################################### # 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 19911 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4cz3/ebi/HP24wtNmrStar_5.csh' _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 NOESY 1 $sample_1 solution 19911 1 2 TOCSY 1 $sample_1 solution 19911 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 1 1 ACE H1 H 1 2.081 . . 1 . 27 . . 52 ACE H1 . 19911 1 2 . 1 1 1 1 ACE H2 H 1 2.081 . . 1 . 27 . . 52 ACE H2 . 19911 1 3 . 1 1 1 1 ACE H3 H 1 2.081 . . 1 . 27 . . 52 ACE H3 . 19911 1 4 . 1 1 1 1 ACE CH3 C 13 24.541 . . 1 . 28 . . 52 ACE CH3 . 19911 1 5 . 1 1 2 2 MET H H 1 8.406 . . 1 . 24 . . 53 MET H . 19911 1 6 . 1 1 2 2 MET HA H 1 4.516 . . 1 . 16 . . 53 MET HA . 19911 1 7 . 1 1 2 2 MET HB2 H 1 2.060 . . 1 . 21 . . 53 MET HB2 . 19911 1 8 . 1 1 2 2 MET HB3 H 1 2.094 . . 1 . 23 . . 53 MET HB3 . 19911 1 9 . 1 1 2 2 MET HG2 H 1 2.632 . . 1 . 20 . . 53 MET HG2 . 19911 1 10 . 1 1 2 2 MET HG3 H 1 2.632 . . 1 . 18 . . 53 MET HG3 . 19911 1 11 . 1 1 2 2 MET HE1 H 1 2.126 . . 1 . 25 . . 53 MET HE1 . 19911 1 12 . 1 1 2 2 MET HE2 H 1 2.126 . . 1 . 25 . . 53 MET HE2 . 19911 1 13 . 1 1 2 2 MET HE3 H 1 2.126 . . 1 . 25 . . 53 MET HE3 . 19911 1 14 . 1 1 2 2 MET CA C 13 55.901 . . 1 . 17 . . 53 MET CA . 19911 1 15 . 1 1 2 2 MET CB C 13 33.205 0.001 . 1 . 22 . . 53 MET CB . 19911 1 16 . 1 1 2 2 MET CG C 13 32.079 . . 1 . 19 . . 53 MET CG . 19911 1 17 . 1 1 2 2 MET CE C 13 16.993 . . 1 . 26 . . 53 MET CE . 19911 1 18 . 1 1 2 2 MET N N 15 126.070 . . 1 . 29 . . 53 MET N . 19911 1 19 . 1 1 3 3 THR H H 1 8.181 . . 1 . 13 . . 54 THR H . 19911 1 20 . 1 1 3 3 THR HA H 1 4.410 . . 1 . 8 . . 54 THR HA . 19911 1 21 . 1 1 3 3 THR HB H 1 4.319 . . 1 . 1 . . 54 THR HB . 19911 1 22 . 1 1 3 3 THR HG21 H 1 1.263 . . 1 . 14 . . 54 THR HG21 . 19911 1 23 . 1 1 3 3 THR HG22 H 1 1.263 . . 1 . 14 . . 54 THR HG22 . 19911 1 24 . 1 1 3 3 THR HG23 H 1 1.263 . . 1 . 14 . . 54 THR HG23 . 19911 1 25 . 1 1 3 3 THR CA C 13 61.790 . . 1 . 9 . . 54 THR CA . 19911 1 26 . 1 1 3 3 THR CB C 13 70.096 . . 1 . 2 . . 54 THR CB . 19911 1 27 . 1 1 3 3 THR CG2 C 13 21.708 . . 1 . 15 . . 54 THR CG2 . 19911 1 28 . 