################################### # 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 51535 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name A _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-13C HSQC' . . . 51535 1 2 '3D HNCACB' . . . 51535 1 3 '3D HN(CO)CACB' . . . 51535 1 4 '3D HNCO' . . . 51535 1 5 '3D HN(CA)CO' . . . 51535 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 . . 51535 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 15 15 THR H H 1 8.39 0.03 . 1 . . . . . 15 THR H . 51535 1 2 . 1 . 1 15 15 THR CA C 13 61.84 0.20 . 1 . . . . . 15 THR CA . 51535 1 3 . 1 . 1 15 15 THR CB C 13 69.85 0.20 . 1 . . . . . 15 THR CB . 51535 1 4 . 1 . 1 15 15 THR N N 15 114.92 0.20 . 1 . . . . . 15 THR N . 51535 1 5 . 1 . 1 16 16 THR H H 1 8.16 0.03 . 1 . . . . . 16 THR H . 51535 1 6 . 1 . 1 16 16 THR CA C 13 62.08 0.20 . 1 . . . . . 16 THR CA . 51535 1 7 . 1 . 1 16 16 THR CB C 13 65.89 0.20 . 1 . . . . . 16 THR CB . 51535 1 8 . 1 . 1 16 16 THR N N 15 115.51 0.20 . 1 . . . . . 16 THR N . 51535 1 9 . 1 . 1 17 17 GLU H H 1 8.43 0.03 . 1 . . . . . 17 GLU H . 51535 1 10 . 1 . 1 17 17 GLU CA C 13 55.22 0.20 . 1 . . . . . 17 GLU CA . 51535 1 11 . 1 . 1 17 17 GLU N N 15 122.84 0.20 . 1 . . . . . 17 GLU N . 51535 1 12 . 1 . 1 18 18 ASN H H 1 8.57 0.03 . 1 . . . . . 18 ASN H . 51535 1 13 . 1 . 1 18 18 ASN CA C 13 53.04 0.20 . 1 . . . . . 18 ASN CA . 51535 1 14 . 1 . 1 18 18 ASN CB C 13 38.64 0.20 . 1 . . . . . 18 ASN CB . 51535 1 15 . 1 . 1 18 18 ASN N N 15 119.94 0.20 . 1 . . . . . 18 ASN N . 51535 1 16 . 1 . 1 20 20 TYR H H 1 8.03 0.03 . 1 . . . . . 20 TYR H . 51535 1 17 . 1 . 1 20 20 TYR CA C 13 58.82 0.20 . 1 . . . . . 20 TYR CA . 51535 1 18 . 1 . 1 20 20 TYR CB C 13 38.58 0.20 . 1 . . . . . 20 TYR CB . 51535 1 19 . 1 . 1 20 20 TYR N N 15 122.52 0.20 . 1 . . . . . 20 TYR N . 51535 1 20 . 1 . 1 22 22 GLN H H 1 8.36 0.03 . 1 . . . . . 22 GLN H . 51535 1 21 . 1 . 1 22 22 GLN CB C 13 29.70 0.20 . 1 . . . . . 22 GLN CB . 51535 1 22 . 1 . 1 22 22 GLN N N 15 122.89 0.20 . 1 . . . . . 22 GLN N . 51535 1 23 . 1 . 1 23 23 GLY H H 1 8.03 0.03 . 1 . . . . . 23 GLY H . 51535 1 24 . 1 . 1 23 23 GLY CA C 13 44.96 0.20 . 1 . . . . . 23 GLY CA . 51535 1 25 . 1 . 1 23 23 GLY N N 15 110.61 0.20 . 1 . . . . . 23 GLY N . 51535 1 26 . 1 . 1 24 24 GLU H H 1 8.61 0.03 . 1 . . . . . 24 GLU H . 51535 1 27 . 1 . 1 24 24 GLU CA C 13 57.17 0.20 . 1 . . . . . 24 GLU CA . 51535 1 28 . 1 . 1 24 24 GLU CB C 13 30.04 0.20 . 1 . . . . . 24 GLU CB . 51535 1 29 . 1 . 1 24 24 GLU N N 15 121.01 0.20 . 1 . . . . . 24 GLU N . 51535 1 30 . 1 . 1 29 29 VAL H H 1 8.29 0.03 . 1 . . . . . 29 VAL H . 51535 1 31 . 1 . 1 29 29 VAL N N 15 119.94 0.20 . 1 . . . . . 29 VAL N . 51535 1 32 . 1 . 1 30 30 THR H H 1 8.30 0.03 . 1 . . . . . 30 THR H . 51535 1 33 . 1 . 1 30 30 THR CA C 13 61.96 0.20 . 1 . . . . . 30 THR CA . 51535 1 34 . 1 . 1 30 30 THR CB C 13 69.87 0.20 . 1 . . . . . 30 THR CB . 51535 1 35 . 1 . 1 30 30 THR N N 15 117.90 0.20 . 1 . . . . . 30 THR N . 51535 1 36 . 1 . 