################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17910 _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 . _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 NCACX . . . 17910 1 2 NCOCX . . . 17910 1 3 CANCO . . . 17910 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 41 41 GLY C C 13 169.6 0.03 . 1 . . . . 41 GLY C . 17910 1 2 . 1 1 41 41 GLY CA C 13 47.5 0.08 . 1 . . . . 41 GLY CA . 17910 1 3 . 1 1 41 41 GLY N N 15 115.0 0.11 . 1 . . . . 41 GLY N . 17910 1 4 . 1 1 42 42 SER C C 13 171.3 0.17 . 1 . . . . 42 SER C . 17910 1 5 . 1 1 42 42 SER CA C 13 58.5 0.14 . 1 . . . . 42 SER CA . 17910 1 6 . 1 1 42 42 SER CB C 13 67.4 0.11 . 1 . . . . 42 SER CB . 17910 1 7 . 1 1 42 42 SER N N 15 108.6 0.10 . 1 . . . . 42 SER N . 17910 1 8 . 1 1 43 43 LYS C C 13 171.9 0.19 . 1 . . . . 43 LYS C . 17910 1 9 . 1 1 44 44 THR C C 13 175.4 0.14 . 1 . . . . 44 THR C . 17910 1 10 . 1 1 44 44 THR CA C 13 58.3 0.13 . 1 . . . . 44 THR CA . 17910 1 11 . 1 1 44 44 THR CB C 13 71.8 0.14 . 1 . . . . 44 THR CB . 17910 1 12 . 1 1 44 44 THR CG2 C 13 22.6 0.15 . 1 . . . . 44 THR CG2 . 17910 1 13 . 1 1 44 44 THR N N 15 121.9 0.03 . 1 . . . . 44 THR N . 17910 1 14 . 1 1 45 45 LYS C C 13 173.8 0.13 . 1 . . . . 45 LYS C . 17910 1 15 . 1 1 45 45 LYS CA C 13 55.9 0.13 . 1 . . . . 45 LYS CA . 17910 1 16 . 1 1 45 45 LYS CG C 13 27.0 0.07 . 1 . . . . 45 LYS CG . 17910 1 17 . 1 1 45 45 LYS N N 15 123.4 0.16 . 1 . . . . 45 LYS N . 17910 1 18 . 1 1 46 46 GLU C C 13 174.1 0.09 . 1 . . . . 46 GLU C . 17910 1 19 . 1 1 46 46 GLU CA C 13 53.8 0.14 . 1 . . . . 46 GLU CA . 17910 1 20 . 1 1 46 46 GLU CB C 13 34.5 0.13 . 1 . . . . 46 GLU CB . 17910 1 21 . 1 1 46 46 GLU CG C 13 34.5 0.12 . 1 . . . . 46 GLU CG . 17910 1 22 . 1 1 46 46 GLU CD C 13 183.0 0.09 . 1 . . . . 46 GLU CD . 17910 1 23 . 1 1 46 46 GLU N N 15 126.0 0.14 . 1 . . . . 46 GLU N . 17910 1 24 . 1 1 47 47 GLY C C 13 173.7 0.12 . 1 . . . . 47 GLY C . 17910 1 25 . 1 1 47 47 GLY CA C 13 49.2 0.12 . 1 . . . . 47 GLY CA . 17910 1 26 . 1 1 47 47 GLY N N 15 113.1 0.13 . 1 . . . . 47 GLY N . 17910 1 27 . 1 1 48 48 VAL C C 13 174.3 0.13 . 1 . . . . 48 VAL C . 17910 1 28 . 1 1 48 48 VAL CA C 13 59.3 0.10 . 1 . . . . 48 VAL CA . 17910 1 29 . 1 1 48 48 VAL CB C 13 37.9 0.08 . 1 . . . . 48 VAL CB . 17910 1 30 . 1 1 48 48 VAL CG1 C 13 23.7 0.06 . 2 . . . . 48 VAL CG1 . 