################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7246 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.08 _Assigned_chem_shift_list.Chem_shift_15N_err 0.07 _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 ; 1H, 13C and 15N backbone chemical shifts of the RUNT domain of PEBP2-alpha A1 residues 90-225 with no corrections for 15N and 13C chemical shifts due to the effects of the 2H isotope. ; _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 $sample_1 isotropic 7246 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 4 $software_4 . . 7246 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 ASP CA C 13 53.91 0.08 . 1 . . . . 90 ASP CA . 7246 1 2 . 1 1 1 1 ASP CB C 13 41.32 0.08 . 1 . . . . 90 ASP CB . 7246 1 3 . 1 1 2 2 ASN H H 1 8.63 0.02 . 1 . . . . 91 ASN H . 7246 1 4 . 1 1 2 2 ASN CA C 13 53.09 0.08 . 1 . . . . 91 ASN CA . 7246 1 5 . 1 1 2 2 ASN CB C 13 38.41 0.08 . 1 . . . . 91 ASN CB . 7246 1 6 . 1 1 2 2 ASN N N 15 120.23 0.07 . 1 . . . . 91 ASN N . 7246 1 7 . 1 1 3 3 ARG H H 1 8.34 0.02 . 1 . . . . 92 ARG H . 7246 1 8 . 1 1 3 3 ARG CA C 13 56.29 0.08 . 1 . . . . 92 ARG CA . 7246 1 9 . 1 1 3 3 ARG CB C 13 29.94 0.08 . 1 . . . . 92 ARG CB . 7246 1 10 . 1 1 3 3 ARG N N 15 121.2 0.07 . 1 . . . . 92 ARG N . 7246 1 11 . 1 1 4 4 THR H H 1 8.25 0.02 . 1 . . . . 93 THR H . 7246 1 12 . 1 1 4 4 THR CA C 13 61.84 0.08 . 1 . . . . 93 THR CA . 7246 1 13 . 1 1 4 4 THR CB C 13 69.49 0.08 . 1 . . . . 93 THR CB . 7246 1 14 . 1 1 4 4 THR N N 15 114.53 0.07 . 1 . . . . 93 THR N . 7246 1 15 . 1 1 5 5 MET H H 1 8.41 0.02 . 1 . . . . 94 MET H . 7246 1 16 . 1 1 5 5 MET CA C 13 55.72 0.08 . 1 . . . . 94 MET CA . 7246 1 17 . 1 1 5 5 MET N N 15 122.15 0.07 . 1 . . . . 94 MET N . 7246 1 18 . 1 1 6 6 VAL H H 1 8.04 0.02 . 1 . . . . 95 VAL H . 7246 1 19 . 1 1 6 6 VAL CA C 13 62.74 0.08 . 1 . . . . 95 VAL CA . 7246 1 20 . 1 1 6 6 VAL CB C 13 31.87 0.08 . 1 . . . . 95 VAL CB . 7246 1 21 . 1 1 6 6 VAL N N 15 120.24 0.07 . 1 . . . . 95 VAL N . 7246 1 22 . 1 1 7 7 GLU H H 1 8.25 0.02 . 1 . . . . 96 GLU H . 7246 1 23 . 1 1 7 7 GLU CA C 13 56.50 0.08 . 1 . . . . 96 GLU CA . 7246 1 24 . 1 1 7 7 GLU CB C 13 29.69 0.08 . 1 . . . . 96 GLU CB . 7246 1 25 . 1 1 7 7 GLU N N 15 123.69 0.07 . 1 . . . . 96 GLU N . 7246 1 26 . 1 1 8 8 ILE H H 1 8.23 0.02 . 1 . . . . 97 ILE H . 7246 1 27 . 1 1 8 8 ILE CA C 13 61.31 0.08 . 1 . . . . 97 ILE CA . 7246 1 28 . 1 1 8 8 ILE CB C 13 37.52 0.08 . 1 . . . . 97 ILE CB . 7246 1 29 . 1 1 8 8 ILE N N 15 122.45 0.07 . 1 . . . . 97 ILE N . 7246 1 30 . 