1 31 31 GLY H H 1 8.54 0.03 . 1 . . . . . 31 GLY H . 51535 1 37 . 1 . 1 31 31 GLY CA C 13 45.28 0.20 . 1 . . . . . 31 GLY CA . 51535 1 38 . 1 . 1 31 31 GLY N N 15 111.55 0.20 . 1 . . . . . 31 GLY N . 51535 1 39 . 1 . 1 32 32 ARG H H 1 8.22 0.03 . 1 . . . . . 32 ARG H . 51535 1 40 . 1 . 1 32 32 ARG CA C 13 55.97 0.20 . 1 . . . . . 32 ARG CA . 51535 1 41 . 1 . 1 32 32 ARG CB C 13 30.33 0.20 . 1 . . . . . 32 ARG CB . 51535 1 42 . 1 . 1 32 32 ARG N N 15 119.12 0.20 . 1 . . . . . 32 ARG N . 51535 1 43 . 1 . 1 35 35 GLN H H 1 8.42 0.03 . 1 . . . . . 35 GLN H . 51535 1 44 . 1 . 1 35 35 GLN CA C 13 56.37 0.20 . 1 . . . . . 35 GLN CA . 51535 1 45 . 1 . 1 35 35 GLN CB C 13 29.16 0.20 . 1 . . . . . 35 GLN CB . 51535 1 46 . 1 . 1 35 35 GLN N N 15 123.17 0.20 . 1 . . . . . 35 GLN N . 51535 1 47 . 1 . 1 36 36 GLY H H 1 8.38 0.03 . 1 . . . . . 36 GLY H . 51535 1 48 . 1 . 1 36 36 GLY CA C 13 45.24 0.20 . 1 . . . . . 36 GLY CA . 51535 1 49 . 1 . 1 36 36 GLY N N 15 109.68 0.20 . 1 . . . . . 36 GLY N . 51535 1 50 . 1 . 1 37 37 PHE H H 1 8.05 0.03 . 1 . . . . . 37 PHE H . 51535 1 51 . 1 . 1 37 37 PHE CA C 13 57.83 0.20 . 1 . . . . . 37 PHE CA . 51535 1 52 . 1 . 1 37 37 PHE CB C 13 39.63 0.20 . 1 . . . . . 37 PHE CB . 51535 1 53 . 1 . 1 37 37 PHE N N 15 119.97 0.20 . 1 . . . . . 37 PHE N . 51535 1 54 . 1 . 1 38 38 MET H H 1 8.30 0.03 . 1 . . . . . 38 MET H . 51535 1 55 . 1 . 1 38 38 MET CA C 13 55.20 0.20 . 1 . . . . . 38 MET CA . 51535 1 56 . 1 . 1 38 38 MET CB C 13 32.80 0.20 . 1 . . . . . 38 MET CB . 51535 1 57 . 1 . 1 38 38 MET N N 15 122.29 0.20 . 1 . . . . . 38 MET N . 51535 1 58 . 1 . 1 39 39 VAL H H 1 8.12 0.03 . 1 . . . . . 39 VAL H . 51535 1 59 . 1 . 1 39 39 VAL CA C 13 62.64 0.20 . 1 . . . . . 39 VAL CA . 51535 1 60 . 1 . 1 39 39 VAL N N 15 121.83 0.20 . 1 . . . . . 39 VAL N . 51535 1 61 . 1 . 1 40 40 GLY H H 1 8.51 0.03 . 1 . . . . . 40 GLY H . 51535 1 62 . 1 . 1 40 40 GLY CA C 13 44.99 0.20 . 1 . . . . . 40 GLY CA . 51535 1 63 . 1 . 1 40 40 GLY N N 15 111.37 0.20 . 1 . . . . . 40 GLY N . 51535 1 64 . 1 . 1 41 41 ARG H H 1 8.12 0.03 . 1 . . . . . 41 ARG H . 51535 1 65 . 1 . 1 41 41 ARG N N 15 121.36 0.20 . 1 . . . . . 41 ARG N . 51535 1 66 . 1 . 1 44 44 PHE H H 1 8.30 0.03 . 1 . . . . . 44 PHE H . 51535 1 67 . 1 . 1 44 44 PHE CA C 13 57.91 0.20 . 1 . . . . . 44 PHE CA . 51535 1 68 . 1 . 1 44 44 PHE CB C 13 39.56 0.20 . 1 . . . . . 44 PHE CB . 51535 1 69 . 1 . 1 44 44 PHE N N 15 121.99 0.20 . 1 . . . . . 44 PHE N . 51535 1 70 . 1 . 1 45 45 GLY H H 1 8.37 0.03 . 1 . . . . . 45 GLY H . 51535 1 71 . 1 . 1 45 45 GLY CA C 13 45.15 0.20 . 1 . . . . . 45 GLY CA . 51535 1 72 . 1 . 1 45 45 GLY N N 15 110.63 0.20 . 1 . . . . . 45 GLY N . 51535 1 73 . 1 . 1 46 46 LYS H H 1 8.14 0.03 . 1 . . . . . 46 LYS H . 51535 1 74 . 1 . 1 46 46 LYS CB C 13 33.21 0.20 . 1 . . . . . 46 LYS CB . 51535 1 75 . 1 . 1 46 46 LYS N N 15 120.55 0.20 . 1 . . . . . 46 LYS N . 51535 1 76 . 1 . 1 52 52 THR H H 1 8.30 0.03 . 1 . . . . . 52 THR H . 51535 1 77 . 1 . 1 52 52 THR CA C 13 62.20 0.20 . 