1 1 3 3 THR N N 15 115.502 . . 1 . 30 . . 54 THR N . 19911 1 29 . 1 1 4 4 ARG HA H 1 4.332 . . 1 . 129 . . 55 ARG HA . 19911 1 30 . 1 1 4 4 ARG HB2 H 1 1.814 . . 2 . 131 . . 55 ARG HB2 . 19911 1 31 . 1 1 4 4 ARG HB3 H 1 1.897 . . 2 . 133 . . 55 ARG HB3 . 19911 1 32 . 1 1 4 4 ARG HG2 H 1 1.630 . . 1 . 135 . . 55 ARG HG2 . 19911 1 33 . 1 1 4 4 ARG HG3 H 1 1.630 . . 1 . 136 . . 55 ARG HG3 . 19911 1 34 . 1 1 4 4 ARG HD2 H 1 3.212 . . 1 . 126 . . 55 ARG HD2 . 19911 1 35 . 1 1 4 4 ARG HD3 H 1 3.212 . . 1 . 128 . . 55 ARG HD3 . 19911 1 36 . 1 1 4 4 ARG CA C 13 56.735 . . 1 . 130 . . 55 ARG CA . 19911 1 37 . 1 1 4 4 ARG CB C 13 30.720 0.004 . 1 . 132 . . 55 ARG CB . 19911 1 38 . 1 1 4 4 ARG CG C 13 27.129 . . 1 . 134 . . 55 ARG CG . 19911 1 39 . 1 1 4 4 ARG CD C 13 43.380 . . 1 . 127 . . 55 ARG CD . 19911 1 40 . 1 1 5 5 SER HA H 1 4.384 . . 1 . 88 . . 56 SER HA . 19911 1 41 . 1 1 5 5 SER HB2 H 1 3.898 . . 2 . 5 . . 56 SER HB2 . 19911 1 42 . 1 1 5 5 SER HB3 H 1 3.837 . . 2 . 3 . . 56 SER HB3 . 19911 1 43 . 1 1 5 5 SER CA C 13 58.845 . . 1 . 89 . . 56 SER CA . 19911 1 44 . 1 1 5 5 SER CB C 13 63.695 0.002 . 1 . 4 . . 56 SER CB . 19911 1 45 . 1 1 6 6 ALA HA H 1 4.239 . . 1 . 62 . . 57 ALA HA . 19911 1 46 . 1 1 6 6 ALA HB1 H 1 1.309 . . 1 . 60 . . 57 ALA HB1 . 19911 1 47 . 1 1 6 6 ALA HB2 H 1 1.309 . . 1 . 60 . . 57 ALA HB2 . 19911 1 48 . 1 1 6 6 ALA HB3 H 1 1.309 . . 1 . 60 . . 57 ALA HB3 . 19911 1 49 . 1 1 6 6 ALA CA C 13 53.304 . . 1 . 63 . . 57 ALA CA . 19911 1 50 . 1 1 6 6 ALA CB C 13 18.992 . . 1 . 61 . . 57 ALA CB . 19911 1 51 . 1 1 7 7 PHE H H 1 8.073 . . 1 . 93 . . 58 PHE H . 19911 1 52 . 1 1 7 7 PHE HA H 1 4.508 . . 1 . 94 . . 58 PHE HA . 19911 1 53 . 1 1 7 7 PHE HB2 H 1 3.174 . . 2 . 92 . . 58 PHE HB2 . 19911 1 54 . 1 1 7 7 PHE HB3 H 1 3.019 . . 2 . 90 . . 58 PHE HB3 . 19911 1 55 . 1 1 7 7 PHE CA C 13 58.240 . . 1 . 95 . . 58 PHE CA . 19911 1 56 . 1 1 7 7 PHE CB C 13 39.524 0.042 . 1 . 91 . . 58 PHE CB . 19911 1 57 . 1 1 7 7 PHE N N 15 118.554 . . 1 . 214 . . 58 PHE N . 19911 1 58 . 1 1 8 8 ALA H H 1 7.940 . . 1 . 57 . . 59 ALA H . 19911 1 59 . 1 1 8 8 ALA HA H 1 4.201 . . 1 . 58 . . 59 ALA HA . 19911 1 60 . 