1 1 9 9 ILE H H 1 8.26 0.02 . 1 . . . . 98 ILE H . 7246 1 31 . 1 1 9 9 ILE CA C 13 60.50 0.08 . 1 . . . . 98 ILE CA . 7246 1 32 . 1 1 9 9 ILE CB C 13 37.44 0.08 . 1 . . . . 98 ILE CB . 7246 1 33 . 1 1 9 9 ILE N N 15 124.37 0.07 . 1 . . . . 98 ILE N . 7246 1 34 . 1 1 10 10 ALA H H 1 8.34 0.02 . 1 . . . . 99 ALA H . 7246 1 35 . 1 1 10 10 ALA CA C 13 51.99 0.08 . 1 . . . . 99 ALA CA . 7246 1 36 . 1 1 10 10 ALA CB C 13 18.55 0.08 . 1 . . . . 99 ALA CB . 7246 1 37 . 1 1 10 10 ALA N N 15 128.02 0.07 . 1 . . . . 99 ALA N . 7246 1 38 . 1 1 11 11 ASP H H 1 8.13 0.02 . 1 . . . . 100 ASP H . 7246 1 39 . 1 1 11 11 ASP CA C 13 54.11 0.08 . 1 . . . . 100 ASP CA . 7246 1 40 . 1 1 11 11 ASP CB C 13 40.51 0.08 . 1 . . . . 100 ASP CB . 7246 1 41 . 1 1 11 11 ASP N N 15 118.69 0.07 . 1 . . . . 100 ASP N . 7246 1 42 . 1 1 12 12 HIS H H 1 8.22 0.02 . 1 . . . . 101 HIS H . 7246 1 43 . 1 1 12 12 HIS CA C 13 53.87 0.08 . 1 . . . . 101 HIS CA . 7246 1 44 . 1 1 12 12 HIS CB C 13 28.64 0.08 . 1 . . . . 101 HIS CB . 7246 1 45 . 1 1 12 12 HIS N N 15 119.19 0.07 . 1 . . . . 101 HIS N . 7246 1 46 . 1 1 13 13 PRO CB C 13 31.39 0.08 . 1 . . . . 102 PRO CB . 7246 1 47 . 1 1 14 14 ALA H H 1 8.51 0.02 . 1 . . . . 103 ALA H . 7246 1 48 . 1 1 14 14 ALA CA C 13 52.15 0.08 . 1 . . . . 103 ALA CA . 7246 1 49 . 1 1 14 14 ALA CB C 13 18.80 0.08 . 1 . . . . 103 ALA CB . 7246 1 50 . 1 1 14 14 ALA N N 15 123.88 0.07 . 1 . . . . 103 ALA N . 7246 1 51 . 1 1 15 15 GLU H H 1 8.31 0.02 . 1 . . . . 104 GLU H . 7246 1 52 . 1 1 15 15 GLU CA C 13 56.56 0.08 . 1 . . . . 104 GLU CA . 7246 1 53 . 1 1 15 15 GLU CB C 13 29.61 0.08 . 1 . . . . 104 GLU CB . 7246 1 54 . 1 1 15 15 GLU N N 15 119.37 0.07 . 1 . . . . 104 GLU N . 7246 1 55 . 1 1 16 16 LEU H H 1 7.96 0.02 . 1 . . . . 105 LEU H . 7246 1 56 . 1 1 16 16 LEU CA C 13 52.99 0.08 . 1 . . . . 105 LEU CA . 7246 1 57 . 1 1 16 16 LEU CB C 13 43.90 0.08 . 1 . . . . 105 LEU CB . 7246 1 58 . 1 1 16 16 LEU N N 15 120.52 0.07 . 1 . . . . 105 LEU N . 7246 1 59 . 1 1 17 17 VAL H H 1 9.49 0.02 . 1 . . . . 106 VAL H . 7246 1 60 . 1 1 17 17 VAL CA C 13 59.03 0.08 . 1 . . . . 106 VAL CA . 7246 1 61 . 1 1 17 17 VAL N N 15 118.12 0.07 . 1 . . . . 106 VAL N . 7246 1 62 . 1 1 19 19 THR H H 1 7.93 0.02 . 1 . . . . 108 THR H . 7246 1 63 . 1 1 19 19 THR CB C 13 70.06 0.08 . 1 . . . . 108 THR CB . 7246 1 64 . 1 1 19 19 THR N N 15 110.52 0.07 . 1 . . . . 108 THR N . 7246 1 65 . 1 1 20 20 ASP H H 1 8.63 0.02 . 1 . . . . 109 ASP H . 7246 1 66 . 1 1 20 20 ASP CA C 13 54.46 0.08 . 1 . . . . 109 ASP CA . 7246 1 67 . 