 LEU N N 15 121.383 0.016 . 1 . 66 . . 28 LEU N . 25586 1 103 . 1 1 29 29 ALA H H 1 8.043 0.001 . 1 . 55 . . 29 ALA H . 25586 1 104 . 1 1 29 29 ALA C C 13 178.041 0.007 . 1 . 118 . . 29 ALA C . 25586 1 105 . 1 1 29 29 ALA CA C 13 53.001 0.002 . 1 . 117 . . 29 ALA CA . 25586 1 106 . 1 1 29 29 ALA N N 15 123.472 0.022 . 1 . 56 . . 29 ALA N . 25586 1 107 . 1 1 30 30 VAL H H 1 7.797 0.002 . 1 . 39 . . 30 VAL H . 25586 1 108 . 1 1 30 30 VAL C C 13 176.196 0.001 . 1 . 125 . . 30 VAL C . 25586 1 109 . 1 1 30 30 VAL CA C 13 62.574 0.002 . 1 . 86 . . 30 VAL CA . 25586 1 110 . 1 1 30 30 VAL N N 15 117.896 0.012 . 1 . 40 . . 30 VAL N . 25586 1 111 . 1 1 31 31 LEU H H 1 8.045 0.002 . 1 . 3 . . 31 LEU H . 25586 1 112 . 1 1 31 31 LEU C C 13 177.223 0.02 . 1 . 155 . . 31 LEU C . 25586 1 113 . 1 1 31 31 LEU CA C 13 55.284 0.01 . 1 . 154 . . 31 LEU CA . 25586 1 114 . 1 1 31 31 LEU N N 15 124.396 0.03 . 1 . 4 . . 31 LEU N . 25586 1 115 . 1 1 32 32 HIS C C 13 175.520 0.02 . 1 . 170 . . 32 HIS C . 25586 1 116 . 1 1 32 32 HIS CA C 13 56.163 0.01 . 1 . 173 . . 32 HIS CA . 25586 1 117 . 1 1 33 33 THR H H 1 7.985 0.005 . 1 . 57 . . 33 THR H . 25586 1 118 . 1 1 33 33 THR C C 13 174.421 0.02 . 1 . 171 . . 33 THR C . 25586 1 119 . 1 1 33 33 THR CA C 13 61.954 0.015 . 1 . 153 . . 33 THR CA . 25586 1 120 . 1 1 33 33 THR N N 15 114.969 0.016 . 1 . 58 . . 33 THR N . 25586 1 121 . 1 1 34 34 ALA H H 1 8.346 0.002 . 1 . 41 . . 34 ALA H . 25586 1 122 . 1 1 34 34 ALA C C 13 177.998 0.009 . 1 . 126 . . 34 ALA C . 25586 1 123 . 1 1 34 34 ALA CA C 13 52.863 0.005 . 1 . 110 . . 34 ALA CA . 25586 1 124 . 1 1 34 34 ALA N N 15 125.948 0.008 . 1 . 42 . . 34 ALA N . 25586 1 125 . 1 1 35 35 GLU H H 1 8.323 0.001 . 1 . 43 . . 35 GLU H . 25586 1 126 . 1 1 35 35 GLU C C 13 176.619 0.002 . 1 . 127 . . 35 GLU C . 25586 1 127 . 1 1 35 35 GLU CA C 13 56.776 0.001 . 1 . 95 . . 35 GLU CA . 25586 1 128 . 1 1 35 35 GLU N N 15 119.777 0.008 . 1 . 44 . . 35 GLU N . 25586 1 129 . 1 1 36 36 ALA H H 1 8.261 0.002 . 1 . 53 . . 36 ALA H . 25586 1 130 . 1 1 36 36 ALA C C 13 178.363 0.009 . 1 . 146 . . 36 ALA C . 25586 1 131 . 1 1 36 36 ALA CA C 13 52.837 0.004 . 1 . 96 . . 36 ALA CA . 25586 1 132 . 1 1 36 36 ALA N N 15 124.735 0.014 . 1 . 54 . . 36 ALA N . 25586 1 133 . 1 1 37 37 GLY H H 1 8.318 0.002 . 1 . 49 . . 37 GLY H . 25586 1 134 . 1 1 37 37 GLY C C 13 174.906 0.005 . 1 . 130 . . 37 GLY C . 25586 1 135 . 1 1 37 37 GLY CA C 13 45.452 0.01 . 1 . 145 . . 37 GLY CA . 25586 1 136 . 1 1 37 37 GLY N N 15 107.874 0.026 . 1 . 50 . . 37 GLY N . 25586 1 137 . 1 1 38 38 GLY H H 1 8.213 0.002 . 1 . 59 . . 38 GLY H . 25586 1 138 . 1 1 38 38 GLY C C 13 174.223 0.011 . 1 . 147 . . 