1 1 8 8 ALA HB1 H 1 1.397 . . 1 . 55 . . 59 ALA HB1 . 19911 1 61 . 1 1 8 8 ALA HB2 H 1 1.397 . . 1 . 55 . . 59 ALA HB2 . 19911 1 62 . 1 1 8 8 ALA HB3 H 1 1.397 . . 1 . 55 . . 59 ALA HB3 . 19911 1 63 . 1 1 8 8 ALA CA C 13 53.089 . . 1 . 59 . . 59 ALA CA . 19911 1 64 . 1 1 8 8 ALA CB C 13 19.181 . . 1 . 56 . . 59 ALA CB . 19911 1 65 . 1 1 8 8 ALA N N 15 122.927 . . 1 . 207 . . 59 ALA N . 19911 1 66 . 1 1 9 9 ASN H H 1 8.071 . . 1 . 109 . . 60 ASN H . 19911 1 67 . 1 1 9 9 ASN HA H 1 4.702 . . 1 . 107 . . 60 ASN HA . 19911 1 68 . 1 1 9 9 ASN HB2 H 1 2.896 . . 2 . 112 . . 60 ASN HB2 . 19911 1 69 . 1 1 9 9 ASN HB3 H 1 2.716 . . 2 . 110 . . 60 ASN HB3 . 19911 1 70 . 1 1 9 9 ASN CA C 13 53.029 . . 1 . 108 . . 60 ASN CA . 19911 1 71 . 1 1 9 9 ASN CB C 13 38.899 0.001 . 1 . 111 . . 60 ASN CB . 19911 1 72 . 1 1 9 9 ASN N N 15 116.001 . . 1 . 213 . . 60 ASN N . 19911 1 73 . 1 1 10 10 LEU H H 1 7.884 . . 1 . 104 . . 61 LEU H . 19911 1 74 . 1 1 10 10 LEU HA H 1 4.564 . . 1 . 105 . . 61 LEU HA . 19911 1 75 . 1 1 10 10 LEU HB2 H 1 1.634 . . 2 . 123 . . 61 LEU HB2 . 19911 1 76 . 1 1 10 10 LEU HB3 H 1 1.408 . . 2 . 102 . . 61 LEU HB3 . 19911 1 77 . 1 1 10 10 LEU HG H 1 1.711 . . 1 . 124 . . 61 LEU HG . 19911 1 78 . 1 1 10 10 LEU HD11 H 1 0.876 . . 2 . 121 . . 61 LEU HD11 . 19911 1 79 . 1 1 10 10 LEU HD12 H 1 0.876 . . 2 . 121 . . 61 LEU HD12 . 19911 1 80 . 1 1 10 10 LEU HD13 H 1 0.876 . . 2 . 121 . . 61 LEU HD13 . 19911 1 81 . 1 1 10 10 LEU HD21 H 1 0.879 . . 2 . 119 . . 61 LEU HD21 . 19911 1 82 . 1 1 10 10 LEU HD22 H 1 0.879 . . 2 . 119 . . 61 LEU HD22 . 19911 1 83 . 1 1 10 10 LEU HD23 H 1 0.879 . . 2 . 119 . . 61 LEU HD23 . 19911 1 84 . 1 1 10 10 LEU CA C 13 53.507 . . 1 . 106 . . 61 LEU CA . 19911 1 85 . 1 1 10 10 LEU CB C 13 41.967 0.004 . 1 . 103 . . 61 LEU CB . 19911 1 86 . 1 1 10 10 LEU CG C 13 26.836 . . 1 . 125 . . 61 LEU CG . 19911 1 87 . 1 1 10 10 LEU CD1 C 13 23.397 . . 2 . 122 . . 61 LEU CD1 . 19911 1 88 . 1 1 10 10 LEU CD2 C 13 25.561 . . 2 . 120 . . 61 LEU CD2 . 19911 1 89 . 1 1 10 10 LEU N N 15 122.968 . . 1 . 199 . . 61 LEU N . 19911 1 90 . 1 1 11 11 PRO HA H 1 4.381 . . 1 . 6 . . 62 PRO HA . 19911 1 91 . 