1 . . . . . 52 THR CA . 51535 1 78 . 1 . 1 52 52 THR CB C 13 69.65 0.20 . 1 . . . . . 52 THR CB . 51535 1 79 . 1 . 1 52 52 THR N N 15 116.63 0.20 . 1 . . . . . 52 THR N . 51535 1 80 . 1 . 1 53 53 ALA H H 1 8.30 0.03 . 1 . . . . . 53 ALA H . 51535 1 81 . 1 . 1 53 53 ALA CA C 13 52.79 0.20 . 1 . . . . . 53 ALA CA . 51535 1 82 . 1 . 1 53 53 ALA CB C 13 19.08 0.20 . 1 . . . . . 53 ALA CB . 51535 1 83 . 1 . 1 53 53 ALA N N 15 125.94 0.20 . 1 . . . . . 53 ALA N . 51535 1 84 . 1 . 1 54 54 ASN H H 1 8.36 0.03 . 1 . . . . . 54 ASN H . 51535 1 85 . 1 . 1 54 54 ASN CA C 13 53.00 0.20 . 1 . . . . . 54 ASN CA . 51535 1 86 . 1 . 1 54 54 ASN CB C 13 38.79 0.20 . 1 . . . . . 54 ASN CB . 51535 1 87 . 1 . 1 54 54 ASN N N 15 117.83 0.20 . 1 . . . . . 54 ASN N . 51535 1 88 . 1 . 1 55 55 ALA H H 1 8.22 0.03 . 1 . . . . . 55 ALA H . 51535 1 89 . 1 . 1 55 55 ALA CA C 13 52.48 0.20 . 1 . . . . . 55 ALA CA . 51535 1 90 . 1 . 1 55 55 ALA CB C 13 19.26 0.20 . 1 . . . . . 55 ALA CB . 51535 1 91 . 1 . 1 55 55 ALA N N 15 124.25 0.20 . 1 . . . . . 55 ALA N . 51535 1 92 . 1 . 1 56 56 ASN H H 1 8.46 0.03 . 1 . . . . . 56 ASN H . 51535 1 93 . 1 . 1 56 56 ASN CA C 13 51.27 0.20 . 1 . . . . . 56 ASN CA . 51535 1 94 . 1 . 1 56 56 ASN CB C 13 38.77 0.20 . 1 . . . . . 56 ASN CB . 51535 1 95 . 1 . 1 56 56 ASN N N 15 118.75 0.20 . 1 . . . . . 56 ASN N . 51535 1 96 . 1 . 1 64 64 ALA H H 1 8.45 0.03 . 1 . . . . . 64 ALA H . 51535 1 97 . 1 . 1 64 64 ALA CA C 13 52.60 0.20 . 1 . . . . . 64 ALA CA . 51535 1 98 . 1 . 1 64 64 ALA CB C 13 19.16 0.20 . 1 . . . . . 64 ALA CB . 51535 1 99 . 1 . 1 64 64 ALA N N 15 125.86 0.20 . 1 . . . . . 64 ALA N . 51535 1 100 . 1 . 1 65 65 THR H H 1 8.27 0.03 . 1 . . . . . 65 THR H . 51535 1 101 . 1 . 1 65 65 THR CA C 13 61.93 0.20 . 1 . . . . . 65 THR CA . 51535 1 102 . 1 . 1 65 65 THR CB C 13 69.94 0.20 . 1 . . . . . 65 THR CB . 51535 1 103 . 1 . 1 65 65 THR N N 15 113.09 0.20 . 1 . . . . . 65 THR N . 51535 1 104 . 1 . 1 66 66 GLY H H 1 8.52 0.03 . 1 . . . . . 66 GLY H . 51535 1 105 . 1 . 1 66 66 GLY CA C 13 45.41 0.20 . 1 . . . . . 66 GLY CA . 51535 1 106 . 1 . 1 66 66 GLY N N 15 111.29 0.20 . 1 . . . . . 66 GLY N . 51535 1 107 . 1 . 1 67 67 GLY H H 1 8.35 0.03 . 1 . . . . . 67 GLY H . 51535 1 108 . 1 . 1 67 67 GLY CA C 13 45.10 0.20 . 1 . . . . . 67 GLY CA . 51535 1 109 . 1 . 1 67 67 GLY N N 15 109.00 0.20 . 1 . . . . . 67 GLY N . 51535 1 110 . 1 . 1 69 69 LEU H H 1 8.43 0.03 . 1 . . . . . 69 LEU H . 51535 1 111 . 1 . 1 69 69 LEU CA C 13 55.22 0.20 . 1 . . . . . 69 LEU CA . 51535 1 112 . 1 . 1 69 69 LEU CB C 13 42.19 0.20 . 1 . . . . . 69 LEU CB . 51535 1 113 . 1 . 1 69 69 LEU N N 15 123.01 0.20 . 1 . . . . . 69 LEU N . 51535 1 114 . 1 . 1 70 70 SER H H 1 8.39 0.03 . 1 . . . . . 70 SER H . 51535 1 115 . 1 . 1 70 70 SER CA C 13 58.16 0.20 . 1 . . . . . 70 SER CA . 51535 1 116 . 1 . 1 70 70 SER CB C 13 64.00 0.20 . 1 . . . . . 70 SER CB . 51535 1 117 . 1 . 1 70 70 SER N N 15 116.51 0.20 . 1 . . . . . 70 SER N . 51535 1 118 . 1 . 1 71 71 ASP H H 1 8.41 0.03 . 