1 1 20 20 ASP CB C 13 39.38 0.08 . 1 . . . . 109 ASP CB . 7246 1 68 . 1 1 20 20 ASP N N 15 117.01 0.07 . 1 . . . . 109 ASP N . 7246 1 69 . 1 1 21 21 SER H H 1 8.44 0.02 . 1 . . . . 110 SER H . 7246 1 70 . 1 1 21 21 SER CA C 13 53.27 0.08 . 1 . . . . 110 SER CA . 7246 1 71 . 1 1 21 21 SER N N 15 115.66 0.07 . 1 . . . . 110 SER N . 7246 1 72 . 1 1 23 23 ASN H H 1 7.86 0.02 . 1 . . . . 112 ASN H . 7246 1 73 . 1 1 23 23 ASN CA C 13 52.80 0.08 . 1 . . . . 112 ASN CA . 7246 1 74 . 1 1 23 23 ASN CB C 13 39.26 0.08 . 1 . . . . 112 ASN CB . 7246 1 75 . 1 1 23 23 ASN N N 15 112.28 0.07 . 1 . . . . 112 ASN N . 7246 1 76 . 1 1 24 24 PHE H H 1 7.39 0.02 . 1 . . . . 113 PHE H . 7246 1 77 . 1 1 24 24 PHE CA C 13 57.27 0.08 . 1 . . . . 113 PHE CA . 7246 1 78 . 1 1 24 24 PHE CB C 13 42.65 0.08 . 1 . . . . 113 PHE CB . 7246 1 79 . 1 1 24 24 PHE N N 15 114.24 0.07 . 1 . . . . 113 PHE N . 7246 1 80 . 1 1 25 25 LEU H H 1 9.35 0.02 . 1 . . . . 114 LEU H . 7246 1 81 . 1 1 25 25 LEU CA C 13 52.78 0.08 . 1 . . . . 114 LEU CA . 7246 1 82 . 1 1 25 25 LEU CB C 13 45.25 0.08 . 1 . . . . 114 LEU CB . 7246 1 83 . 1 1 25 25 LEU N N 15 123.92 0.07 . 1 . . . . 114 LEU N . 7246 1 84 . 1 1 27 27 SER H H 1 7.99 0.02 . 1 . . . . 116 SER H . 7246 1 85 . 1 1 27 27 SER N N 15 114.88 0.07 . 1 . . . . 116 SER N . 7246 1 86 . 1 1 28 28 VAL H H 1 7.62 0.02 . 1 . . . . 117 VAL H . 7246 1 87 . 1 1 28 28 VAL N N 15 117.69 0.07 . 1 . . . . 117 VAL N . 7246 1 88 . 1 1 29 29 LEU H H 1 8.03 0.02 . 1 . . . . 118 LEU H . 7246 1 89 . 1 1 29 29 LEU CA C 13 51.56 0.08 . 1 . . . . 118 LEU CA . 7246 1 90 . 1 1 29 29 LEU N N 15 128.95 0.07 . 1 . . . . 118 LEU N . 7246 1 91 . 1 1 32 32 HIS H H 1 7.63 0.02 . 1 . . . . 121 HIS H . 7246 1 92 . 1 1 32 32 HIS N N 15 120.59 0.07 . 1 . . . . 121 HIS N . 7246 1 93 . 1 1 33 33 TRP H H 1 8.73 0.02 . 1 . . . . 122 TRP H . 7246 1 94 . 1 1 33 33 TRP N N 15 125.26 0.07 . 1 . . . . 122 TRP N . 7246 1 95 . 1 1 36 36 ASN H H 1 9.49 0.02 . 1 . . . . 125 ASN H . 7246 1 96 . 1 1 36 36 ASN N N 15 117.76 0.07 . 1 . . . . 125 ASN N . 7246 1 97 . 1 1 37 37 LYS H H 1 7.64 0.02 . 1 . . . . 126 LYS H . 7246 1 98 . 1 1 37 37 LYS N N 15 120.01 0.07 . 1 . . . . 126 LYS N . 7246 1 99 . 1 1 41 41 VAL H H 1 6.95 0.02 . 1 . . . . 130 VAL H . 7246 1 100 . 1 1 41 41 VAL N N 15 114.10 0.07 . 1 . . . . 130 VAL N . 7246 1 101 . 1 1 42 42 ALA H H 1 8.23 0.02 . 1 . . . . 131 ALA H . 7246 1 102 . 1 1 42 42 ALA CA C 13 52.17 0.08 . 1 . . . . 131 ALA CA . 7246 1 103 . 1 1 42 42 ALA N N 15 126.91 0.07 . 1 . . . . 131 ALA N . 7246 1 104 . 