################################### # 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 16939 _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 50 ms DARR' . . . 16939 1 2 'NCOCX 50 ms DARR' . . . 16939 1 3 'NCOCX 250 ms DARR' . . . 16939 1 4 'CANcoCX 50 ms DARR' . . . 16939 1 5 'CONcaCX 10 ms DARR' . . . 16939 1 6 'NCACX 250 ms DARR' . . . 16939 1 7 'NCOCX 250 ms DARR' . . . 16939 1 8 'NCOCX 250 ms DARR' . . . 16939 1 9 CANCO . . . 16939 1 10 CANCO . . . 16939 1 11 'NCACX 50 ms DARR' . . . 16939 1 12 'NCOCX 50 ms DARR' . . . 16939 1 13 'NCACX 500 ms DARR' . . . 16939 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 30 30 ALA CA C 13 51.92 0.04 . 1 . . . . 30 ALA CA . 16939 1 2 . 1 1 31 31 GLY C C 13 174.26 0.00 . 1 . . . . 31 GLY C . 16939 1 3 . 1 1 31 31 GLY CA C 13 45.20 0.10 . 1 . . . . 31 GLY CA . 16939 1 4 . 1 1 31 31 GLY N N 15 114.05 0.18 . 1 . . . . 31 GLY N . 16939 1 5 . 1 1 32 32 LYS C C 13 174.97 0.12 . 1 . . . . 32 LYS C . 16939 1 6 . 1 1 32 32 LYS CA C 13 56.46 0.06 . 1 . . . . 32 LYS CA . 16939 1 7 . 1 1 32 32 LYS CE C 13 42.04 0.00 . 1 . . . . 32 LYS CE . 16939 1 8 . 1 1 32 32 LYS N N 15 122.09 0.12 . 1 . . . . 32 LYS N . 16939 1 9 . 1 1 33 33 THR CA C 13 60.84 0.10 . 1 . . . . 33 THR CA . 16939 1 10 . 1 1 33 33 THR CB C 13 69.35 0.10 . 1 . . . . 33 THR CB . 16939 1 11 . 1 1 33 33 THR CG2 C 13 23.41 0.03 . 1 . . . . 33 THR CG2 . 16939 1 12 . 1 1 33 33 THR N N 15 106.19 0.10 . 1 . . . . 33 THR N . 16939 1 13 . 1 1 35 35 GLU CA C 13 53.75 0.10 . 1 . . . . 35 GLU CA . 16939 1 14 . 1 1 35 35 GLU CB C 13 33.76 0.12 . 1 . . . . 35 GLU CB . 16939 1 15 . 1 1 35 35 GLU CG C 13 36.08 0.11 . 1 . . . . 35 GLU CG . 16939 1 16 . 1 1 35 35 GLU CD C 13 183.18 0.07 . 1 . . . . 35 GLU CD . 16939 1 17 . 1 1 35 35 GLU N N 15 126.05 0.11 . 1 . . . . 35 GLU N . 16939 1 18 . 1 1 36 36 GLY C C 13 172.27 0.00 . 1 . . . . 36 GLY C . 16939 1 19 . 1 1 36 36 GLY CA C 13 48.81 0.08 . 1 . . . . 36 GLY CA . 16939 1 20 . 1 1 36 36 GLY N N 15 110.38 0.05 . 1 . . . . 36 GLY N . 16939 1 21 . 1 1 37 37 VAL CA C 13 60.06 0.09 . 1 . . . . 37 VAL CA . 16939 1 22 . 1 1 37 37 VAL CB C 13 35.66 0.08 . 1 . . . . 37 VAL CB . 16939 1 23 . 1 1 37 37 VAL CG1 C 13 20.18 0.03 . 2 . . . . 37 VAL CG1 . 16939 1 24 . 1 1 37 37 VAL CG2 C 13 21.19 0.14 . 2 . . . . 37 VAL CG2 . 16939 1 25 . 1 1 37 37 VAL N N 15 121.91 0.06 . 1 . . . . 37 VAL N . 16939 1 26 . 1 1 39 39 TYR C C 13 175.13 0.03 . 1 . . . . 39 TYR C . 16939 1 27 . 1 1 39 39 TYR CA C 13 53.55 0.03 . 1 . . . . 39 TYR CA . 16939 1 28 . 1 1 39 39 TYR CB C 13 36.17 0.04 . 1 . . . . 39 TYR CB . 16939 1 29 . 1 1 39 39 TYR CG C 13 130.10 0.00 . 1 . . . . 39 TYR CG . 16939 1 30 . 1 1 39 39 TYR CD1 C 13 133.06 0.15 . 3 . . . . 39 TYR CD1 . 16939 1 31 . 1 1 39 39 TYR CD2 C 13 133.06 0.15 . 3 . . . . 39 TYR CD2 . 16939 1 32 . 1 1 39 39 TYR CE1 C 13 118.88 0.14 . 