17910 1 31 . 1 1 48 48 VAL CG2 C 13 20.6 0.11 . 2 . . . . 48 VAL CG2 . 17910 1 32 . 1 1 48 48 VAL N N 15 117.4 0.12 . 1 . . . . 48 VAL N . 17910 1 33 . 1 1 49 49 VAL C C 13 175.1 0.04 . 1 . . . . 49 VAL C . 17910 1 34 . 1 1 49 49 VAL CA C 13 61.1 0.12 . 1 . . . . 49 VAL CA . 17910 1 35 . 1 1 49 49 VAL CB C 13 34.1 0.09 . 1 . . . . 49 VAL CB . 17910 1 36 . 1 1 49 49 VAL CG2 C 13 20.6 0.02 . 2 . . . . 49 VAL CG2 . 17910 1 37 . 1 1 49 49 VAL N N 15 127.3 0.01 . 1 . . . . 49 VAL N . 17910 1 38 . 1 1 50 50 HIS N N 15 126.0 0.08 . 1 . . . . 50 HIS N . 17910 1 39 . 1 1 52 52 VAL C C 13 174.4 0.09 . 1 . . . . 52 VAL C . 17910 1 40 . 1 1 52 52 VAL CA C 13 61.3 0.18 . 1 . . . . 52 VAL CA . 17910 1 41 . 1 1 52 52 VAL CB C 13 34.0 0.07 . 1 . . . . 52 VAL CB . 17910 1 42 . 1 1 52 52 VAL CG1 C 13 21.2 0.03 . 2 . . . . 52 VAL CG1 . 17910 1 43 . 1 1 52 52 VAL CG2 C 13 21.2 0.03 . 2 . . . . 52 VAL CG2 . 17910 1 44 . 1 1 53 53 ALA C C 13 175.8 0.14 . 1 . . . . 53 ALA C . 17910 1 45 . 1 1 53 53 ALA CA C 13 49.6 0.10 . 1 . . . . 53 ALA CA . 17910 1 46 . 1 1 53 53 ALA CB C 13 21.4 0.22 . 1 . . . . 53 ALA CB . 17910 1 47 . 1 1 53 53 ALA N N 15 131.0 0.13 . 1 . . . . 53 ALA N . 17910 1 48 . 1 1 54 54 THR C C 13 173.0 0.11 . 1 . . . . 54 THR C . 17910 1 49 . 1 1 54 54 THR CA C 13 61.6 0.12 . 1 . . . . 54 THR CA . 17910 1 50 . 1 1 54 54 THR CB C 13 71.3 0.14 . 1 . . . . 54 THR CB . 17910 1 51 . 1 1 54 54 THR CG2 C 13 21.1 0.15 . 1 . . . . 54 THR CG2 . 17910 1 52 . 1 1 54 54 THR N N 15 121.1 0.15 . 1 . . . . 54 THR N . 17910 1 53 . 1 1 55 55 VAL C C 13 174.9 0.04 . 1 . . . . 55 VAL C . 17910 1 54 . 1 1 55 55 VAL CA C 13 61.3 0.03 . 1 . . . . 55 VAL CA . 17910 1 55 . 1 1 55 55 VAL CB C 13 34.3 0.00 . 1 . . . . 55 VAL CB . 17910 1 56 . 1 1 55 55 VAL CG1 C 13 22.5 0.00 . 2 . . . . 55 VAL CG1 . 17910 1 57 . 1 1 55 55 VAL CG2 C 13 21.3 0.00 . 2 . . . . 55 VAL CG2 . 17910 1 58 . 1 1 55 55 VAL N N 15 126.9 0.06 . 1 . . . . 55 VAL N . 17910 1 59 . 1 1 57 57 GLU C C 13 175.3 0.06 . 1 . . . . 57 GLU C . 17910 1 60 . 1 1 58 58 LYS C C 13 176.6 0.15 . 1 . . . . 58 LYS C . 17910 1 61 . 1 1 58 58 LYS CA C 13 54.0 0.15 . 1 . . . . 58 LYS CA . 17910 1 62 . 1 1 59 59 THR C C 13 175.2 0.13 . 1 . . . . 59 THR C . 17910 1 63 . 1 1 59 59 THR CA C 13 67.2 0.10 . 1 . . . . 59 THR CA . 17910 1 64 . 1 1 59 59 THR CB C 13 67.2 0.10 . 1 . . . . 