1 . . . . . 71 ASP H . 51535 1 119 . 1 . 1 71 71 ASP CA C 13 54.74 0.20 . 1 . . . . . 71 ASP CA . 51535 1 120 . 1 . 1 71 71 ASP CB C 13 40.91 0.20 . 1 . . . . . 71 ASP CB . 51535 1 121 . 1 . 1 71 71 ASP N N 15 122.43 0.20 . 1 . . . . . 71 ASP N . 51535 1 122 . 1 . 1 72 72 ASN H H 1 8.33 0.03 . 1 . . . . . 72 ASN H . 51535 1 123 . 1 . 1 72 72 ASN CA C 13 53.55 0.20 . 1 . . . . . 72 ASN CA . 51535 1 124 . 1 . 1 72 72 ASN CB C 13 38.95 0.20 . 1 . . . . . 72 ASN CB . 51535 1 125 . 1 . 1 72 72 ASN N N 15 118.55 0.20 . 1 . . . . . 72 ASN N . 51535 1 126 . 1 . 1 75 75 ALA H H 1 8.20 0.03 . 1 . . . . . 75 ALA H . 51535 1 127 . 1 . 1 75 75 ALA CA C 13 52.78 0.20 . 1 . . . . . 75 ALA CA . 51535 1 128 . 1 . 1 75 75 ALA CB C 13 18.99 0.20 . 1 . . . . . 75 ALA CB . 51535 1 129 . 1 . 1 75 75 ALA N N 15 125.03 0.20 . 1 . . . . . 75 ALA N . 51535 1 130 . 1 . 1 76 76 GLY H H 1 8.48 0.03 . 1 . . . . . 76 GLY H . 51535 1 131 . 1 . 1 76 76 GLY N N 15 108.26 0.20 . 1 . . . . . 76 GLY N . 51535 1 132 . 1 . 1 77 77 VAL H H 1 8.53 0.03 . 1 . . . . . 77 VAL H . 51535 1 133 . 1 . 1 77 77 VAL N N 15 120.65 0.20 . 1 . . . . . 77 VAL N . 51535 1 134 . 1 . 1 78 78 SER H H 1 8.47 0.03 . 1 . . . . . 78 SER H . 51535 1 135 . 1 . 1 78 78 SER N N 15 118.19 0.20 . 1 . . . . . 78 SER N . 51535 1 136 . 1 . 1 79 79 SER H H 1 8.38 0.03 . 1 . . . . . 79 SER H . 51535 1 137 . 1 . 1 79 79 SER N N 15 115.93 0.20 . 1 . . . . . 79 SER N . 51535 1 138 . 1 . 1 82 82 THR H H 1 8.23 0.03 . 1 . . . . . 82 THR H . 51535 1 139 . 1 . 1 82 82 THR CA C 13 61.90 0.20 . 1 . . . . . 82 THR CA . 51535 1 140 . 1 . 1 82 82 THR CB C 13 69.60 0.20 . 1 . . . . . 82 THR CB . 51535 1 141 . 1 . 1 82 82 THR N N 15 115.73 0.20 . 1 . . . . . 82 THR N . 51535 1 142 . 1 . 1 83 83 ILE H H 1 8.21 0.03 . 1 . . . . . 83 ILE H . 51535 1 143 . 1 . 1 83 83 ILE CA C 13 61.18 0.20 . 1 . . . . . 83 ILE CA . 51535 1 144 . 1 . 1 83 83 ILE CB C 13 38.63 0.20 . 1 . . . . . 83 ILE CB . 51535 1 145 . 1 . 1 83 83 ILE N N 15 123.70 0.20 . 1 . . . . . 83 ILE N . 51535 1 146 . 1 . 1 84 84 THR H H 1 8.31 0.03 . 1 . . . . . 84 THR H . 51535 1 147 . 1 . 1 84 84 THR CA C 13 62.01 0.20 . 1 . . . . . 84 THR CA . 51535 1 148 . 1 . 1 84 84 THR CB C 13 69.69 0.20 . 1 . . . . . 84 THR CB . 51535 1 149 . 1 . 1 84 84 THR N N 15 119.75 0.20 . 1 . . . . . 84 THR N . 51535 1 150 . 1 . 1 85 85 ARG H H 1 8.38 0.03 . 1 . . . . . 85 ARG H . 51535 1 151 . 1 . 1 85 85 ARG CA C 13 55.80 0.20 . 1 . . . . . 85 ARG CA . 51535 1 152 . 1 . 1 85 85 ARG CB C 13 30.94 0.20 . 1 . . . . . 85 ARG CB . 51535 1 153 . 1 . 1 85 85 ARG N N 15 124.46 0.20 . 1 . . . . . 85 ARG N . 51535 1 154 . 1 . 1 86 86 ALA H H 1 8.36 0.03 . 1 . . . . . 86 ALA H . 51535 1 155 . 1 . 1 86 86 ALA CA C 13 52.32 0.20 . 1 . . . . . 86 ALA CA . 51535 1 156 . 1 . 1 86 86 ALA CB C 13 19.18 0.20 . 1 . . . . . 86 ALA CB . 51535 1 157 . 1 . 1 86 86 ALA N N 15 125.97 0.20 . 1 . . . . . 86 ALA N . 51535 1 158 . 1 . 1 87 87 ILE H H 1 8.21 0.03 . 1 . . . . . 87 ILE H . 51535 1 159 . 1 . 1 87 87 ILE CA C 13 61.30 0.20 . 