1 1 11 11 PRO HB2 H 1 2.221 . . 2 . 51 . . 62 PRO HB2 . 19911 1 92 . 1 1 11 11 PRO HB3 H 1 1.428 . . 2 . 49 . . 62 PRO HB3 . 19911 1 93 . 1 1 11 11 PRO HG2 H 1 1.798 . . 2 . 52 . . 62 PRO HG2 . 19911 1 94 . 1 1 11 11 PRO HG3 H 1 2.026 . . 2 . 54 . . 62 PRO HG3 . 19911 1 95 . 1 1 11 11 PRO HD2 H 1 3.844 . . 2 . 48 . . 62 PRO HD2 . 19911 1 96 . 1 1 11 11 PRO HD3 H 1 3.461 . . 2 . 46 . . 62 PRO HD3 . 19911 1 97 . 1 1 11 11 PRO CA C 13 63.112 . . 1 . 7 . . 62 PRO CA . 19911 1 98 . 1 1 11 11 PRO CB C 13 32.007 0.003 . 1 . 50 . . 62 PRO CB . 19911 1 99 . 1 1 11 11 PRO CG C 13 27.695 . . 1 . 53 . . 62 PRO CG . 19911 1 100 . 1 1 11 11 PRO CD C 13 50.474 0.001 . 1 . 47 . . 62 PRO CD . 19911 1 101 . 1 1 12 12 LEU H H 1 8.423 . . 1 . 149 . . 63 LEU H . 19911 1 102 . 1 1 12 12 LEU HA H 1 4.096 . . 1 . 162 . . 63 LEU HA . 19911 1 103 . 1 1 12 12 LEU HB2 H 1 1.679 . . 1 . 150 . . 63 LEU HB2 . 19911 1 104 . 1 1 12 12 LEU HB3 H 1 1.679 . . 1 . 151 . . 63 LEU HB3 . 19911 1 105 . 1 1 12 12 LEU HD11 H 1 0.960 . . 2 . 147 . . 63 LEU HD11 . 19911 1 106 . 1 1 12 12 LEU HD12 H 1 0.960 . . 2 . 147 . . 63 LEU HD12 . 19911 1 107 . 1 1 12 12 LEU HD13 H 1 0.960 . . 2 . 147 . . 63 LEU HD13 . 19911 1 108 . 1 1 12 12 LEU HD21 H 1 0.908 . . 2 . 145 . . 63 LEU HD21 . 19911 1 109 . 1 1 12 12 LEU HD22 H 1 0.908 . . 2 . 145 . . 63 LEU HD22 . 19911 1 110 . 1 1 12 12 LEU HD23 H 1 0.908 . . 2 . 145 . . 63 LEU HD23 . 19911 1 111 . 1 1 12 12 LEU CA C 13 57.164 . . 1 . 163 . . 63 LEU CA . 19911 1 112 . 1 1 12 12 LEU CB C 13 41.886 . . 1 . 152 . . 63 LEU CB . 19911 1 113 . 1 1 12 12 LEU CD1 C 13 24.517 . . 2 . 148 . . 63 LEU CD1 . 19911 1 114 . 1 1 12 12 LEU CD2 C 13 24.013 . . 2 . 146 . . 63 LEU CD2 . 19911 1 115 . 1 1 12 12 LEU N N 15 122.522 . . 1 . 204 . . 63 LEU N . 19911 1 116 . 1 1 13 13 TRP H H 1 7.859 . . 1 . 99 . . 64 TRP H . 19911 1 117 . 1 1 13 13 TRP HA H 1 4.558 . . 1 . 101 . . 64 TRP HA . 19911 1 118 . 1 1 13 13 TRP HB2 H 1 3.419 . . 2 . 98 . . 64 TRP HB2 . 19911 1 119 . 1 1 13 13 TRP HB3 H 1 3.343 . . 2 . 96 . . 64 TRP HB3 . 19911 1 120 . 1 1 13 13 TRP HE1 H 1 10.336 . . 1 . 194 . . 64 TRP HE1 . 19911 1 121 . 1 1 13 13 TRP CA C 13 58.335 . . 