59 THR CB . 17910 1 65 . 1 1 59 59 THR CG2 C 13 22.4 0.05 . 1 . . . . 59 THR CG2 . 17910 1 66 . 1 1 59 59 THR N N 15 121.9 0.09 . 1 . . . . 59 THR N . 17910 1 67 . 1 1 62 62 GLN C C 13 176.0 0.03 . 1 . . . . 62 GLN C . 17910 1 68 . 1 1 63 63 VAL C C 13 175.2 0.06 . 1 . . . . 63 VAL C . 17910 1 69 . 1 1 63 63 VAL CA C 13 61.5 0.00 . 1 . . . . 63 VAL CA . 17910 1 70 . 1 1 63 63 VAL CB C 13 34.7 0.11 . 1 . . . . 63 VAL CB . 17910 1 71 . 1 1 63 63 VAL CG1 C 13 21.5 0.10 . 2 . . . . 63 VAL CG1 . 17910 1 72 . 1 1 63 63 VAL CG2 C 13 20.6 0.04 . 2 . . . . 63 VAL CG2 . 17910 1 73 . 1 1 63 63 VAL N N 15 121.9 0.04 . 1 . . . . 63 VAL N . 17910 1 74 . 1 1 64 64 THR C C 13 175.2 0.19 . 1 . . . . 64 THR C . 17910 1 75 . 1 1 64 64 THR CA C 13 62.2 0.25 . 1 . . . . 64 THR CA . 17910 1 76 . 1 1 64 64 THR CB C 13 69.2 0.22 . 1 . . . . 64 THR CB . 17910 1 77 . 1 1 64 64 THR CG2 C 13 21.7 0.12 . 1 . . . . 64 THR CG2 . 17910 1 78 . 1 1 64 64 THR N N 15 126.8 0.20 . 1 . . . . 64 THR N . 17910 1 79 . 1 1 65 65 ASN C C 13 172.6 0.11 . 1 . . . . 65 ASN C . 17910 1 80 . 1 1 65 65 ASN CA C 13 51.6 0.17 . 1 . . . . 65 ASN CA . 17910 1 81 . 1 1 65 65 ASN CB C 13 42.9 0.21 . 1 . . . . 65 ASN CB . 17910 1 82 . 1 1 65 65 ASN CG C 13 175.1 0.12 . 1 . . . . 65 ASN CG . 17910 1 83 . 1 1 65 65 ASN N N 15 124.8 0.13 . 1 . . . . 65 ASN N . 17910 1 84 . 1 1 65 65 ASN ND2 N 15 115.7 0.10 . 1 . . . . 65 ASN ND2 . 17910 1 85 . 1 1 66 66 VAL C C 13 178.0 0.03 . 1 . . . . 66 VAL C . 17910 1 86 . 1 1 66 66 VAL CA C 13 60.7 0.20 . 1 . . . . 66 VAL CA . 17910 1 87 . 1 1 66 66 VAL CB C 13 35.5 0.10 . 1 . . . . 66 VAL CB . 17910 1 88 . 1 1 66 66 VAL N N 15 126.9 0.09 . 1 . . . . 66 VAL N . 17910 1 89 . 1 1 67 67 GLY C C 13 172.5 0.14 . 1 . . . . 67 GLY C . 17910 1 90 . 1 1 67 67 GLY CA C 13 46.3 0.13 . 1 . . . . 67 GLY CA . 17910 1 91 . 1 1 67 67 GLY N N 15 110.7 0.19 . 1 . . . . 67 GLY N . 17910 1 92 . 1 1 68 68 GLY C C 13 172.4 0.13 . 1 . . . . 68 GLY C . 17910 1 93 . 1 1 68 68 GLY CA C 13 43.0 0.18 . 1 . . . . 68 GLY CA . 17910 1 94 . 1 1 68 68 GLY N N 15 103.2 0.22 . 1 . . . . 68 GLY N . 17910 1 95 . 1 1 69 69 ALA C C 13 175.7 0.11 . 1 . . . . 69 ALA C . 17910 1 96 . 1 1 69 69 ALA CA C 13 49.8 0.16 . 1 . . . . 69 ALA CA . 17910 1 97 . 1 1 69 69 ALA CB C 13 23.1 0.12 . 1 . . . . 69 ALA CB . 17910 1 98 . 1 1 69 69 ALA N N 15 127.1 0.11 . 