1 1 43 43 PHE H H 1 8.42 0.02 . 1 . . . . 132 PHE H . 7246 1 105 . 1 1 43 43 PHE N N 15 124.48 0.07 . 1 . . . . 132 PHE N . 7246 1 106 . 1 1 44 44 LYS H H 1 8.13 0.02 . 1 . . . . 133 LYS H . 7246 1 107 . 1 1 44 44 LYS N N 15 125.22 0.07 . 1 . . . . 133 LYS N . 7246 1 108 . 1 1 45 45 VAL H H 1 8.43 0.02 . 1 . . . . 134 VAL H . 7246 1 109 . 1 1 45 45 VAL N N 15 118.93 0.07 . 1 . . . . 134 VAL N . 7246 1 110 . 1 1 46 46 VAL H H 1 9.06 0.02 . 1 . . . . 135 VAL H . 7246 1 111 . 1 1 46 46 VAL CA C 13 60.56 0.08 . 1 . . . . 135 VAL CA . 7246 1 112 . 1 1 46 46 VAL N N 15 127.61 0.07 . 1 . . . . 135 VAL N . 7246 1 113 . 1 1 47 47 ALA H H 1 9.23 0.02 . 1 . . . . 136 ALA H . 7246 1 114 . 1 1 47 47 ALA CA C 13 50.13 0.08 . 1 . . . . 136 ALA CA . 7246 1 115 . 1 1 47 47 ALA N N 15 129.05 0.07 . 1 . . . . 136 ALA N . 7246 1 116 . 1 1 48 48 LEU H H 1 8.15 0.02 . 1 . . . . 137 LEU H . 7246 1 117 . 1 1 48 48 LEU CA C 13 54.38 0.08 . 1 . . . . 137 LEU CA . 7246 1 118 . 1 1 48 48 LEU CB C 13 40.72 0.08 . 1 . . . . 137 LEU CB . 7246 1 119 . 1 1 48 48 LEU N N 15 121.16 0.07 . 1 . . . . 137 LEU N . 7246 1 120 . 1 1 49 49 GLY H H 1 8.07 0.02 . 1 . . . . 138 GLY H . 7246 1 121 . 1 1 49 49 GLY CA C 13 43.15 0.08 . 1 . . . . 138 GLY CA . 7246 1 122 . 1 1 49 49 GLY N N 15 109.09 0.07 . 1 . . . . 138 GLY N . 7246 1 123 . 1 1 50 50 GLU H H 1 8.23 0.02 . 1 . . . . 139 GLU H . 7246 1 124 . 1 1 50 50 GLU CA C 13 56.54 0.08 . 1 . . . . 139 GLU CA . 7246 1 125 . 1 1 50 50 GLU CB C 13 28.32 0.08 . 1 . . . . 139 GLU CB . 7246 1 126 . 1 1 50 50 GLU N N 15 119.23 0.07 . 1 . . . . 139 GLU N . 7246 1 127 . 1 1 51 51 VAL H H 1 8.29 0.02 . 1 . . . . 140 VAL H . 7246 1 128 . 1 1 51 51 VAL CA C 13 58.93 0.08 . 1 . . . . 140 VAL CA . 7246 1 129 . 1 1 51 51 VAL CB C 13 34.55 0.08 . 1 . . . . 140 VAL CB . 7246 1 130 . 1 1 51 51 VAL N N 15 126.70 0.07 . 1 . . . . 140 VAL N . 7246 1 131 . 1 1 52 52 PRO CA C 13 62.44 0.08 . 1 . . . . 141 PRO CA . 7246 1 132 . 1 1 53 53 ASP H H 1 9.16 0.02 . 1 . . . . 142 ASP H . 7246 1 133 . 1 1 53 53 ASP CA C 13 55.09 0.08 . 1 . . . . 142 ASP CA . 7246 1 134 . 1 1 53 53 ASP CB C 13 39.39 0.08 . 1 . . . . 142 ASP CB . 7246 1 135 . 1 1 53 53 ASP N N 15 125.65 0.07 . 1 . . . . 142 ASP N . 7246 1 136 . 1 1 54 54 GLY H H 1 9.16 0.02 . 1 . . . . 143 GLY H . 7246 1 137 . 1 1 54 54 GLY CA C 13 44.34 0.08 . 1 . . . . 143 GLY CA . 7246 1 138 . 1 1 54 54 GLY N N 15 110.15 0.07 . 1 . . . . 143 GLY N . 7246 1 139 . 1 1 55 55 THR H H 1 7.43 0.02 . 1 . . . . 144 THR H . 7246 1 140 . 1 1 55 55 THR CA C 13 64.30 0.08 . 1 . . . . 