################################### # 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 52420 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Neh4ex_chemical_shifts _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 '3D HNCACB' . . . 52420 1 2 '3D CBCA(CO)NH' . . . 52420 1 3 '3D C(CO)NH' . . . 52420 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 $software_1 . . 52420 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 SER CA C 13 58.32 0.1 . . . . . . . 99 SER CA . 52420 1 2 . 1 . 1 2 2 SER CB C 13 63.97 0.1 . . . . . . . 99 SER CB . 52420 1 3 . 1 . 1 3 3 ALA H H 1 8.48 0.01 . . . . . . . 100 ALA H . 52420 1 4 . 1 . 1 3 3 ALA CA C 13 52.57 0.1 . . . . . . . 100 ALA CA . 52420 1 5 . 1 . 1 3 3 ALA CB C 13 19.48 0.1 . . . . . . . 100 ALA CB . 52420 1 6 . 1 . 1 3 3 ALA N N 15 125.86 0.1 . . . . . . . 100 ALA N . 52420 1 7 . 1 . 1 4 4 ASN H H 1 8.30 0.01 . . . . . . . 101 ASN H . 52420 1 8 . 1 . 1 4 4 ASN CA C 13 53.11 0.1 . . . . . . . 101 ASN CA . 52420 1 9 . 1 . 1 4 4 ASN CB C 13 38.93 0.1 . . . . . . . 101 ASN CB . 52420 1 10 . 1 . 1 4 4 ASN N N 15 117.78 0.1 . . . . . . . 101 ASN N . 52420 1 11 . 1 . 1 5 5 TYR H H 1 8.13 0.01 . . . . . . . 102 TYR H . 52420 1 12 . 1 . 1 5 5 TYR CA C 13 57.97 0.1 . . . . . . . 102 TYR CA . 52420 1 13 . 1 . 1 5 5 TYR CB C 13 38.79 0.1 . . . . . . . 102 TYR CB . 52420 1 14 . 1 . 1 5 5 TYR N N 15 120.97 0.1 . . . . . . . 102 TYR N . 52420 1 15 . 1 . 1 6 6 SER H H 1 8.20 0.01 . . . . . . . 103 SER H . 52420 1 16 . 1 . 1 6 6 SER CA C 13 58.51 0.1 . . . . . . . 103 SER CA . 52420 1 17 . 1 . 1 6 6 SER CB C 13 63.85 0.1 . . . . . . . 103 SER CB . 52420 1 18 . 1 . 1 6 6 SER N N 15 117.01 0.1 . . . . . . . 103 SER N . 52420 1 19 . 1 . 1 7 7 GLN H H 1 8.31 0.01 . . . . . . . 104 GLN H . 52420 1 20 . 1 . 1 7 7 GLN CA C 13 56.08 0.1 . . . . . . . 104 GLN CA . 52420 1 21 . 1 . 1 7 7 GLN CB C 13 29.54 0.1 . . . . . . . 104 GLN CB . 52420 1 22 . 1 . 1 7 7 GLN N N 15 122.16 0.1 . . . . . . . 104 GLN N . 52420 1 23 . 1 . 1 8 8 VAL H H 1 8.01 0.01 . . . . . . . 105 VAL H . 52420 1 24 . 1 . 1 8 8 VAL CA C 13 62.30 0.1 . . . . . . . 105 VAL CA . 52420 1 25 . 1 . 1 8 8 VAL CB C 13 32.99 0.1 . . . . . . . 105 VAL CB . 52420 1 26 . 1 . 1 8 8 VAL N N 15 120.28 0.1 . . . . . . . 105 VAL N . 52420 1 27 . 1 . 1 9 9 ALA H H 1 8.26 0.01 . . . . . . . 106 ALA H . 52420 1 28 . 1 . 1 9 9 ALA CA C 13 52.44 0.1 . . . . . . . 106 ALA CA . 52420 1 29 . 1 . 1 9 9 ALA CB C 13 19.48 0.1 . . . . . . . 106 ALA CB . 52420 1 30 . 