1 . . . . . 87 ILE CA . 51535 1 160 . 1 . 1 87 87 ILE CB C 13 38.50 0.20 . 1 . . . . . 87 ILE CB . 51535 1 161 . 1 . 1 87 87 ILE N N 15 122.73 0.20 . 1 . . . . . 87 ILE N . 51535 1 162 . 1 . 1 88 88 LEU H H 1 8.35 0.03 . 1 . . . . . 88 LEU H . 51535 1 163 . 1 . 1 88 88 LEU CA C 13 55.09 0.20 . 1 . . . . . 88 LEU CA . 51535 1 164 . 1 . 1 88 88 LEU CB C 13 42.18 0.20 . 1 . . . . . 88 LEU CB . 51535 1 165 . 1 . 1 88 88 LEU N N 15 126.74 0.20 . 1 . . . . . 88 LEU N . 51535 1 166 . 1 . 1 95 95 GLY H H 1 7.89 0.03 . 1 . . . . . 95 GLY H . 51535 1 167 . 1 . 1 95 95 GLY CA C 13 45.33 0.20 . 1 . . . . . 95 GLY CA . 51535 1 168 . 1 . 1 95 95 GLY N N 15 107.49 0.20 . 1 . . . . . 95 GLY N . 51535 1 169 . 1 . 1 96 96 LEU H H 1 8.14 0.03 . 1 . . . . . 96 LEU H . 51535 1 170 . 1 . 1 96 96 LEU CA C 13 55.28 0.20 . 1 . . . . . 96 LEU CA . 51535 1 171 . 1 . 1 96 96 LEU CB C 13 42.41 0.20 . 1 . . . . . 96 LEU CB . 51535 1 172 . 1 . 1 96 96 LEU N N 15 121.63 0.20 . 1 . . . . . 96 LEU N . 51535 1 173 . 1 . 1 97 97 SER H H 1 8.39 0.03 . 1 . . . . . 97 SER H . 51535 1 174 . 1 . 1 97 97 SER CA C 13 58.44 0.20 . 1 . . . . . 97 SER CA . 51535 1 175 . 1 . 1 97 97 SER CB C 13 63.70 0.20 . 1 . . . . . 97 SER CB . 51535 1 176 . 1 . 1 97 97 SER N N 15 116.23 0.20 . 1 . . . . . 97 SER N . 51535 1 177 . 1 . 1 98 98 ASN H H 1 8.51 0.03 . 1 . . . . . 98 ASN H . 51535 1 178 . 1 . 1 98 98 ASN CA C 13 53.36 0.20 . 1 . . . . . 98 ASN CA . 51535 1 179 . 1 . 1 98 98 ASN CB C 13 38.72 0.20 . 1 . . . . . 98 ASN CB . 51535 1 180 . 1 . 1 98 98 ASN N N 15 120.93 0.20 . 1 . . . . . 98 ASN N . 51535 1 181 . 1 . 1 99 99 THR H H 1 8.19 0.03 . 1 . . . . . 99 THR H . 51535 1 182 . 1 . 1 99 99 THR CA C 13 62.18 0.20 . 1 . . . . . 99 THR CA . 51535 1 183 . 1 . 1 99 99 THR CB C 13 69.61 0.20 . 1 . . . . . 99 THR CB . 51535 1 184 . 1 . 1 99 99 THR N N 15 114.20 0.20 . 1 . . . . . 99 THR N . 51535 1 185 . 1 . 1 100 100 LEU H H 1 8.27 0.03 . 1 . . . . . 100 LEU H . 51535 1 186 . 1 . 1 100 100 LEU CA C 13 55.49 0.20 . 1 . . . . . 100 LEU CA . 51535 1 187 . 1 . 1 100 100 LEU CB C 13 42.14 0.20 . 1 . . . . . 100 LEU CB . 51535 1 188 . 1 . 1 100 100 LEU N N 15 123.88 0.20 . 1 . . . . . 100 LEU N . 51535 1 189 . 1 . 1 101 101 GLY H H 1 8.38 0.03 . 1 . . . . . 101 GLY H . 51535 1 190 . 1 . 1 101 101 GLY CA C 13 45.44 0.20 . 1 . . . . . 101 GLY CA . 51535 1 191 . 1 . 1 101 101 GLY N N 15 109.31 0.20 . 1 . . . . . 101 GLY N . 51535 1 192 . 1 . 1 102 102 ASN H H 1 8.33 0.03 . 1 . . . . . 102 ASN H . 51535 1 193 . 1 . 1 102 102 ASN N N 15 118.69 0.20 . 1 . . . . . 102 ASN N . 51535 1 194 . 1 . 1 104 104 SER H H 1 8.13 0.03 . 1 . . . . . 104 SER H . 51535 1 195 . 1 . 1 104 104 SER N N 15 120.29 0.20 . 1 . . . . . 104 SER N . 51535 1 196 . 1 . 1 105 105 ALA H H 1 8.35 0.03 . 1 . . . . . 105 ALA H . 51535 1 197 . 1 . 1 105 105 ALA CA C 13 52.84 0.20 . 1 . . . . . 105 ALA CA . 51535 1 198 . 1 . 1 105 105 ALA CB C 13 19.03 0.20 . 1 . . . . . 105 ALA CB . 51535 1 199 . 1 . 1 105 105 ALA N N 15 125.54 0.20 . 