1 . 100 . . 64 TRP CA . 19911 1 122 . 1 1 13 13 TRP CB C 13 28.425 0.001 . 1 . 97 . . 64 TRP CB . 19911 1 123 . 1 1 13 13 TRP N N 15 117.881 . . 1 . 212 . . 64 TRP N . 19911 1 124 . 1 1 13 13 TRP NE1 N 15 130.107 . . 1 . 205 . . 64 TRP NE1 . 19911 1 125 . 1 1 14 14 LYS H H 1 7.337 . . 1 . 33 . . 65 LYS H . 19911 1 126 . 1 1 14 14 LYS HA H 1 4.069 . . 1 . 31 . . 65 LYS HA . 19911 1 127 . 1 1 14 14 LYS HB2 H 1 1.660 . . 2 . 39 . . 65 LYS HB2 . 19911 1 128 . 1 1 14 14 LYS HB3 H 1 1.300 . . 2 . 37 . . 65 LYS HB3 . 19911 1 129 . 1 1 14 14 LYS HG2 H 1 1.046 . . 1 . 42 . . 65 LYS HG2 . 19911 1 130 . 1 1 14 14 LYS HG3 H 1 1.011 . . 1 . 40 . . 65 LYS HG3 . 19911 1 131 . 1 1 14 14 LYS HD2 H 1 1.558 . . 1 . 43 . . 65 LYS HD2 . 19911 1 132 . 1 1 14 14 LYS HD3 H 1 1.558 . . 1 . 45 . . 65 LYS HD3 . 19911 1 133 . 1 1 14 14 LYS HE2 H 1 2.918 . . 1 . 34 . . 65 LYS HE2 . 19911 1 134 . 1 1 14 14 LYS HE3 H 1 2.918 . . 1 . 36 . . 65 LYS HE3 . 19911 1 135 . 1 1 14 14 LYS CA C 13 57.250 . . 1 . 32 . . 65 LYS CA . 19911 1 136 . 1 1 14 14 LYS CB C 13 32.917 . . 1 . 38 . . 65 LYS CB . 19911 1 137 . 1 1 14 14 LYS CG C 13 24.906 . . 1 . 41 . . 65 LYS CG . 19911 1 138 . 1 1 14 14 LYS CD C 13 29.264 . . 1 . 44 . . 65 LYS CD . 19911 1 139 . 1 1 14 14 LYS CE C 13 42.141 . . 1 . 35 . . 65 LYS CE . 19911 1 140 . 1 1 14 14 LYS N N 15 121.770 . . 1 . 206 . . 65 LYS N . 19911 1 141 . 1 1 15 15 GLN H H 1 7.894 . . 1 . 172 . . 66 GLN H . 19911 1 142 . 1 1 15 15 GLN HA H 1 4.058 . . 1 . 173 . . 66 GLN HA . 19911 1 143 . 1 1 15 15 GLN HB2 H 1 2.065 . . 1 . 168 . . 66 GLN HB2 . 19911 1 144 . 1 1 15 15 GLN HB3 H 1 2.065 . . 1 . 166 . . 66 GLN HB3 . 19911 1 145 . 1 1 15 15 GLN HG2 H 1 2.307 . . 2 . 171 . . 66 GLN HG2 . 19911 1 146 . 1 1 15 15 GLN HG3 H 1 2.116 . . 2 . 169 . . 66 GLN HG3 . 19911 1 147 . 1 1 15 15 GLN CA C 13 57.316 . . 1 . 174 . . 66 GLN CA . 19911 1 148 . 1 1 15 15 GLN CB C 13 29.102 . . 1 . 167 . . 66 GLN CB . 19911 1 149 . 1 1 15 15 GLN CG C 13 33.989 0.003 . 1 . 170 . . 66 GLN CG . 19911 1 150 . 1 1 15 15 GLN N N 15 119.768 . . 1 . 200 . . 66 GLN N . 19911 1 151 . 1 1 16 16 GLN H H 1 8.226 . . 1 . 156 . . 67 GLN H . 19911 1 152 . 