1 . 1 9 9 ALA N N 15 126.94 0.1 . . . . . . . 106 ALA N . 52420 1 31 . 1 . 1 10 10 HIS H H 1 8.31 0.01 . . . . . . . 107 HIS H . 52420 1 32 . 1 . 1 10 10 HIS CA C 13 55.54 0.1 . . . . . . . 107 HIS CA . 52420 1 33 . 1 . 1 10 10 HIS CB C 13 30.22 0.1 . . . . . . . 107 HIS CB . 52420 1 34 . 1 . 1 10 10 HIS N N 15 118.50 0.1 . . . . . . . 107 HIS N . 52420 1 35 . 1 . 1 11 11 ILE H H 1 8.09 0.01 . . . . . . . 108 ILE H . 52420 1 36 . 1 . 1 11 11 ILE CA C 13 58.58 0.1 . . . . . . . 108 ILE CA . 52420 1 37 . 1 . 1 11 11 ILE CB C 13 38.79 0.1 . . . . . . . 108 ILE CB . 52420 1 38 . 1 . 1 11 11 ILE N N 15 124.40 0.1 . . . . . . . 108 ILE N . 52420 1 39 . 1 . 1 12 12 PRO CA C 13 63.10 0.1 . . . . . . . 109 PRO CA . 52420 1 40 . 1 . 1 12 12 PRO CB C 13 32.13 0.1 . . . . . . . 109 PRO CB . 52420 1 41 . 1 . 1 13 13 LYS H H 1 8.41 0.01 . . . . . . . 110 LYS H . 52420 1 42 . 1 . 1 13 13 LYS CA C 13 56.56 0.1 . . . . . . . 110 LYS CA . 52420 1 43 . 1 . 1 13 13 LYS CB C 13 33.12 0.1 . . . . . . . 110 LYS CB . 52420 1 44 . 1 . 1 13 13 LYS N N 15 121.61 0.1 . . . . . . . 110 LYS N . 52420 1 45 . 1 . 1 14 14 SER H H 1 8.32 0.01 . . . . . . . 111 SER H . 52420 1 46 . 1 . 1 14 14 SER CA C 13 58.51 0.1 . . . . . . . 111 SER CA . 52420 1 47 . 1 . 1 14 14 SER CB C 13 63.85 0.1 . . . . . . . 111 SER CB . 52420 1 48 . 1 . 1 14 14 SER N N 15 116.52 0.1 . . . . . . . 111 SER N . 52420 1 49 . 1 . 1 15 15 ASP H H 1 8.32 0.01 . . . . . . . 112 ASP H . 52420 1 50 . 1 . 1 15 15 ASP CA C 13 55.95 0.1 . . . . . . . 112 ASP CA . 52420 1 51 . 1 . 1 15 15 ASP CB C 13 41.23 0.1 . . . . . . . 112 ASP CB . 52420 1 52 . 1 . 1 15 15 ASP N N 15 122.16 0.1 . . . . . . . 112 ASP N . 52420 1 53 . 1 . 1 16 16 ALA H H 1 8.06 0.01 . . . . . . . 113 ALA H . 52420 1 54 . 1 . 1 16 16 ALA CA C 13 52.91 0.1 . . . . . . . 113 ALA CA . 52420 1 55 . 1 . 1 16 16 ALA CB C 13 19.48 0.1 . . . . . . . 113 ALA CB . 52420 1 56 . 1 . 1 16 16 ALA N N 15 123.60 0.1 . . . . . . . 113 ALA N . 52420 1 57 . 1 . 1 17 17 LEU H H 1 8.07 0.01 . . . . . . . 114 LEU H . 52420 1 58 . 1 . 1 17 17 LEU CA C 13 55.41 0.1 . . . . . . . 114 LEU CA . 52420 1 59 . 1 . 1 17 17 LEU CB C 13 42.58 0.1 . . . . . . . 114 LEU CB . 52420 1 60 . 1 . 1 17 17 LEU N N 15 120.30 0.1 . . . . . . . 114 LEU N . 52420 1 61 . 1 . 1 18 18 TYR H H 1 7.93 0.01 . . . . . . . 115 TYR H . 52420 1 62 . 1 . 1 18 18 TYR CA C 13 57.77 0.1 . . . . . . . 115 TYR CA . 52420 1 63 . 1 . 1 18 18 TYR CB C 13 39.20 0.1 . . . . . . . 115 TYR CB . 52420 1 64 . 