3 . . . . 39 TYR CE1 . 16939 1 33 . 1 1 39 39 TYR CE2 C 13 118.88 0.14 . 3 . . . . 39 TYR CE2 . 16939 1 34 . 1 1 39 39 TYR CZ C 13 157.90 0.20 . 1 . . . . 39 TYR CZ . 16939 1 35 . 1 1 39 39 TYR N N 15 119.39 0.13 . 1 . . . . 39 TYR N . 16939 1 36 . 1 1 40 40 VAL CA C 13 59.72 0.05 . 1 . . . . 40 VAL CA . 16939 1 37 . 1 1 40 40 VAL CB C 13 35.53 0.00 . 1 . . . . 40 VAL CB . 16939 1 38 . 1 1 40 40 VAL CG1 C 13 21.87 0.14 . 2 . . . . 40 VAL CG1 . 16939 1 39 . 1 1 40 40 VAL CG2 C 13 21.87 0.14 . 2 . . . . 40 VAL CG2 . 16939 1 40 . 1 1 40 40 VAL N N 15 125.98 0.00 . 1 . . . . 40 VAL N . 16939 1 41 . 1 1 41 41 GLY C C 13 174.07 0.03 . 1 . . . . 41 GLY C . 16939 1 42 . 1 1 41 41 GLY CA C 13 48.18 0.08 . 1 . . . . 41 GLY CA . 16939 1 43 . 1 1 41 41 GLY N N 15 115.5 0.11 . 1 . . . . 41 GLY N . 16939 1 44 . 1 1 42 42 SER C C 13 171.33 0.17 . 1 . . . . 42 SER C . 16939 1 45 . 1 1 42 42 SER CA C 13 58.42 0.14 . 1 . . . . 42 SER CA . 16939 1 46 . 1 1 42 42 SER CB C 13 67.68 0.11 . 1 . . . . 42 SER CB . 16939 1 47 . 1 1 42 42 SER N N 15 111.77 0.10 . 1 . . . . 42 SER N . 16939 1 48 . 1 1 43 43 LYS C C 13 173.10 0.19 . 1 . . . . 43 LYS C . 16939 1 49 . 1 1 43 43 LYS CA C 13 54.82 0.19 . 1 . . . . 43 LYS CA . 16939 1 50 . 1 1 43 43 LYS CB C 13 38.04 0.09 . 1 . . . . 43 LYS CB . 16939 1 51 . 1 1 43 43 LYS CG C 13 25.93 0.09 . 1 . . . . 43 LYS CG . 16939 1 52 . 1 1 43 43 LYS CD C 13 31.11 0.06 . 1 . . . . 43 LYS CD . 16939 1 53 . 1 1 43 43 LYS CE C 13 41.85 0.08 . 1 . . . . 43 LYS CE . 16939 1 54 . 1 1 43 43 LYS N N 15 122.47 0.14 . 1 . . . . 43 LYS N . 16939 1 55 . 1 1 43 43 LYS NZ N 15 29.48 0.03 . 1 . . . . 43 LYS NZ . 16939 1 56 . 1 1 44 44 THR C C 13 175.39 0.14 . 1 . . . . 44 THR C . 16939 1 57 . 1 1 44 44 THR CA C 13 59.49 0.13 . 1 . . . . 44 THR CA . 16939 1 58 . 1 1 44 44 THR CB C 13 71.43 0.14 . 1 . . . . 44 THR CB . 16939 1 59 . 1 1 44 44 THR CG2 C 13 22.34 0.15 . 1 . . . . 44 THR CG2 . 16939 1 60 . 1 1 44 44 THR N N 15 113.75 0.03 . 1 . . . . 44 THR N . 16939 1 61 . 1 1 45 45 LYS C C 13 173.69 0.13 . 1 . . . . 45 LYS C . 16939 1 62 . 1 1 45 45 LYS CA C 13 56.16 0.13 . 1 . . . . 45 LYS CA . 16939 1 63 . 1 1 45 45 LYS CB C 13 36.78 0.14 . 1 . . . . 45 LYS CB . 16939 1 64 . 1 1 45 45 LYS CG C 13 27.23 0.07 . 1 . . . . 45 LYS CG . 16939 1 65 . 1 1 45 45 LYS CD C 13 30.72 0.12 . 1 . . . . 45 LYS CD . 16939 1 66 . 1 1 45 45 LYS CE C 13 42.23 0.11 . 1 . . . . 45 LYS CE . 16939 1 67 . 1 1 45 45 LYS N N 15 122.69 0.16 . 1 . . . . 45 LYS N . 16939 1 68 . 1 1 45 45 LYS NZ N 15 33.87 0.04 . 1 . . . . 45 LYS NZ . 16939 1 69 . 1 1 46 46 GLU C C 13 174.95 0.09 . 1 . . . . 46 GLU C . 16939 1 70 . 1 1 46 46 GLU CA C 13 53.87 0.14 . 1 . . . . 46 GLU CA . 16939 1 71 . 1 1 46 46 GLU CB C 13 32.40 0.13 . 1 . . . . 46 GLU CB . 16939 1 72 . 1 1 46 46 GLU CG C 13 35.16 0.12 . 1 . . . . 