1 . . . . 69 ALA N . 17910 1 99 . 1 1 70 70 VAL C C 13 174.6 0.14 . 1 . . . . 70 VAL C . 17910 1 100 . 1 1 70 70 VAL CA C 13 60.1 0.13 . 1 . . . . 70 VAL CA . 17910 1 101 . 1 1 70 70 VAL CB C 13 35.8 0.12 . 1 . . . . 70 VAL CB . 17910 1 102 . 1 1 70 70 VAL CG1 C 13 21.3 0.08 . 2 . . . . 70 VAL CG1 . 17910 1 103 . 1 1 70 70 VAL CG2 C 13 21.3 0.08 . 2 . . . . 70 VAL CG2 . 17910 1 104 . 1 1 70 70 VAL N N 15 121.2 0.19 . 1 . . . . 70 VAL N . 17910 1 105 . 1 1 71 71 VAL C C 13 176.6 0.15 . 1 . . . . 71 VAL C . 17910 1 106 . 1 1 71 71 VAL CA C 13 60.9 0.16 . 1 . . . . 71 VAL CA . 17910 1 107 . 1 1 71 71 VAL CB C 13 35.4 0.13 . 1 . . . . 71 VAL CB . 17910 1 108 . 1 1 71 71 VAL CG1 C 13 21.7 0.13 . 2 . . . . 71 VAL CG1 . 17910 1 109 . 1 1 71 71 VAL CG2 C 13 20.8 0.06 . 2 . . . . 71 VAL CG2 . 17910 1 110 . 1 1 71 71 VAL N N 15 126.5 0.13 . 1 . . . . 71 VAL N . 17910 1 111 . 1 1 72 72 THR C C 13 175.4 0.12 . 1 . . . . 72 THR C . 17910 1 112 . 1 1 72 72 THR CA C 13 59.7 0.18 . 1 . . . . 72 THR CA . 17910 1 113 . 1 1 72 72 THR CB C 13 69.6 0.12 . 1 . . . . 72 THR CB . 17910 1 114 . 1 1 72 72 THR CG2 C 13 21.7 0.12 . 1 . . . . 72 THR CG2 . 17910 1 115 . 1 1 72 72 THR N N 15 114.7 0.20 . 1 . . . . 72 THR N . 17910 1 116 . 1 1 73 73 GLY C C 13 173.7 0.08 . 1 . . . . 73 GLY C . 17910 1 117 . 1 1 73 73 GLY CA C 13 43.8 0.12 . 1 . . . . 73 GLY CA . 17910 1 118 . 1 1 73 73 GLY N N 15 107.9 0.18 . 1 . . . . 73 GLY N . 17910 1 119 . 1 1 74 74 VAL C C 13 175.3 0.10 . 1 . . . . 74 VAL C . 17910 1 120 . 1 1 74 74 VAL CA C 13 61.0 0.12 . 1 . . . . 74 VAL CA . 17910 1 121 . 1 1 74 74 VAL CB C 13 35.0 0.10 . 1 . . . . 74 VAL CB . 17910 1 122 . 1 1 74 74 VAL CG1 C 13 21.1 0.09 . 2 . . . . 74 VAL CG1 . 17910 1 123 . 1 1 74 74 VAL CG2 C 13 19.5 0.09 . 2 . . . . 74 VAL CG2 . 17910 1 124 . 1 1 74 74 VAL N N 15 124.6 0.25 . 1 . . . . 74 VAL N . 17910 1 125 . 1 1 75 75 THR C C 13 172.3 0.13 . 1 . . . . 75 THR C . 17910 1 126 . 1 1 75 75 THR CA C 13 61.4 0.20 . 1 . . . . 75 THR CA . 17910 1 127 . 1 1 75 75 THR CB C 13 70.3 0.15 . 1 . . . . 75 THR CB . 17910 1 128 . 1 1 75 75 THR CG2 C 13 21.3 0.14 . 1 . . . . 75 THR CG2 . 17910 1 129 . 1 1 75 75 THR N N 15 128.1 0.17 . 1 . . . . 75 THR N . 17910 1 130 . 1 1 76 76 ALA C C 13 174.3 0.10 . 1 . . . . 76 ALA C . 17910 1 131 . 1 1 76 76 ALA CA C 13 49.6 0.12 . 1 . . . . 76 ALA CA . 