1 . 1 18 18 TYR N N 15 119.85 0.1 . . . . . . . 115 TYR N . 52420 1 65 . 1 . 1 19 19 PHE H H 1 8.02 0.01 . . . . . . . 116 PHE H . 52420 1 66 . 1 . 1 19 19 PHE CA C 13 57.64 0.1 . . . . . . . 116 PHE CA . 52420 1 67 . 1 . 1 19 19 PHE CB C 13 40.28 0.1 . . . . . . . 116 PHE CB . 52420 1 68 . 1 . 1 19 19 PHE N N 15 121.70 0.1 . . . . . . . 116 PHE N . 52420 1 69 . 1 . 1 20 20 ASP H H 1 8.19 0.01 . . . . . . . 117 ASP H . 52420 1 70 . 1 . 1 20 20 ASP CA C 13 54.47 0.1 . . . . . . . 117 ASP CA . 52420 1 71 . 1 . 1 20 20 ASP CB C 13 41.60 0.1 . . . . . . . 117 ASP CB . 52420 1 72 . 1 . 1 20 20 ASP N N 15 121.90 0.1 . . . . . . . 117 ASP N . 52420 1 73 . 1 . 1 21 21 ASP H H 1 8.28 0.01 . . . . . . . 118 ASP H . 52420 1 74 . 1 . 1 21 21 ASP CA C 13 54.80 0.1 . . . . . . . 118 ASP CA . 52420 1 75 . 1 . 1 21 21 ASP CB C 13 41.16 0.1 . . . . . . . 118 ASP CB . 52420 1 76 . 1 . 1 21 21 ASP N N 15 120.77 0.1 . . . . . . . 118 ASP N . 52420 1 77 . 1 . 1 22 22 CYS H H 1 8.35 0.01 . . . . . . . 119 CYS H . 52420 1 78 . 1 . 1 22 22 CYS CA C 13 59.80 0.1 . . . . . . . 119 CYS CA . 52420 1 79 . 1 . 1 22 22 CYS CB C 13 27.79 0.1 . . . . . . . 119 CYS CB . 52420 1 80 . 1 . 1 22 22 CYS N N 15 118.63 0.1 . . . . . . . 119 CYS N . 52420 1 81 . 1 . 1 23 23 MET H H 1 8.31 0.01 . . . . . . . 120 MET H . 52420 1 82 . 1 . 1 23 23 MET CA C 13 56.96 0.1 . . . . . . . 120 MET CA . 52420 1 83 . 1 . 1 23 23 MET CB C 13 30.22 0.1 . . . . . . . 120 MET CB . 52420 1 84 . 1 . 1 23 23 MET N N 15 120.86 0.1 . . . . . . . 120 MET N . 52420 1 85 . 1 . 1 24 24 GLN H H 1 8.23 0.01 . . . . . . . 121 GLN H . 52420 1 86 . 1 . 1 24 24 GLN CA C 13 54.32 0.1 . . . . . . . 121 GLN CA . 52420 1 87 . 1 . 1 24 24 GLN CB C 13 29.14 0.1 . . . . . . . 121 GLN CB . 52420 1 88 . 1 . 1 24 24 GLN N N 15 120.22 0.1 . . . . . . . 121 GLN N . 52420 1 89 . 1 . 1 25 25 LEU H H 1 8.09 0.01 . . . . . . . 122 LEU H . 52420 1 90 . 1 . 1 25 25 LEU CA C 13 55.62 0.1 . . . . . . . 122 LEU CA . 52420 1 91 . 1 . 1 25 25 LEU CB C 13 42.42 0.1 . . . . . . . 122 LEU CB . 52420 1 92 . 1 . 1 25 25 LEU N N 15 122.18 0.1 . . . . . . . 122 LEU N . 52420 1 93 . 1 . 1 26 26 LEU H H 1 8.08 0.01 . . . . . . . 123 LEU H . 52420 1 94 . 1 . 1 26 26 LEU CA C 13 55.62 0.1 . . . . . . . 123 LEU CA . 52420 1 95 . 1 . 1 26 26 LEU CB C 13 42.42 0.1 . . . . . . . 123 LEU CB . 52420 1 96 . 1 . 1 26 26 LEU N N 15 122.20 0.1 . . . . . . . 123 LEU N . 52420 1 97 . 1 . 1 27 27 ALA H H 1 8.10 0.01 . . . . . . . 124 ALA H . 52420 1 98 . 