144 THR CA . 7246 1 141 . 1 1 55 55 THR N N 15 117.87 0.07 . 1 . . . . 144 THR N . 7246 1 142 . 1 1 56 56 VAL H H 1 8.91 0.02 . 1 . . . . 145 VAL H . 7246 1 143 . 1 1 56 56 VAL CA C 13 63.54 0.08 . 1 . . . . 145 VAL CA . 7246 1 144 . 1 1 56 56 VAL CB C 13 31.59 0.08 . 1 . . . . 145 VAL CB . 7246 1 145 . 1 1 56 56 VAL N N 15 130.77 0.07 . 1 . . . . 145 VAL N . 7246 1 146 . 1 1 57 57 VAL H H 1 8.76 0.02 . 1 . . . . 146 VAL H . 7246 1 147 . 1 1 57 57 VAL CB C 13 34.06 0.08 . 1 . . . . 146 VAL CB . 7246 1 148 . 1 1 57 57 VAL N N 15 126.82 0.07 . 1 . . . . 146 VAL N . 7246 1 149 . 1 1 58 58 THR H H 1 9.43 0.02 . 1 . . . . 147 THR H . 7246 1 150 . 1 1 58 58 THR N N 15 116.22 0.07 . 1 . . . . 147 THR N . 7246 1 151 . 1 1 59 59 VAL H H 1 8.27 0.02 . 1 . . . . 148 VAL H . 7246 1 152 . 1 1 59 59 VAL N N 15 117.43 0.07 . 1 . . . . 148 VAL N . 7246 1 153 . 1 1 60 60 MET H H 1 8.38 0.02 . 1 . . . . 149 MET H . 7246 1 154 . 1 1 60 60 MET N N 15 122.18 0.07 . 1 . . . . 149 MET N . 7246 1 155 . 1 1 61 61 ALA H H 1 8.95 0.02 . 1 . . . . 150 ALA H . 7246 1 156 . 1 1 61 61 ALA N N 15 124.90 0.07 . 1 . . . . 150 ALA N . 7246 1 157 . 1 1 62 62 GLY H H 1 8.15 0.02 . 1 . . . . 151 GLY H . 7246 1 158 . 1 1 62 62 GLY N N 15 105.11 0.07 . 1 . . . . 151 GLY N . 7246 1 159 . 1 1 63 63 ASN H H 1 8.78 0.02 . 1 . . . . 152 ASN H . 7246 1 160 . 1 1 63 63 ASN N N 15 117.91 0.07 . 1 . . . . 152 ASN N . 7246 1 161 . 1 1 64 64 ASP H H 1 8.47 0.02 . 1 . . . . 153 ASP H . 7246 1 162 . 1 1 64 64 ASP N N 15 115.67 0.07 . 1 . . . . 153 ASP N . 7246 1 163 . 1 1 67 67 TYR H H 1 8.38 0.02 . 1 . . . . 156 TYR H . 7246 1 164 . 1 1 67 67 TYR N N 15 122.50 0.07 . 1 . . . . 156 TYR N . 7246 1 165 . 1 1 69 69 ALA H H 1 8.60 0.02 . 1 . . . . 158 ALA H . 7246 1 166 . 1 1 69 69 ALA N N 15 128.61 0.07 . 1 . . . . 158 ALA N . 7246 1 167 . 1 1 71 71 LEU H H 1 8.75 0.02 . 1 . . . . 160 LEU H . 7246 1 168 . 1 1 71 71 LEU N N 15 127.69 0.07 . 1 . . . . 160 LEU N . 7246 1 169 . 1 1 73 73 ASN H H 1 9.01 0.02 . 1 . . . . 162 ASN H . 7246 1 170 . 1 1 73 73 ASN N N 15 118.22 0.07 . 1 . . . . 162 ASN N . 7246 1 171 . 1 1 74 74 ALA H H 1 8.12 0.02 . 1 . . . . 163 ALA H . 7246 1 172 . 1 1 74 74 ALA N N 15 119.56 0.07 . 1 . . . . 163 ALA N . 7246 1 173 . 1 1 75 75 SER H H 1 7.65 0.02 . 1 . . . . 164 SER H . 7246 1 174 . 1 1 75 75 SER CA C 13 57.05 0.08 . 1 . . . . 164 SER CA . 7246 1 175 . 1 1 75 75 SER N N 15 112.15 0.07 . 1 . . . . 164 SER N . 7246 1 176 . 1 1 76 76 ALA H H 1 9.30 0.02 . 1 . . . . 165 ALA H . 7246 1 177 . 1 1 76 76 ALA CA C 13 50.25 0.08 . 