1 . . . . . 105 ALA N . 51535 1 200 . 1 . 1 106 106 GLY H H 1 8.29 0.03 . 1 . . . . . 106 GLY H . 51535 1 201 . 1 . 1 106 106 GLY CA C 13 45.29 0.20 . 1 . . . . . 106 GLY CA . 51535 1 202 . 1 . 1 106 106 GLY N N 15 107.67 0.20 . 1 . . . . . 106 GLY N . 51535 1 203 . 1 . 1 107 107 LEU H H 1 8.16 0.03 . 1 . . . . . 107 LEU H . 51535 1 204 . 1 . 1 107 107 LEU CA C 13 55.31 0.20 . 1 . . . . . 107 LEU CA . 51535 1 205 . 1 . 1 107 107 LEU CB C 13 42.33 0.20 . 1 . . . . . 107 LEU CB . 51535 1 206 . 1 . 1 107 107 LEU N N 15 121.47 0.20 . 1 . . . . . 107 LEU N . 51535 1 207 . 1 . 1 108 108 GLY H H 1 8.51 0.03 . 1 . . . . . 108 GLY H . 51535 1 208 . 1 . 1 108 108 GLY CA C 13 45.22 0.20 . 1 . . . . . 108 GLY CA . 51535 1 209 . 1 . 1 108 108 GLY N N 15 109.72 0.20 . 1 . . . . . 108 GLY N . 51535 1 210 . 1 . 1 109 109 ALA H H 1 8.28 0.03 . 1 . . . . . 109 ALA H . 51535 1 211 . 1 . 1 109 109 ALA CA C 13 52.81 0.20 . 1 . . . . . 109 ALA CA . 51535 1 212 . 1 . 1 109 109 ALA CB C 13 19.11 0.20 . 1 . . . . . 109 ALA CB . 51535 1 213 . 1 . 1 109 109 ALA N N 15 123.95 0.20 . 1 . . . . . 109 ALA N . 51535 1 214 . 1 . 1 110 110 GLY H H 1 8.48 0.03 . 1 . . . . . 110 GLY H . 51535 1 215 . 1 . 1 110 110 GLY CA C 13 45.24 0.20 . 1 . . . . . 110 GLY CA . 51535 1 216 . 1 . 1 110 110 GLY N N 15 108.26 0.20 . 1 . . . . . 110 GLY N . 51535 1 217 . 1 . 1 111 111 ALA H H 1 8.12 0.03 . 1 . . . . . 111 ALA H . 51535 1 218 . 1 . 1 111 111 ALA CA C 13 52.62 0.20 . 1 . . . . . 111 ALA CA . 51535 1 219 . 1 . 1 111 111 ALA CB C 13 19.20 0.20 . 1 . . . . . 111 ALA CB . 51535 1 220 . 1 . 1 111 111 ALA N N 15 123.82 0.20 . 1 . . . . . 111 ALA N . 51535 1 221 . 1 . 1 112 112 ALA H H 1 8.30 0.03 . 1 . . . . . 112 ALA H . 51535 1 222 . 1 . 1 112 112 ALA CA C 13 35.77 0.20 . 1 . . . . . 112 ALA CA . 51535 1 223 . 1 . 1 112 112 ALA N N 15 123.13 0.20 . 1 . . . . . 112 ALA N . 51535 1 224 . 1 . 1 113 113 ALA H H 1 8.22 0.03 . 1 . . . . . 113 ALA H . 51535 1 225 . 1 . 1 113 113 ALA CA C 13 52.65 0.20 . 1 . . . . . 113 ALA CA . 51535 1 226 . 1 . 1 113 113 ALA CB C 13 18.50 0.20 . 1 . . . . . 113 ALA CB . 51535 1 227 . 1 . 1 113 113 ALA N N 15 123.07 0.20 . 1 . . . . . 113 ALA N . 51535 1 228 . 1 . 1 114 114 GLY H H 1 8.32 0.03 . 1 . . . . . 114 GLY H . 51535 1 229 . 1 . 1 114 114 GLY CA C 13 45.20 0.20 . 1 . . . . . 114 GLY CA . 51535 1 230 . 1 . 1 114 114 GLY N N 15 107.84 0.20 . 1 . . . . . 114 GLY N . 51535 1 231 . 1 . 1 117 117 SER H H 1 8.46 0.03 . 1 . . . . . 117 SER H . 51535 1 232 . 1 . 1 117 117 SER CA C 13 58.59 0.20 . 1 . . . . . 117 SER CA . 51535 1 233 . 1 . 1 117 117 SER CB C 13 63.84 0.20 . 1 . . . . . 117 SER CB . 51535 1 234 . 1 . 1 117 117 SER N N 15 115.54 0.20 . 1 . . . . . 117 SER N . 51535 1 235 . 1 . 1 118 118 GLY H H 1 8.48 0.03 . 1 . . . . . 118 GLY H . 51535 1 236 . 1 . 1 118 118 GLY CA C 13 45.38 0.20 . 1 . . . . . 118 GLY CA . 51535 1 237 . 1 . 1 118 118 GLY N N 15 110.92 0.20 . 1 . . . . . 118 GLY N . 51535 1 238 . 1 . 1 120 120 SER H H 1 8.55 0.03 . 1 . . . . . 120 SER H . 