1 . 1 27 27 ALA CA C 13 52.77 0.1 . . . . . . . 124 ALA CA . 52420 1 99 . 1 . 1 27 27 ALA CB C 13 19.41 0.1 . . . . . . . 124 ALA CB . 52420 1 100 . 1 . 1 27 27 ALA N N 15 123.76 0.1 . . . . . . . 124 ALA N . 52420 1 101 . 1 . 1 28 28 GLN H H 1 8.15 0.01 . . . . . . . 125 GLN H . 52420 1 102 . 1 . 1 28 28 GLN CA C 13 55.88 0.1 . . . . . . . 125 GLN CA . 52420 1 103 . 1 . 1 28 28 GLN CB C 13 29.75 0.1 . . . . . . . 125 GLN CB . 52420 1 104 . 1 . 1 28 28 GLN N N 15 118.70 0.1 . . . . . . . 125 GLN N . 52420 1 105 . 1 . 1 29 29 THR H H 1 7.99 0.01 . . . . . . . 126 THR H . 52420 1 106 . 1 . 1 29 29 THR CA C 13 61.69 0.1 . . . . . . . 126 THR CA . 52420 1 107 . 1 . 1 29 29 THR CB C 13 70.06 0.1 . . . . . . . 126 THR CB . 52420 1 108 . 1 . 1 29 29 THR N N 15 114.84 0.1 . . . . . . . 126 THR N . 52420 1 109 . 1 . 1 30 30 PHE H H 1 8.24 0.01 . . . . . . . 127 PHE H . 52420 1 110 . 1 . 1 30 30 PHE CA C 13 55.48 0.1 . . . . . . . 127 PHE CA . 52420 1 111 . 1 . 1 30 30 PHE CB C 13 39.34 0.1 . . . . . . . 127 PHE CB . 52420 1 112 . 1 . 1 30 30 PHE N N 15 122.96 0.1 . . . . . . . 127 PHE N . 52420 1 113 . 1 . 1 31 31 PRO CA C 13 63.04 0.1 . . . . . . . 128 PRO CA . 52420 1 114 . 1 . 1 31 31 PRO CB C 13 31.77 0.1 . . . . . . . 128 PRO CB . 52420 1 115 . 1 . 1 32 32 PHE H H 1 8.16 0.01 . . . . . . . 129 PHE H . 52420 1 116 . 1 . 1 32 32 PHE CA C 13 57.77 0.1 . . . . . . . 129 PHE CA . 52420 1 117 . 1 . 1 32 32 PHE CB C 13 39.74 0.1 . . . . . . . 129 PHE CB . 52420 1 118 . 1 . 1 32 32 PHE N N 15 120.58 0.1 . . . . . . . 129 PHE N . 52420 1 119 . 1 . 1 33 33 VAL H H 1 8.01 0.01 . . . . . . . 130 VAL H . 52420 1 120 . 1 . 1 33 33 VAL CA C 13 61.82 0.1 . . . . . . . 130 VAL CA . 52420 1 121 . 1 . 1 33 33 VAL CB C 13 33.46 0.1 . . . . . . . 130 VAL CB . 52420 1 122 . 1 . 1 33 33 VAL N N 15 123.02 0.1 . . . . . . . 130 VAL N . 52420 1 123 . 1 . 1 34 34 ASP H H 1 8.33 0.01 . . . . . . . 131 ASP H . 52420 1 124 . 1 . 1 34 34 ASP CA C 13 54.12 0.1 . . . . . . . 131 ASP CA . 52420 1 125 . 1 . 1 34 34 ASP CB C 13 41.70 0.1 . . . . . . . 131 ASP CB . 52420 1 126 . 1 . 1 34 34 ASP N N 15 124.52 0.1 . . . . . . . 131 ASP N . 52420 1 127 . 1 . 1 35 35 ASP H H 1 8.35 0.01 . . . . . . . 132 ASP H . 52420 1 128 . 1 . 1 35 35 ASP CA C 13 54.53 0.1 . . . . . . . 132 ASP CA . 52420 1 129 . 1 . 1 35 35 ASP CB C 13 41.29 0.1 . . . . . . . 132 ASP CB . 52420 1 130 . 1 . 1 35 35 ASP N N 15 121.89 0.1 . . . . . . . 132 ASP N . 52420 1 131 . 1 . 1 36 36 ASN H H 1 8.46 0.01 . . . . . . . 