38 GLY C . 25586 1 139 . 1 1 38 38 GLY CA C 13 45.459 0.01 . 1 . 97 . . 38 GLY CA . 25586 1 140 . 1 1 38 38 GLY N N 15 108.460 0.028 . 1 . 60 . . 38 GLY N . 25586 1 141 . 1 1 39 39 ARG H H 1 8.109 0.002 . 1 . 73 . . 39 ARG H . 25586 1 142 . 1 1 39 39 ARG C C 13 175.949 0.002 . 1 . 148 . . 39 ARG C . 25586 1 143 . 1 1 39 39 ARG CA C 13 56.063 0.006 . 1 . 105 . . 39 ARG CA . 25586 1 144 . 1 1 39 39 ARG N N 15 120.337 0.013 . 1 . 74 . . 39 ARG N . 25586 1 145 . 1 1 40 40 ALA H H 1 8.267 0.001 . 1 . 61 . . 40 ALA H . 25586 1 146 . 1 1 40 40 ALA C C 13 177.345 0.003 . 1 . 149 . . 40 ALA C . 25586 1 147 . 1 1 40 40 ALA CA C 13 52.372 0.003 . 1 . 150 . . 40 ALA CA . 25586 1 148 . 1 1 40 40 ALA N N 15 124.627 0.021 . 1 . 62 . . 40 ALA N . 25586 1 149 . 1 1 41 41 TYR H H 1 8.075 0.001 . 1 . 71 . . 41 TYR H . 25586 1 150 . 1 1 41 41 TYR C C 13 175.359 0.02 . 1 . 152 . . 41 TYR C . 25586 1 151 . 1 1 41 41 TYR CA C 13 57.855 0.01 . 1 . 151 . . 41 TYR CA . 25586 1 152 . 1 1 41 41 TYR N N 15 119.342 0.012 . 1 . 72 . . 41 TYR N . 25586 1 153 . 1 1 43 43 HIS C C 13 175.044 0.009 . 1 . 144 . . 43 HIS C . 25586 1 154 . 1 1 43 43 HIS CA C 13 56.555 0.01 . 1 . 109 . . 43 HIS CA . 25586 1 155 . 1 1 44 44 ALA H H 1 8.169 0.001 . 1 . 63 . . 44 ALA H . 25586 1 156 . 1 1 44 44 ALA C C 13 177.784 0.001 . 1 . 143 . . 44 ALA C . 25586 1 157 . 1 1 44 44 ALA CA C 13 52.660 0.012 . 1 . 108 . . 44 ALA CA . 25586 1 158 . 1 1 44 44 ALA N N 15 124.277 0.017 . 1 . 64 . . 44 ALA N . 25586 1 159 . 1 1 45 45 LEU H H 1 8.102 0.002 . 1 . 77 . . 45 LEU H . 25586 1 160 . 1 1 45 45 LEU C C 13 177.497 0.01 . 1 . 142 . . 45 LEU C . 25586 1 161 . 1 1 45 45 LEU CA C 13 55.303 0.01 . 1 . 85 . . 45 LEU CA . 25586 1 162 . 1 1 45 45 LEU N N 15 120.646 0.014 . 1 . 78 . . 45 LEU N . 25586 1 163 . 1 1 46 46 SER H H 1 8.104 0.002 . 1 . 51 . . 46 SER H . 25586 1 164 . 1 1 46 46 SER C C 13 174.286 0.002 . 1 . 140 . . 46 SER C . 25586 1 165 . 1 1 46 46 SER CA C 13 58.422 0.002 . 1 . 87 . . 46 SER CA . 25586 1 166 . 1 1 46 46 SER N N 15 115.572 0.019 . 1 . 52 . . 46 SER N . 25586 1 167 . 1 1 47 47 GLU H H 1 8.286 0.001 . 1 . 45 . . 47 GLU H . 25586 1 168 . 1 1 47 47 GLU C C 13 175.346 0.004 . 1 . 128 . . 47 GLU C . 25586 1 169 . 1 1 47 47 GLU CA C 13 56.431 0.002 . 1 . 129 . . 47 GLU CA . 25586 1 170 . 1 1 47 47 GLU N N 15 122.947 0.015 . 1 . 46 . . 47 GLU N . 25586 1 171 . 1 1 48 48 LEU H H 1 7.770 0.002 . 1 . 29 . . 48 LEU H . 25586 1 172 . 1 1 48 48 LEU C C 13 182.408 0.02 . 1 . 139 . . 48 LEU C . 25586 1 173 . 1 1 48 48 LEU CA C 13 56.754 0.01 . 1 . 141 . . 48 LEU CA . 25586 1 174 . 1 1 48 48 LEU N N 15 128.277 0.008 . 1 . 30 . . 48 LEU N . 25586 1 stop_ save_