17910 1 132 . 1 1 76 76 ALA CB C 13 21.2 0.07 . 1 . . . . 76 ALA CB . 17910 1 133 . 1 1 76 76 ALA N N 15 130.1 0.11 . 1 . . . . 76 ALA N . 17910 1 134 . 1 1 77 77 VAL C C 13 172.9 0.13 . 1 . . . . 77 VAL C . 17910 1 135 . 1 1 77 77 VAL CA C 13 60.6 0.12 . 1 . . . . 77 VAL CA . 17910 1 136 . 1 1 77 77 VAL CB C 13 35.9 0.09 . 1 . . . . 77 VAL CB . 17910 1 137 . 1 1 77 77 VAL CG1 C 13 21.2 0.11 . 2 . . . . 77 VAL CG1 . 17910 1 138 . 1 1 77 77 VAL CG2 C 13 20.6 0.07 . 2 . . . . 77 VAL CG2 . 17910 1 139 . 1 1 77 77 VAL N N 15 123.9 0.12 . 1 . . . . 77 VAL N . 17910 1 140 . 1 1 78 78 ALA C C 13 176.1 0.10 . 1 . . . . 78 ALA C . 17910 1 141 . 1 1 78 78 ALA CA C 13 49.8 0.14 . 1 . . . . 78 ALA CA . 17910 1 142 . 1 1 78 78 ALA CB C 13 25.0 0.12 . 1 . . . . 78 ALA CB . 17910 1 143 . 1 1 78 78 ALA N N 15 130.3 0.13 . 1 . . . . 78 ALA N . 17910 1 144 . 1 1 79 79 GLN C C 13 176.6 0.12 . 1 . . . . 79 GLN C . 17910 1 145 . 1 1 79 79 GLN CA C 13 52.3 0.15 . 1 . . . . 79 GLN CA . 17910 1 146 . 1 1 79 79 GLN CB C 13 33.0 0.11 . 1 . . . . 79 GLN CB . 17910 1 147 . 1 1 79 79 GLN CG C 13 33.0 0.08 . 1 . . . . 79 GLN CG . 17910 1 148 . 1 1 79 79 GLN CD C 13 176.6 0.09 . 1 . . . . 79 GLN CD . 17910 1 149 . 1 1 79 79 GLN N N 15 120.8 0.08 . 1 . . . . 79 GLN N . 17910 1 150 . 1 1 79 79 GLN NE2 N 15 111.9 0.05 . 1 . . . . 79 GLN NE2 . 17910 1 151 . 1 1 80 80 LYS C C 13 175.8 0.13 . 1 . . . . 80 LYS C . 17910 1 152 . 1 1 80 80 LYS CA C 13 60.8 0.11 . 1 . . . . 80 LYS CA . 17910 1 153 . 1 1 80 80 LYS CB C 13 33.0 0.18 . 1 . . . . 80 LYS CB . 17910 1 154 . 1 1 80 80 LYS CG C 13 26.9 0.09 . 1 . . . . 80 LYS CG . 17910 1 155 . 1 1 80 80 LYS CE C 13 42.2 0.07 . 1 . . . . 80 LYS CE . 17910 1 156 . 1 1 80 80 LYS N N 15 123.0 0.12 . 1 . . . . 80 LYS N . 17910 1 157 . 1 1 81 81 THR C C 13 173.8 0.09 . 1 . . . . 81 THR C . 17910 1 158 . 1 1 81 81 THR CA C 13 60.8 0.14 . 1 . . . . 81 THR CA . 17910 1 159 . 1 1 81 81 THR CB C 13 72.1 0.12 . 1 . . . . 81 THR CB . 17910 1 160 . 1 1 81 81 THR CG2 C 13 22.3 0.12 . 1 . . . . 81 THR CG2 . 17910 1 161 . 1 1 81 81 THR N N 15 113.2 0.19 . 1 . . . . 81 THR N . 17910 1 162 . 1 1 82 82 VAL C C 13 174.8 0.14 . 1 . . . . 82 VAL C . 17910 1 163 . 1 1 82 82 VAL CA C 13 61.1 0.10 . 1 . . . . 82 VAL CA . 17910 1 164 . 1 1 82 82 VAL CB C 13 34.3 0.08 . 1 . . . . 82 VAL CB . 17910 1 165 . 