1 . . . . 165 ALA CA . 7246 1 178 . 1 1 76 76 ALA CB C 13 20.04 0.08 . 1 . . . . 165 ALA CB . 7246 1 179 . 1 1 76 76 ALA N N 15 127.52 0.07 . 1 . . . . 165 ALA N . 7246 1 180 . 1 1 77 77 VAL H H 1 8.12 0.02 . 1 . . . . 166 VAL H . 7246 1 181 . 1 1 77 77 VAL CA C 13 59.84 0.08 . 1 . . . . 166 VAL CA . 7246 1 182 . 1 1 77 77 VAL CB C 13 33.88 0.08 . 1 . . . . 166 VAL CB . 7246 1 183 . 1 1 77 77 VAL N N 15 115.59 0.07 . 1 . . . . 166 VAL N . 7246 1 184 . 1 1 78 78 MET H H 1 8.95 0.02 . 1 . . . . 167 MET H . 7246 1 185 . 1 1 78 78 MET CA C 13 55.71 0.08 . 1 . . . . 167 MET CA . 7246 1 186 . 1 1 78 78 MET N N 15 125.06 0.07 . 1 . . . . 167 MET N . 7246 1 187 . 1 1 79 79 LYS H H 1 8.75 0.02 . 1 . . . . 168 LYS H . 7246 1 188 . 1 1 79 79 LYS CA C 13 55.66 0.08 . 1 . . . . 168 LYS CA . 7246 1 189 . 1 1 79 79 LYS CB C 13 33.70 0.08 . 1 . . . . 168 LYS CB . 7246 1 190 . 1 1 79 79 LYS N N 15 125.33 0.07 . 1 . . . . 168 LYS N . 7246 1 191 . 1 1 80 80 ASN H H 1 10.04 0.02 . 1 . . . . 169 ASN H . 7246 1 192 . 1 1 80 80 ASN CA C 13 54.50 0.08 . 1 . . . . 169 ASN CA . 7246 1 193 . 1 1 80 80 ASN CB C 13 37.21 0.08 . 1 . . . . 169 ASN CB . 7246 1 194 . 1 1 80 80 ASN N N 15 127.26 0.07 . 1 . . . . 169 ASN N . 7246 1 195 . 1 1 81 81 GLN H H 1 9.31 0.02 . 1 . . . . 170 GLN H . 7246 1 196 . 1 1 81 81 GLN CA C 13 58.35 0.08 . 1 . . . . 170 GLN CA . 7246 1 197 . 1 1 81 81 GLN CB C 13 25.78 0.08 . 1 . . . . 170 GLN CB . 7246 1 198 . 1 1 81 81 GLN N N 15 105.82 0.07 . 1 . . . . 170 GLN N . 7246 1 199 . 1 1 82 82 VAL H H 1 7.60 0.02 . 1 . . . . 171 VAL H . 7246 1 200 . 1 1 82 82 VAL CA C 13 60.78 0.08 . 1 . . . . 171 VAL CA . 7246 1 201 . 1 1 82 82 VAL CB C 13 34.67 0.08 . 1 . . . . 171 VAL CB . 7246 1 202 . 1 1 82 82 VAL N N 15 117.46 0.07 . 1 . . . . 171 VAL N . 7246 1 203 . 1 1 83 83 ALA H H 1 9.49 0.02 . 1 . . . . 172 ALA H . 7246 1 204 . 1 1 83 83 ALA N N 15 132.00 0.07 . 1 . . . . 172 ALA N . 7246 1 205 . 1 1 84 84 ARG H H 1 8.69 0.02 . 1 . . . . 173 ARG H . 7246 1 206 . 1 1 84 84 ARG N N 15 123.81 0.07 . 1 . . . . 173 ARG N . 7246 1 207 . 1 1 85 85 PHE H H 1 9.24 0.02 . 1 . . . . 174 PHE H . 7246 1 208 . 1 1 85 85 PHE N N 15 126.88 0.07 . 1 . . . . 174 PHE N . 7246 1 209 . 1 1 86 86 ASN H H 1 9.13 0.02 . 1 . . . . 175 ASN H . 7246 1 210 . 1 1 86 86 ASN N N 15 125.59 0.07 . 1 . . . . 175 ASN N . 7246 1 211 . 1 1 87 87 ASP H H 1 8.89 0.02 . 1 . . . . 176 ASP H . 7246 1 212 . 1 1 87 87 ASP N N 15 120.22 0.07 . 1 . . . . 176 ASP N . 7246 1 213 . 1 1 88 88 LEU H H 1 7.83 0.02 . 1 . . . . 177 LEU H . 