51535 1 239 . 1 . 1 120 120 SER CA C 13 58.32 0.20 . 1 . . . . . 120 SER CA . 51535 1 240 . 1 . 1 120 120 SER CB C 13 63.80 0.20 . 1 . . . . . 120 SER CB . 51535 1 241 . 1 . 1 120 120 SER N N 15 119.57 0.20 . 1 . . . . . 120 SER N . 51535 1 242 . 1 . 1 121 121 LEU H H 1 8.39 0.03 . 1 . . . . . 121 LEU H . 51535 1 243 . 1 . 1 121 121 LEU CA C 13 55.43 0.20 . 1 . . . . . 121 LEU CA . 51535 1 244 . 1 . 1 121 121 LEU CB C 13 42.02 0.20 . 1 . . . . . 121 LEU CB . 51535 1 245 . 1 . 1 121 121 LEU N N 15 123.86 0.20 . 1 . . . . . 121 LEU N . 51535 1 246 . 1 . 1 122 122 GLY H H 1 8.41 0.03 . 1 . . . . . 122 GLY H . 51535 1 247 . 1 . 1 122 122 GLY CA C 13 45.44 0.20 . 1 . . . . . 122 GLY CA . 51535 1 248 . 1 . 1 122 122 GLY N N 15 109.39 0.20 . 1 . . . . . 122 GLY N . 51535 1 249 . 1 . 1 123 123 GLY H H 1 8.29 0.03 . 1 . . . . . 123 GLY H . 51535 1 250 . 1 . 1 123 123 GLY CA C 13 45.16 0.20 . 1 . . . . . 123 GLY CA . 51535 1 251 . 1 . 1 123 123 GLY N N 15 108.63 0.20 . 1 . . . . . 123 GLY N . 51535 1 252 . 1 . 1 127 127 GLY H H 1 8.47 0.03 . 1 . . . . . 127 GLY H . 51535 1 253 . 1 . 1 127 127 GLY CA C 13 45.42 0.20 . 1 . . . . . 127 GLY CA . 51535 1 254 . 1 . 1 127 127 GLY N N 15 110.75 0.20 . 1 . . . . . 127 GLY N . 51535 1 255 . 1 . 1 128 128 SER H H 1 8.04 0.03 . 1 . . . . . 128 SER H . 51535 1 256 . 1 . 1 128 128 SER CB C 13 62.39 0.20 . 1 . . . . . 128 SER CB . 51535 1 257 . 1 . 1 128 128 SER N N 15 119.29 0.20 . 1 . . . . . 128 SER N . 51535 1 258 . 1 . 1 129 129 ILE H H 1 8.25 0.03 . 1 . . . . . 129 ILE H . 51535 1 259 . 1 . 1 129 129 ILE CA C 13 61.43 0.20 . 1 . . . . . 129 ILE CA . 51535 1 260 . 1 . 1 129 129 ILE CB C 13 38.63 0.20 . 1 . . . . . 129 ILE CB . 51535 1 261 . 1 . 1 129 129 ILE N N 15 122.72 0.20 . 1 . . . . . 129 ILE N . 51535 1 262 . 1 . 1 130 130 GLU H H 1 8.53 0.03 . 1 . . . . . 130 GLU H . 51535 1 263 . 1 . 1 130 130 GLU CA C 13 56.83 0.20 . 1 . . . . . 130 GLU CA . 51535 1 264 . 1 . 1 130 130 GLU CB C 13 29.89 0.20 . 1 . . . . . 130 GLU CB . 51535 1 265 . 1 . 1 130 130 GLU N N 15 124.97 0.20 . 1 . . . . . 130 GLU N . 51535 1 266 . 1 . 1 131 131 ARG H H 1 8.43 0.03 . 1 . . . . . 131 ARG H . 51535 1 267 . 1 . 1 131 131 ARG CA C 13 54.35 0.20 . 1 . . . . . 131 ARG CA . 51535 1 268 . 1 . 1 131 131 ARG CB C 13 30.71 0.20 . 1 . . . . . 131 ARG CB . 51535 1 269 . 1 . 1 131 131 ARG N N 15 122.44 0.20 . 1 . . . . . 131 ARG N . 51535 1 270 . 1 . 1 132 132 GLY H H 1 8.44 0.03 . 1 . . . . . 132 GLY H . 51535 1 271 . 1 . 1 132 132 GLY N N 15 109.62 0.20 . 1 . . . . . 132 GLY N . 51535 1 272 . 1 . 1 133 133 LEU H H 1 8.11 0.03 . 1 . . . . . 133 LEU H . 51535 1 273 . 1 . 1 133 133 LEU CA C 13 54.74 0.20 . 1 . . . . . 133 LEU CA . 51535 1 274 . 1 . 1 133 133 LEU CB C 13 42.47 0.20 . 1 . . . . . 133 LEU CB . 51535 1 275 . 1 . 1 133 133 LEU N N 15 121.50 0.20 . 1 . . . . . 133 LEU N . 51535 1 276 . 1 . 1 134 134 ALA H H 1 8.29 0.03 . 1 . . . . . 134 ALA H . 51535 1 277 . 1 . 1 134 134 ALA CA C 13 50.55 0.20 . 1 . . . . . 134 ALA CA . 51535 1 278 . 