1 1 82 82 VAL CG1 C 13 22.2 0.01 . 2 . . . . 82 VAL CG1 . 17910 1 166 . 1 1 82 82 VAL CG2 C 13 21.2 0.13 . 2 . . . . 82 VAL CG2 . 17910 1 167 . 1 1 82 82 VAL N N 15 126.3 0.18 . 1 . . . . 82 VAL N . 17910 1 168 . 1 1 83 83 GLU C C 13 175.2 0.11 . 1 . . . . 83 GLU C . 17910 1 169 . 1 1 83 83 GLU CA C 13 53.6 0.17 . 1 . . . . 83 GLU CA . 17910 1 170 . 1 1 83 83 GLU CB C 13 33.9 0.03 . 1 . . . . 83 GLU CB . 17910 1 171 . 1 1 83 83 GLU CG C 13 33.9 0.02 . 1 . . . . 83 GLU CG . 17910 1 172 . 1 1 83 83 GLU N N 15 126.0 0.14 . 1 . . . . 83 GLU N . 17910 1 173 . 1 1 84 84 GLY C C 13 173.7 0.08 . 1 . . . . 84 GLY C . 17910 1 174 . 1 1 84 84 GLY CA C 13 44.76 0.15 . 1 . . . . 84 GLY CA . 17910 1 175 . 1 1 84 84 GLY N N 15 113.1 0.24 . 1 . . . . 84 GLY N . 17910 1 176 . 1 1 85 85 ALA C C 13 179.7 0.18 . 1 . . . . 85 ALA C . 17910 1 177 . 1 1 85 85 ALA CA C 13 53.2 0.11 . 1 . . . . 85 ALA CA . 17910 1 178 . 1 1 85 85 ALA CB C 13 18.2 0.10 . 1 . . . . 85 ALA CB . 17910 1 179 . 1 1 85 85 ALA N N 15 130.2 0.22 . 1 . . . . 85 ALA N . 17910 1 180 . 1 1 86 86 GLY C C 13 173.5 0.15 . 1 . . . . 86 GLY C . 17910 1 181 . 1 1 86 86 GLY CA C 13 46.4 0.11 . 1 . . . . 86 GLY CA . 17910 1 182 . 1 1 86 86 GLY N N 15 112.0 0.15 . 1 . . . . 86 GLY N . 17910 1 183 . 1 1 87 87 SER C C 13 173.5 0.12 . 1 . . . . 87 SER C . 17910 1 184 . 1 1 87 87 SER CA C 13 58.7 0.12 . 1 . . . . 87 SER CA . 17910 1 185 . 1 1 87 87 SER CB C 13 64.5 0.12 . 1 . . . . 87 SER CB . 17910 1 186 . 1 1 87 87 SER N N 15 116.4 0.16 . 1 . . . . 87 SER N . 17910 1 187 . 1 1 88 88 ILE C C 13 175.6 0.13 . 1 . . . . 88 ILE C . 17910 1 188 . 1 1 88 88 ILE CA C 13 60.0 0.14 . 1 . . . . 88 ILE CA . 17910 1 189 . 1 1 88 88 ILE CB C 13 40.5 0.10 . 1 . . . . 88 ILE CB . 17910 1 190 . 1 1 88 88 ILE CG1 C 13 27.4 0.10 . 1 . . . . 88 ILE CG1 . 17910 1 191 . 1 1 88 88 ILE CG2 C 13 17.5 0.07 . 1 . . . . 88 ILE CG2 . 17910 1 192 . 1 1 88 88 ILE CD1 C 13 13.6 0.10 . 1 . . . . 88 ILE CD1 . 17910 1 193 . 1 1 88 88 ILE N N 15 121.7 0.17 . 1 . . . . 88 ILE N . 17910 1 194 . 1 1 89 89 ALA C C 13 176.9 0.12 . 1 . . . . 89 ALA C . 17910 1 195 . 1 1 89 89 ALA CA C 13 54.8 0.10 . 1 . . . . 89 ALA CA . 17910 1 196 . 1 1 89 89 ALA CB C 13 18.8 0.08 . 1 . . . . 89 ALA CB . 17910 1 197 . 1 1 89 89 ALA N N 15 129.2 0.12 . 1 . . . . 89 ALA N . 17910 1 198 . 1 1 90 90 ALA C C 13 174.8 0.11 . 1 . . . . 