133 ASN H . 52420 1 132 . 1 . 1 36 36 ASN CA C 13 53.92 0.1 . . . . . . . 133 ASN CA . 52420 1 133 . 1 . 1 36 36 ASN CB C 13 39.27 0.1 . . . . . . . 133 ASN CB . 52420 1 134 . 1 . 1 36 36 ASN N N 15 118.64 0.1 . . . . . . . 133 ASN N . 52420 1 135 . 1 . 1 37 37 GLU H H 1 8.29 0.01 . . . . . . . 134 GLU H . 52420 1 136 . 1 . 1 37 37 GLU CA C 13 56.89 0.1 . . . . . . . 134 GLU CA . 52420 1 137 . 1 . 1 37 37 GLU CB C 13 30.22 0.1 . . . . . . . 134 GLU CB . 52420 1 138 . 1 . 1 37 37 GLU N N 15 120.93 0.1 . . . . . . . 134 GLU N . 52420 1 139 . 1 . 1 38 38 VAL H H 1 8.12 0.01 . . . . . . . 135 VAL H . 52420 1 140 . 1 . 1 38 38 VAL CA C 13 62.77 0.1 . . . . . . . 135 VAL CA . 52420 1 141 . 1 . 1 38 38 VAL CB C 13 32.72 0.1 . . . . . . . 135 VAL CB . 52420 1 142 . 1 . 1 38 38 VAL N N 15 120.97 0.1 . . . . . . . 135 VAL N . 52420 1 143 . 1 . 1 39 39 SER H H 1 8.38 0.01 . . . . . . . 136 SER H . 52420 1 144 . 1 . 1 39 39 SER CA C 13 58.51 0.1 . . . . . . . 136 SER CA . 52420 1 145 . 1 . 1 39 39 SER CB C 13 63.64 0.1 . . . . . . . 136 SER CB . 52420 1 146 . 1 . 1 39 39 SER N N 15 118.99 0.1 . . . . . . . 136 SER N . 52420 1 147 . 1 . 1 40 40 SER H H 1 8.36 0.01 . . . . . . . 137 SER H . 52420 1 148 . 1 . 1 40 40 SER CA C 13 58.65 0.1 . . . . . . . 137 SER CA . 52420 1 149 . 1 . 1 40 40 SER CB C 13 63.71 0.1 . . . . . . . 137 SER CB . 52420 1 150 . 1 . 1 40 40 SER N N 15 118.15 0.1 . . . . . . . 137 SER N . 52420 1 151 . 1 . 1 41 41 ALA H H 1 8.27 0.01 . . . . . . . 138 ALA H . 52420 1 152 . 1 . 1 41 41 ALA CA C 13 53.04 0.1 . . . . . . . 138 ALA CA . 52420 1 153 . 1 . 1 41 41 ALA CB C 13 19.41 0.1 . . . . . . . 138 ALA CB . 52420 1 154 . 1 . 1 41 41 ALA N N 15 125.65 0.1 . . . . . . . 138 ALA N . 52420 1 155 . 1 . 1 42 42 THR H H 1 7.99 0.01 . . . . . . . 139 THR H . 52420 1 156 . 1 . 1 42 42 THR CA C 13 62.23 0.1 . . . . . . . 139 THR CA . 52420 1 157 . 1 . 1 42 42 THR CB C 13 69.72 0.1 . . . . . . . 139 THR CB . 52420 1 158 . 1 . 1 42 42 THR N N 15 112.61 0.1 . . . . . . . 139 THR N . 52420 1 159 . 1 . 1 43 43 PHE H H 1 8.12 0.01 . . . . . . . 140 PHE H . 52420 1 160 . 1 . 1 43 43 PHE CA C 13 58.24 0.1 . . . . . . . 140 PHE CA . 52420 1 161 . 1 . 1 43 43 PHE CB C 13 39.67 0.1 . . . . . . . 140 PHE CB . 52420 1 162 . 1 . 1 43 43 PHE N N 15 122.27 0.1 . . . . . . . 140 PHE N . 52420 1 163 . 1 . 1 44 44 GLN H H 1 8.20 0.01 . . . . . . . 141 GLN H . 52420 1 164 . 1 . 1 44 44 GLN CA C 13 56.08 0.1 . . . . . . . 141 GLN CA . 52420 1 165 . 1 . 