1 . 1 134 134 ALA CB C 13 18.03 0.20 . 1 . . . . . 134 ALA CB . 51535 1 279 . 1 . 1 134 134 ALA N N 15 126.41 0.20 . 1 . . . . . 134 ALA N . 51535 1 280 . 1 . 1 137 137 ASN H H 1 8.23 0.03 . 1 . . . . . 137 ASN H . 51535 1 281 . 1 . 1 137 137 ASN CA C 13 54.37 0.20 . 1 . . . . . 137 ASN CA . 51535 1 282 . 1 . 1 137 137 ASN CB C 13 39.02 0.20 . 1 . . . . . 137 ASN CB . 51535 1 283 . 1 . 1 137 137 ASN N N 15 120.45 0.20 . 1 . . . . . 137 ASN N . 51535 1 284 . 1 . 1 138 138 ASN H H 1 8.18 0.03 . 1 . . . . . 138 ASN H . 51535 1 285 . 1 . 1 138 138 ASN CA C 13 53.09 0.20 . 1 . . . . . 138 ASN CA . 51535 1 286 . 1 . 1 138 138 ASN CB C 13 41.66 0.20 . 1 . . . . . 138 ASN CB . 51535 1 287 . 1 . 1 138 138 ASN N N 15 123.07 0.20 . 1 . . . . . 138 ASN N . 51535 1 288 . 1 . 1 139 139 ILE H H 1 8.12 0.03 . 1 . . . . . 139 ILE H . 51535 1 289 . 1 . 1 139 139 ILE CA C 13 61.84 0.20 . 1 . . . . . 139 ILE CA . 51535 1 290 . 1 . 1 139 139 ILE N N 15 120.87 0.20 . 1 . . . . . 139 ILE N . 51535 1 291 . 1 . 1 140 140 GLY H H 1 8.50 0.03 . 1 . . . . . 140 GLY H . 51535 1 292 . 1 . 1 140 140 GLY CA C 13 45.38 0.20 . 1 . . . . . 140 GLY CA . 51535 1 293 . 1 . 1 140 140 GLY N N 15 112.48 0.20 . 1 . . . . . 140 GLY N . 51535 1 294 . 1 . 1 141 141 ALA H H 1 8.10 0.03 . 1 . . . . . 141 ALA H . 51535 1 295 . 1 . 1 141 141 ALA CA C 13 52.63 0.20 . 1 . . . . . 141 ALA CA . 51535 1 296 . 1 . 1 141 141 ALA CB C 13 19.22 0.20 . 1 . . . . . 141 ALA CB . 51535 1 297 . 1 . 1 141 141 ALA N N 15 123.59 0.20 . 1 . . . . . 141 ALA N . 51535 1 298 . 1 . 1 142 142 MET H H 1 8.34 0.03 . 1 . . . . . 142 MET H . 51535 1 299 . 1 . 1 142 142 MET CA C 13 55.48 0.20 . 1 . . . . . 142 MET CA . 51535 1 300 . 1 . 1 142 142 MET CB C 13 32.47 0.20 . 1 . . . . . 142 MET CB . 51535 1 301 . 1 . 1 142 142 MET N N 15 119.08 0.20 . 1 . . . . . 142 MET N . 51535 1 302 . 1 . 1 143 143 MET H H 1 8.35 0.03 . 1 . . . . . 143 MET H . 51535 1 303 . 1 . 1 143 143 MET CA C 13 55.54 0.20 . 1 . . . . . 143 MET CA . 51535 1 304 . 1 . 1 143 143 MET CB C 13 32.06 0.20 . 1 . . . . . 143 MET CB . 51535 1 305 . 1 . 1 143 143 MET N N 15 121.42 0.20 . 1 . . . . . 143 MET N . 51535 1 306 . 1 . 1 144 144 GLY H H 1 8.44 0.03 . 1 . . . . . 144 GLY H . 51535 1 307 . 1 . 1 144 144 GLY CA C 13 45.12 0.20 . 1 . . . . . 144 GLY CA . 51535 1 308 . 1 . 1 144 144 GLY N N 15 110.27 0.20 . 1 . . . . . 144 GLY N . 51535 1 309 . 1 . 1 145 145 VAL H H 1 8.02 0.03 . 1 . . . . . 145 VAL H . 51535 1 310 . 1 . 1 145 145 VAL CA C 13 62.20 0.20 . 1 . . . . . 145 VAL CA . 51535 1 311 . 1 . 1 145 145 VAL CB C 13 32.74 0.20 . 1 . . . . . 145 VAL CB . 51535 1 312 . 1 . 1 145 145 VAL N N 15 119.77 0.20 . 1 . . . . . 145 VAL N . 51535 1 313 . 1 . 1 146 146 GLN H H 1 8.58 0.03 . 1 . . . . . 146 GLN H . 51535 1 314 . 1 . 1 146 146 GLN CA C 13 53.24 0.20 . 1 . . . . . 146 GLN CA . 51535 1 315 . 1 . 1 146 146 GLN CB C 13 28.92 0.20 . 1 . . . . . 146 GLN CB . 51535 1 316 . 1 . 1 146 146 GLN N N 15 126.75 0.20 . 1 . . . . . 146 GLN N . 51535 1 stop_ save_