1 1 16 16 GLN HA H 1 4.233 . . 1 . 161 . . 67 GLN HA . 19911 1 153 . 1 1 16 16 GLN HB2 H 1 2.098 . . 1 . 155 . . 67 GLN HB2 . 19911 1 154 . 1 1 16 16 GLN HB3 H 1 2.098 . . 1 . 153 . . 67 GLN HB3 . 19911 1 155 . 1 1 16 16 GLN HG2 H 1 2.446 . . 2 . 159 . . 67 GLN HG2 . 19911 1 156 . 1 1 16 16 GLN HG3 H 1 2.394 . . 2 . 157 . . 67 GLN HG3 . 19911 1 157 . 1 1 16 16 GLN CA C 13 56.886 . . 1 . 160 . . 67 GLN CA . 19911 1 158 . 1 1 16 16 GLN CB C 13 29.210 . . 1 . 154 . . 67 GLN CB . 19911 1 159 . 1 1 16 16 GLN CG C 13 33.938 0.006 . 1 . 158 . . 67 GLN CG . 19911 1 160 . 1 1 16 16 GLN N N 15 119.028 . . 1 . 210 . . 67 GLN N . 19911 1 161 . 1 1 17 17 ASN H H 1 8.150 . . 1 . 113 . . 68 ASN H . 19911 1 162 . 1 1 17 17 ASN HA H 1 4.680 . . 1 . 114 . . 68 ASN HA . 19911 1 163 . 1 1 17 17 ASN HB2 H 1 2.866 . . 2 . 117 . . 68 ASN HB2 . 19911 1 164 . 1 1 17 17 ASN HB3 H 1 2.750 . . 2 . 116 . . 68 ASN HB3 . 19911 1 165 . 1 1 17 17 ASN CA C 13 54.027 . . 1 . 115 . . 68 ASN CA . 19911 1 166 . 1 1 17 17 ASN CB C 13 38.740 0.001 . 1 . 118 . . 68 ASN CB . 19911 1 167 . 1 1 17 17 ASN N N 15 121.037 . . 1 . 215 . . 68 ASN N . 19911 1 168 . 1 1 18 18 LEU H H 1 8.092 . . 1 . 140 . . 69 LEU H . 19911 1 169 . 1 1 18 18 LEU HA H 1 4.326 . . 1 . 176 . . 69 LEU HA . 19911 1 170 . 1 1 18 18 LEU HB2 H 1 1.626 . . 2 . 139 . . 69 LEU HB2 . 19911 1 171 . 1 1 18 18 LEU HB3 H 1 1.753 . . 2 . 137 . . 69 LEU HB3 . 19911 1 172 . 1 1 18 18 LEU HG H 1 1.682 . . 1 . 201 . . 69 LEU HG . 19911 1 173 . 1 1 18 18 LEU HD11 H 1 0.908 . . 2 . 141 . . 69 LEU HD11 . 19911 1 174 . 1 1 18 18 LEU HD12 H 1 0.908 . . 2 . 141 . . 69 LEU HD12 . 19911 1 175 . 1 1 18 18 LEU HD13 H 1 0.908 . . 2 . 141 . . 69 LEU HD13 . 19911 1 176 . 1 1 18 18 LEU HD21 H 1 0.933 . . 2 . 143 . . 69 LEU HD21 . 19911 1 177 . 1 1 18 18 LEU HD22 H 1 0.933 . . 2 . 143 . . 69 LEU HD22 . 19911 1 178 . 1 1 18 18 LEU HD23 H 1 0.933 . . 2 . 143 . . 69 LEU HD23 . 19911 1 179 . 1 1 18 18 LEU CA C 13 55.967 . . 1 . 177 . . 69 LEU CA . 19911 1 180 . 1 1 18 18 LEU CB C 13 42.372 0.006 . 1 . 138 . . 69 LEU CB . 19911 1 181 . 1 1 18 18 LEU CG C 13 27.154 . . 1 . 202 . . 69 LEU CG . 19911 1 182 . 