7246 1 214 . 1 1 88 88 LEU N N 15 122.61 0.07 . 1 . . . . 177 LEU N . 7246 1 215 . 1 1 90 90 PHE H H 1 9.13 0.02 . 1 . . . . 179 PHE H . 7246 1 216 . 1 1 90 90 PHE CA C 13 56.74 0.08 . 1 . . . . 179 PHE CA . 7246 1 217 . 1 1 90 90 PHE N N 15 121.00 0.07 . 1 . . . . 179 PHE N . 7246 1 218 . 1 1 93 93 ARG H H 1 8.13 0.02 . 1 . . . . 182 ARG H . 7246 1 219 . 1 1 93 93 ARG N N 15 115.72 0.07 . 1 . . . . 182 ARG N . 7246 1 220 . 1 1 100 100 PHE H H 1 9.08 0.02 . 1 . . . . 189 PHE H . 7246 1 221 . 1 1 100 100 PHE N N 15 119.98 0.07 . 1 . . . . 189 PHE N . 7246 1 222 . 1 1 103 103 THR H H 1 9.11 0.02 . 1 . . . . 192 THR H . 7246 1 223 . 1 1 103 103 THR N N 15 120.79 0.07 . 1 . . . . 192 THR N . 7246 1 224 . 1 1 104 104 ILE H H 1 9.69 0.02 . 1 . . . . 193 ILE H . 7246 1 225 . 1 1 104 104 ILE N N 15 132.48 0.07 . 1 . . . . 193 ILE N . 7246 1 226 . 1 1 105 105 THR H H 1 8.82 0.02 . 1 . . . . 194 THR H . 7246 1 227 . 1 1 105 105 THR CA C 13 61.82 0.08 . 1 . . . . 194 THR CA . 7246 1 228 . 1 1 105 105 THR CB C 13 68.11 0.08 . 1 . . . . 194 THR CB . 7246 1 229 . 1 1 105 105 THR N N 15 122.81 0.07 . 1 . . . . 194 THR N . 7246 1 230 . 1 1 106 106 VAL H H 1 9.08 0.02 . 1 . . . . 195 VAL H . 7246 1 231 . 1 1 106 106 VAL CA C 13 60.47 0.08 . 1 . . . . 195 VAL CA . 7246 1 232 . 1 1 106 106 VAL CB C 13 32.07 0.08 . 1 . . . . 195 VAL CB . 7246 1 233 . 1 1 106 106 VAL N N 15 126.14 0.07 . 1 . . . . 195 VAL N . 7246 1 234 . 1 1 107 107 PHE H H 1 9.39 0.02 . 1 . . . . 196 PHE H . 7246 1 235 . 1 1 107 107 PHE CA C 13 60.54 0.08 . 1 . . . . 196 PHE CA . 7246 1 236 . 1 1 107 107 PHE CB C 13 35.33 0.08 . 1 . . . . 196 PHE CB . 7246 1 237 . 1 1 107 107 PHE N N 15 128.66 0.07 . 1 . . . . 196 PHE N . 7246 1 238 . 1 1 108 108 THR H H 1 8.11 0.02 . 1 . . . . 197 THR H . 7246 1 239 . 1 1 108 108 THR CA C 13 62.82 0.08 . 1 . . . . 197 THR CA . 7246 1 240 . 1 1 108 108 THR CB C 13 69.98 0.08 . 1 . . . . 197 THR CB . 7246 1 241 . 1 1 108 108 THR N N 15 111.15 0.07 . 1 . . . . 197 THR N . 7246 1 242 . 1 1 109 109 ASN H H 1 8.62 0.02 . 1 . . . . 198 ASN H . 7246 1 243 . 1 1 109 109 ASN CA C 13 49.36 0.08 . 1 . . . . 198 ASN CA . 7246 1 244 . 1 1 109 109 ASN CB C 13 39.45 0.08 . 1 . . . . 198 ASN CB . 7246 1 245 . 1 1 109 109 ASN N N 15 116.60 0.07 . 1 . . . . 198 ASN N . 7246 1 246 . 1 1 112 112 GLN H H 1 8.63 0.02 . 1 . . . . 201 GLN H . 7246 1 247 . 1 1 112 112 GLN CA C 13 54.15 0.08 . 1 . . . . 201 GLN CA . 7246 1 248 . 1 1 112 112 GLN CB C 13 32.98 0.08 . 1 . . . . 201 GLN CB . 7246 1 249 . 1 1 112 112 GLN N N 15 119.97 0.07 . 