90 ALA C . 17910 1 199 . 1 1 90 90 ALA CA C 13 51.2 0.13 . 1 . . . . 90 ALA CA . 17910 1 200 . 1 1 90 90 ALA CB C 13 21.1 0.08 . 1 . . . . 90 ALA CB . 17910 1 201 . 1 1 90 90 ALA N N 15 123.5 0.23 . 1 . . . . 90 ALA N . 17910 1 202 . 1 1 91 91 ALA C C 13 175.6 0.07 . 1 . . . . 91 ALA C . 17910 1 203 . 1 1 91 91 ALA CA C 13 49.5 0.13 . 1 . . . . 91 ALA CA . 17910 1 204 . 1 1 91 91 ALA CB C 13 23.0 0.08 . 1 . . . . 91 ALA CB . 17910 1 205 . 1 1 91 91 ALA N N 15 127.9 0.15 . 1 . . . . 91 ALA N . 17910 1 206 . 1 1 92 92 THR C C 13 174.6 0.11 . 1 . . . . 92 THR C . 17910 1 207 . 1 1 92 92 THR CA C 13 60.9 0.12 . 1 . . . . 92 THR CA . 17910 1 208 . 1 1 92 92 THR CB C 13 69.7 0.11 . 1 . . . . 92 THR CB . 17910 1 209 . 1 1 92 92 THR CG2 C 13 21.8 0.13 . 1 . . . . 92 THR CG2 . 17910 1 210 . 1 1 92 92 THR N N 15 125.5 0.19 . 1 . . . . 92 THR N . 17910 1 211 . 1 1 93 93 GLY C C 13 170.0 0.11 . 1 . . . . 93 GLY C . 17910 1 212 . 1 1 93 93 GLY CA C 13 47.3 0.15 . 1 . . . . 93 GLY CA . 17910 1 213 . 1 1 93 93 GLY N N 15 115.3 0.07 . 1 . . . . 93 GLY N . 17910 1 214 . 1 1 94 94 PHE C C 13 174.1 0.12 . 1 . . . . 94 PHE C . 17910 1 215 . 1 1 94 94 PHE CA C 13 54.3 0.12 . 1 . . . . 94 PHE CA . 17910 1 216 . 1 1 94 94 PHE CB C 13 45.1 0.08 . 1 . . . . 94 PHE CB . 17910 1 217 . 1 1 94 94 PHE N N 15 126.5 0.13 . 1 . . . . 94 PHE N . 17910 1 218 . 1 1 95 95 VAL C C 13 171.3 0.14 . 1 . . . . 95 VAL C . 17910 1 219 . 1 1 95 95 VAL CA C 13 61.0 0.18 . 1 . . . . 95 VAL CA . 17910 1 220 . 1 1 95 95 VAL CB C 13 34.9 0.13 . 1 . . . . 95 VAL CB . 17910 1 221 . 1 1 95 95 VAL CG1 C 13 22.2 0.21 . 2 . . . . 95 VAL CG1 . 17910 1 222 . 1 1 95 95 VAL CG2 C 13 20.5 0.08 . 2 . . . . 95 VAL CG2 . 17910 1 223 . 1 1 95 95 VAL N N 15 127.8 0.15 . 1 . . . . 95 VAL N . 17910 1 224 . 1 1 96 96 LYS C C 13 173.2 0.18 . 1 . . . . 96 LYS C . 17910 1 225 . 1 1 96 96 LYS CA C 13 54.7 0.18 . 1 . . . . 96 LYS CA . 17910 1 226 . 1 1 96 96 LYS N N 15 133.0 0.17 . 1 . . . . 96 LYS N . 17910 1 227 . 1 1 97 97 LYS C C 13 175.2 0.03 . 1 . . . . 97 LYS C . 17910 1 228 . 1 1 97 97 LYS CA C 13 53.8 0.03 . 1 . . . . 97 LYS CA . 17910 1 229 . 1 1 97 97 LYS N N 15 130.2 0.19 . 1 . . . . 97 LYS N . 17910 1 230 . 1 1 98 98 ASP CA C 13 55.0 0.03 . 1 . . . . 98 ASP CA . 17910 1 231 . 1 1 98 98 ASP N N 15 124.3 0.19 . 1 . . . . 98 ASP N . 17910 1 stop_ save_