1 1 18 18 LEU CD1 C 13 23.373 . . 2 . 142 . . 69 LEU CD1 . 19911 1 183 . 1 1 18 18 LEU CD2 C 13 25.300 . . 2 . 144 . . 69 LEU CD2 . 19911 1 184 . 1 1 18 18 LEU N N 15 121.918 . . 1 . 209 . . 69 LEU N . 19911 1 185 . 1 1 20 20 LYS HA H 1 4.308 . . 1 . 181 . . 71 LYS HA . 19911 1 186 . 1 1 20 20 LYS HB2 H 1 1.835 . . 2 . 186 . . 71 LYS HB2 . 19911 1 187 . 1 1 20 20 LYS HB3 H 1 1.900 . . 2 . 185 . . 71 LYS HB3 . 19911 1 188 . 1 1 20 20 LYS HG2 H 1 1.527 . . 1 . 190 . . 71 LYS HG2 . 19911 1 189 . 1 1 20 20 LYS HG3 H 1 1.527 . . 1 . 189 . . 71 LYS HG3 . 19911 1 190 . 1 1 20 20 LYS HD2 H 1 1.720 . . 1 . 182 . . 71 LYS HD2 . 19911 1 191 . 1 1 20 20 LYS HD3 H 1 1.720 . . 1 . 184 . . 71 LYS HD3 . 19911 1 192 . 1 1 20 20 LYS HE2 H 1 3.022 . . 1 . 87 . . 71 LYS HE2 . 19911 1 193 . 1 1 20 20 LYS HE3 H 1 3.022 . . 1 . 85 . . 71 LYS HE3 . 19911 1 194 . 1 1 20 20 LYS CA C 13 56.823 . . 1 . 188 . . 71 LYS CA . 19911 1 195 . 1 1 20 20 LYS CB C 13 32.832 0.004 . 1 . 187 . . 71 LYS CB . 19911 1 196 . 1 1 20 20 LYS CG C 13 24.956 . . 1 . 191 . . 71 LYS CG . 19911 1 197 . 1 1 20 20 LYS CD C 13 29.213 . . 1 . 183 . . 71 LYS CD . 19911 1 198 . 1 1 20 20 LYS CE C 13 42.216 . . 1 . 86 . . 71 LYS CE . 19911 1 199 . 1 1 21 21 GLU HA H 1 4.295 . . 1 . 179 . . 72 GLU HA . 19911 1 200 . 1 1 21 21 GLU HB2 H 1 2.010 . . 2 . 80 . . 72 GLU HB2 . 19911 1 201 . 1 1 21 21 GLU HB3 H 1 2.098 . . 2 . 81 . . 72 GLU HB3 . 19911 1 202 . 1 1 21 21 GLU HG2 H 1 2.320 . . 1 . 84 . . 72 GLU HG2 . 19911 1 203 . 1 1 21 21 GLU HG3 H 1 2.320 . . 1 . 82 . . 72 GLU HG3 . 19911 1 204 . 1 1 21 21 GLU CA C 13 56.883 . . 1 . 180 . . 72 GLU CA . 19911 1 205 . 1 1 21 21 GLU CB C 13 30.358 . . 1 . 79 . . 72 GLU CB . 19911 1 206 . 1 1 21 21 GLU CG C 13 36.337 . . 1 . 83 . . 72 GLU CG . 19911 1 207 . 1 1 22 22 LYS H H 1 8.164 . . 1 . 198 . . 73 LYS H . 19911 1 208 . 1 1 22 22 LYS HA H 1 4.275 . . 1 . 192 . . 73 LYS HA . 19911 1 209 . 1 1 22 22 LYS HG2 H 1 1.438 . . 1 . 195 . . 73 LYS HG2 . 19911 1 210 . 1 1 22 22 LYS HG3 H 1 1.438 . . 1 . 197 . . 73 LYS HG3 . 19911 1 211 . 1 1 22 22 LYS CA C 13 56.936 . . 1 . 193 . . 73 LYS CA . 19911 1 212 . 1 1 22 22 LYS CG C 13 24.915 . . 1 . 