1 . . . . 201 GLN N . 7246 1 250 . 1 1 113 113 VAL H H 1 8.31 0.02 . 1 . . . . 202 VAL H . 7246 1 251 . 1 1 113 113 VAL CA C 13 60.07 0.08 . 1 . . . . 202 VAL CA . 7246 1 252 . 1 1 113 113 VAL N N 15 120.77 0.07 . 1 . . . . 202 VAL N . 7246 1 253 . 1 1 114 114 ALA H H 1 9.40 0.02 . 1 . . . . 203 ALA H . 7246 1 254 . 1 1 114 114 ALA N N 15 130.63 0.07 . 1 . . . . 203 ALA N . 7246 1 255 . 1 1 115 115 THR H H 1 9.17 0.02 . 1 . . . . 204 THR H . 7246 1 256 . 1 1 115 115 THR N N 15 117.71 0.07 . 1 . . . . 204 THR N . 7246 1 257 . 1 1 116 116 TYR H H 1 9.18 0.02 . 1 . . . . 205 TYR H . 7246 1 258 . 1 1 116 116 TYR N N 15 128.99 0.07 . 1 . . . . 205 TYR N . 7246 1 259 . 1 1 122 122 VAL H H 1 8.37 0.02 . 1 . . . . 211 VAL H . 7246 1 260 . 1 1 122 122 VAL CA C 13 61.11 0.08 . 1 . . . . 211 VAL CA . 7246 1 261 . 1 1 122 122 VAL N N 15 127.20 0.07 . 1 . . . . 211 VAL N . 7246 1 262 . 1 1 128 128 ARG H H 1 8.30 0.02 . 1 . . . . 217 ARG H . 7246 1 263 . 1 1 128 128 ARG N N 15 123.11 0.07 . 1 . . . . 217 ARG N . 7246 1 264 . 1 1 129 129 GLU H H 1 7.98 0.02 . 1 . . . . 218 GLU H . 7246 1 265 . 1 1 129 129 GLU N N 15 120.62 0.07 . 1 . . . . 218 GLU N . 7246 1 266 . 1 1 131 131 ARG H H 1 8.47 0.02 . 1 . . . . 220 ARG H . 7246 1 267 . 1 1 131 131 ARG N N 15 120.98 0.07 . 1 . . . . 220 ARG N . 7246 1 268 . 1 1 132 132 ARG H H 1 8.49 0.02 . 1 . . . . 221 ARG H . 7246 1 269 . 1 1 132 132 ARG CA C 13 55.20 0.08 . 1 . . . . 221 ARG CA . 7246 1 270 . 1 1 132 132 ARG CB C 13 29.89 0.08 . 1 . . . . 221 ARG CB . 7246 1 271 . 1 1 132 132 ARG N N 15 121.11 0.07 . 1 . . . . 221 ARG N . 7246 1 272 . 1 1 133 133 HIS H H 1 8.45 0.02 . 1 . . . . 222 HIS H . 7246 1 273 . 1 1 133 133 HIS CA C 13 55.46 0.08 . 1 . . . . 222 HIS CA . 7246 1 274 . 1 1 133 133 HIS N N 15 121.41 0.07 . 1 . . . . 222 HIS N . 7246 1 275 . 1 1 134 134 ARG H H 1 8.46 0.02 . 1 . . . . 223 ARG H . 7246 1 276 . 1 1 134 134 ARG N N 15 123.60 0.07 . 1 . . . . 223 ARG N . 7246 1 277 . 1 1 135 135 GLN H H 1 8.53 0.02 . 1 . . . . 224 GLN H . 7246 1 278 . 1 1 135 135 GLN CA C 13 55.58 0.08 . 1 . . . . 224 GLN CA . 7246 1 279 . 1 1 135 135 GLN CB C 13 28.86 0.08 . 1 . . . . 224 GLN CB . 7246 1 280 . 1 1 135 135 GLN N N 15 122.46 0.07 . 1 . . . . 224 GLN N . 7246 1 281 . 1 1 136 136 LYS H H 1 8.06 0.02 . 1 . . . . 225 LYS H . 7246 1 282 . 1 1 136 136 LYS CA C 13 57.56 0.08 . 1 . . . . 225 LYS CA . 7246 1 283 . 1 1 136 136 LYS CB C 13 32.86 0.08 . 1 . . . . 225 LYS CB . 7246 1 284 . 1 1 136 136 LYS N N 15 128.04 0.07 . 1 . . . . 225 LYS N . 7246 1 stop_ save_