1 44 44 GLN CB C 13 29.81 0.1 . . . . . . . 141 GLN CB . 52420 1 166 . 1 . 1 44 44 GLN N N 15 121.99 0.1 . . . . . . . 141 GLN N . 52420 1 167 . 1 . 1 45 45 SER H H 1 8.24 0.01 . . . . . . . 142 SER H . 52420 1 168 . 1 . 1 45 45 SER CA C 13 58.37 0.1 . . . . . . . 142 SER CA . 52420 1 169 . 1 . 1 45 45 SER CB C 13 63.71 0.1 . . . . . . . 142 SER CB . 52420 1 170 . 1 . 1 45 45 SER N N 15 117.04 0.1 . . . . . . . 142 SER N . 52420 1 171 . 1 . 1 46 46 LEU H H 1 8.27 0.01 . . . . . . . 143 LEU H . 52420 1 172 . 1 . 1 46 46 LEU CA C 13 55.21 0.1 . . . . . . . 143 LEU CA . 52420 1 173 . 1 . 1 46 46 LEU CB C 13 42.51 0.1 . . . . . . . 143 LEU CB . 52420 1 174 . 1 . 1 46 46 LEU N N 15 124.28 0.1 . . . . . . . 143 LEU N . 52420 1 175 . 1 . 1 47 47 VAL H H 1 8.14 0.01 . . . . . . . 144 VAL H . 52420 1 176 . 1 . 1 47 47 VAL CA C 13 59.80 0.1 . . . . . . . 144 VAL CA . 52420 1 177 . 1 . 1 47 47 VAL CB C 13 32.78 0.1 . . . . . . . 144 VAL CB . 52420 1 178 . 1 . 1 47 47 VAL N N 15 122.63 0.1 . . . . . . . 144 VAL N . 52420 1 179 . 1 . 1 48 48 PRO CA C 13 63.11 0.1 . . . . . . . 145 PRO CA . 52420 1 180 . 1 . 1 48 48 PRO CB C 13 32.31 0.1 . . . . . . . 145 PRO CB . 52420 1 181 . 1 . 1 49 49 ASP H H 1 8.35 0.01 . . . . . . . 146 ASP H . 52420 1 182 . 1 . 1 49 49 ASP CA C 13 54.40 0.1 . . . . . . . 146 ASP CA . 52420 1 183 . 1 . 1 49 49 ASP CB C 13 41.23 0.1 . . . . . . . 146 ASP CB . 52420 1 184 . 1 . 1 49 49 ASP N N 15 120.71 0.1 . . . . . . . 146 ASP N . 52420 1 185 . 1 . 1 51 51 PRO CA C 13 63.46 0.1 . . . . . . . 148 PRO CA . 52420 1 186 . 1 . 1 51 51 PRO CB C 13 32.06 0.1 . . . . . . . 148 PRO CB . 52420 1 187 . 1 . 1 52 52 GLY H H 1 8.49 0.01 . . . . . . . 149 GLY H . 52420 1 188 . 1 . 1 52 52 GLY CA C 13 45.28 0.1 . . . . . . . 149 GLY CA . 52420 1 189 . 1 . 1 52 52 GLY N N 15 109.22 0.1 . . . . . . . 149 GLY N . 52420 1 190 . 1 . 1 53 53 HIS H H 1 8.24 0.01 . . . . . . . 150 HIS H . 52420 1 191 . 1 . 1 53 53 HIS CA C 13 55.81 0.1 . . . . . . . 150 HIS CA . 52420 1 192 . 1 . 1 53 53 HIS CB C 13 29.81 0.1 . . . . . . . 150 HIS CB . 52420 1 193 . 1 . 1 53 53 HIS N N 15 118.74 0.1 . . . . . . . 150 HIS N . 52420 1 194 . 1 . 1 54 54 ILE H H 1 8.17 0.01 . . . . . . . 151 ILE H . 52420 1 195 . 1 . 1 54 54 ILE CA C 13 60.88 0.1 . . . . . . . 151 ILE CA . 52420 1 196 . 1 . 1 54 54 ILE CB C 13 39.13 0.1 . . . . . . . 151 ILE CB . 52420 1 197 . 1 . 1 54 54 ILE N N 15 123.52 0.1 . . . . . . . 151 ILE N . 52420 1 198 . 1 . 1 55 55 GLU H H 1 8.56 0.01 . . . . . . . 