196 . . 73 LYS CG . 19911 1 213 . 1 1 22 22 LYS N N 15 121.978 . . 1 . 216 . . 73 LYS N . 19911 1 214 . 1 1 23 23 GLY H H 1 8.350 . . 1 . 175 . . 74 GLY H . 19911 1 215 . 1 1 23 23 GLY HA2 H 1 3.950 . . 1 . 12 . . 74 GLY HA2 . 19911 1 216 . 1 1 23 23 GLY HA3 H 1 3.950 . . 1 . 10 . . 74 GLY HA3 . 19911 1 217 . 1 1 23 23 GLY CA C 13 45.455 . . 1 . 11 . . 74 GLY CA . 19911 1 218 . 1 1 23 23 GLY N N 15 109.387 . . 1 . 203 . . 74 GLY N . 19911 1 219 . 1 1 24 24 LEU H H 1 8.033 . . 1 . 74 . . 75 LEU H . 19911 1 220 . 1 1 24 24 LEU HA H 1 4.251 . . 1 . 78 . . 75 LEU HA . 19911 1 221 . 1 1 24 24 LEU HB2 H 1 1.470 . . 2 . 77 . . 75 LEU HB2 . 19911 1 222 . 1 1 24 24 LEU HB3 H 1 1.369 . . 2 . 75 . . 75 LEU HB3 . 19911 1 223 . 1 1 24 24 LEU HG H 1 1.477 . . 1 . 164 . . 75 LEU HG . 19911 1 224 . 1 1 24 24 LEU HD11 H 1 0.823 . . 2 . 70 . . 75 LEU HD11 . 19911 1 225 . 1 1 24 24 LEU HD12 H 1 0.823 . . 2 . 70 . . 75 LEU HD12 . 19911 1 226 . 1 1 24 24 LEU HD13 H 1 0.823 . . 2 . 70 . . 75 LEU HD13 . 19911 1 227 . 1 1 24 24 LEU HD21 H 1 0.884 . . 2 . 72 . . 75 LEU HD21 . 19911 1 228 . 1 1 24 24 LEU HD22 H 1 0.884 . . 2 . 72 . . 75 LEU HD22 . 19911 1 229 . 1 1 24 24 LEU HD23 H 1 0.884 . . 2 . 72 . . 75 LEU HD23 . 19911 1 230 . 1 1 24 24 LEU CA C 13 55.554 . . 1 . 178 . . 75 LEU CA . 19911 1 231 . 1 1 24 24 LEU CB C 13 42.421 0.001 . 1 . 76 . . 75 LEU CB . 19911 1 232 . 1 1 24 24 LEU CG C 13 26.906 . . 1 . 165 . . 75 LEU CG . 19911 1 233 . 1 1 24 24 LEU CD1 C 13 23.534 . . 2 . 71 . . 75 LEU CD1 . 19911 1 234 . 1 1 24 24 LEU CD2 C 13 24.900 . . 2 . 73 . . 75 LEU CD2 . 19911 1 235 . 1 1 24 24 LEU N N 15 121.679 . . 1 . 208 . . 75 LEU N . 19911 1 236 . 1 1 25 25 PHE H H 1 8.170 . . 1 . 66 . . 76 PHE H . 19911 1 237 . 1 1 25 25 PHE HA H 1 4.638 . . 1 . 64 . . 76 PHE HA . 19911 1 238 . 1 1 25 25 PHE HB2 H 1 3.245 . . 2 . 69 . . 76 PHE HB2 . 19911 1 239 . 1 1 25 25 PHE HB3 H 1 2.993 . . 2 . 67 . . 76 PHE HB3 . 19911 1 240 . 1 1 25 25 PHE CA C 13 57.359 . . 1 . 65 . . 76 PHE CA . 19911 1 241 . 1 1 25 25 PHE CB C 13 39.519 0.04 . 1 . 68 . . 76 PHE CB . 19911 1 242 . 1 1 25 25 PHE N N 15 120.058 . . 1 . 211 . . 76 PHE N . 19911 1 stop_ save_