152 GLU H . 52420 1 199 . 1 . 1 55 55 GLU CA C 13 56.29 0.1 . . . . . . . 152 GLU CA . 52420 1 200 . 1 . 1 55 55 GLU CB C 13 30.56 0.1 . . . . . . . 152 GLU CB . 52420 1 201 . 1 . 1 55 55 GLU N N 15 125.69 0.1 . . . . . . . 152 GLU N . 52420 1 202 . 1 . 1 56 56 SER H H 1 8.40 0.01 . . . . . . . 153 SER H . 52420 1 203 . 1 . 1 56 56 SER CA C 13 58.45 0.1 . . . . . . . 153 SER CA . 52420 1 204 . 1 . 1 56 56 SER CB C 13 63.58 0.1 . . . . . . . 153 SER CB . 52420 1 205 . 1 . 1 56 56 SER N N 15 118.89 0.1 . . . . . . . 153 SER N . 52420 1 206 . 1 . 1 57 57 PRO CA C 13 63.03 0.1 . . . . . . . 154 PRO CA . 52420 1 207 . 1 . 1 57 57 PRO CB C 13 32.06 0.1 . . . . . . . 154 PRO CB . 52420 1 208 . 1 . 1 58 58 VAL H H 1 8.11 0.01 . . . . . . . 155 VAL H . 52420 1 209 . 1 . 1 58 58 VAL CA C 13 62.36 0.1 . . . . . . . 155 VAL CA . 52420 1 210 . 1 . 1 58 58 VAL CB C 13 32.92 0.1 . . . . . . . 155 VAL CB . 52420 1 211 . 1 . 1 58 58 VAL N N 15 120.04 0.1 . . . . . . . 155 VAL N . 52420 1 212 . 1 . 1 59 59 PHE H H 1 8.33 0.01 . . . . . . . 156 PHE H . 52420 1 213 . 1 . 1 59 59 PHE CA C 13 57.91 0.1 . . . . . . . 156 PHE CA . 52420 1 214 . 1 . 1 59 59 PHE CB C 13 40.01 0.1 . . . . . . . 156 PHE CB . 52420 1 215 . 1 . 1 59 59 PHE N N 15 124.85 0.1 . . . . . . . 156 PHE N . 52420 1 216 . 1 . 1 60 60 ILE H H 1 8.00 0.01 . . . . . . . 157 ILE H . 52420 1 217 . 1 . 1 60 60 ILE CA C 13 60.47 0.1 . . . . . . . 157 ILE CA . 52420 1 218 . 1 . 1 60 60 ILE CB C 13 39.33 0.1 . . . . . . . 157 ILE CB . 52420 1 219 . 1 . 1 60 60 ILE N N 15 125.12 0.1 . . . . . . . 157 ILE N . 52420 1 220 . 1 . 1 61 61 ALA H H 1 8.33 0.01 . . . . . . . 158 ALA H . 52420 1 221 . 1 . 1 61 61 ALA CA C 13 52.50 0.1 . . . . . . . 158 ALA CA . 52420 1 222 . 1 . 1 61 61 ALA CB C 13 19.75 0.1 . . . . . . . 158 ALA CB . 52420 1 223 . 1 . 1 61 61 ALA N N 15 129.00 0.1 . . . . . . . 158 ALA N . 52420 1 224 . 1 . 1 62 62 THR H H 1 8.18 0.01 . . . . . . . 159 THR H . 52420 1 225 . 1 . 1 62 62 THR CA C 13 61.55 0.1 . . . . . . . 159 THR CA . 52420 1 226 . 1 . 1 62 62 THR CB C 13 69.63 0.1 . . . . . . . 159 THR CB . 52420 1 227 . 1 . 1 62 62 THR N N 15 113.69 0.1 . . . . . . . 159 THR N . 52420 1 228 . 1 . 1 63 63 ASN H H 1 8.06 0.01 . . . . . . . 160 ASN H . 52420 1 229 . 1 . 1 63 63 ASN CA C 13 54.80 0.1 . . . . . . . 160 ASN CA . 52420 1 230 . 1 . 1 63 63 ASN CB C 13 40.48 0.1 . . . . . . . 160 ASN CB . 52420 1 231 . 1 . 1 63 63 ASN N N 15 126.12 0.1 . . . . . . . 160 ASN N . 52420 1 stop_ save_