46 GLU CG . 16939 1 73 . 1 1 46 46 GLU CD C 13 182.83 0.09 . 1 . . . . 46 GLU CD . 16939 1 74 . 1 1 46 46 GLU N N 15 126.40 0.14 . 1 . . . . 46 GLU N . 16939 1 75 . 1 1 47 47 GLY C C 13 172.72 0.12 . 1 . . . . 47 GLY C . 16939 1 76 . 1 1 47 47 GLY CA C 13 48.38 0.12 . 1 . . . . 47 GLY CA . 16939 1 77 . 1 1 47 47 GLY N N 15 115.64 0.13 . 1 . . . . 47 GLY N . 16939 1 78 . 1 1 48 48 VAL C C 13 174.63 0.13 . 1 . . . . 48 VAL C . 16939 1 79 . 1 1 48 48 VAL CA C 13 59.49 0.10 . 1 . . . . 48 VAL CA . 16939 1 80 . 1 1 48 48 VAL CB C 13 37.74 0.08 . 1 . . . . 48 VAL CB . 16939 1 81 . 1 1 48 48 VAL CG1 C 13 24.03 0.06 . 2 . . . . 48 VAL CG1 . 16939 1 82 . 1 1 48 48 VAL CG2 C 13 20.74 0.11 . 2 . . . . 48 VAL CG2 . 16939 1 83 . 1 1 48 48 VAL N N 15 118.60 0.12 . 1 . . . . 48 VAL N . 16939 1 84 . 1 1 49 49 VAL C C 13 174.68 0.04 . 1 . . . . 49 VAL C . 16939 1 85 . 1 1 49 49 VAL CA C 13 61.34 0.12 . 1 . . . . 49 VAL CA . 16939 1 86 . 1 1 49 49 VAL CB C 13 34.23 0.09 . 1 . . . . 49 VAL CB . 16939 1 87 . 1 1 49 49 VAL CG1 C 13 22.63 0.07 . 2 . . . . 49 VAL CG1 . 16939 1 88 . 1 1 49 49 VAL CG2 C 13 20.53 0.02 . 2 . . . . 49 VAL CG2 . 16939 1 89 . 1 1 49 49 VAL N N 15 126.71 0.01 . 1 . . . . 49 VAL N . 16939 1 90 . 1 1 50 50 HIS CA C 13 52.68 0.03 . 1 . . . . 50 HIS CA . 16939 1 91 . 1 1 50 50 HIS CG C 13 127.18 0.13 . 1 . . . . 50 HIS CG . 16939 1 92 . 1 1 50 50 HIS N N 15 125.81 0.08 . 1 . . . . 50 HIS N . 16939 1 93 . 1 1 51 51 GLY CA C 13 47.94 0.11 . 1 . . . . 51 GLY CA . 16939 1 94 . 1 1 52 52 VAL C C 13 174.75 0.09 . 1 . . . . 52 VAL C . 16939 1 95 . 1 1 52 52 VAL CA C 13 61.20 0.18 . 1 . . . . 52 VAL CA . 16939 1 96 . 1 1 52 52 VAL CB C 13 33.34 0.07 . 1 . . . . 52 VAL CB . 16939 1 97 . 1 1 52 52 VAL CG1 C 13 20.78 0.03 . 2 . . . . 52 VAL CG1 . 16939 1 98 . 1 1 52 52 VAL CG2 C 13 20.78 0.03 . 2 . . . . 52 VAL CG2 . 16939 1 99 . 1 1 52 52 VAL N N 15 123.56 0.00 . 1 . . . . 52 VAL N . 16939 1 100 . 1 1 53 53 ALA C C 13 175.89 0.14 . 1 . . . . 53 ALA C . 16939 1 101 . 1 1 53 53 ALA CA C 13 49.80 0.10 . 1 . . . . 53 ALA CA . 16939 1 102 . 1 1 53 53 ALA CB C 13 20.80 0.22 . 1 . . . . 53 ALA CB . 16939 1 103 . 1 1 53 53 ALA N N 15 132.70 0.13 . 1 . . . . 53 ALA N . 16939 1 104 . 1 1 54 54 THR C C 13 173.22 0.11 . 1 . . . . 54 THR C . 16939 1 105 . 1 1 54 54 THR CA C 13 61.50 0.12 . 1 . . . . 54 THR CA . 16939 1 106 . 1 1 54 54 THR CB C 13 71.51 0.14 . 1 . . . . 54 THR CB . 16939 1 107 . 1 1 54 54 THR CG2 C 13 21.60 0.15 . 1 . . . . 54 THR CG2 . 16939 1 108 . 1 1 54 54 THR N N 15 121.15 0.15 . 1 . . . . 54 THR N . 16939 1 109 . 1 1 55 55 VAL C C 13 174.59 0.04 . 1 . . . . 55 VAL C . 16939 1 110 . 1 1 55 55 VAL CA C 13 61.07 0.03 . 1 . . . . 55 VAL CA . 16939 1 111 . 1 1 55 55 VAL CB C 13 35.02 0.00 . 1 . . . . 55 VAL CB . 16939 1 112 . 1 1 55 55 VAL CG1 C 13 22.32 0.00 . 2 . . . . 55 VAL CG1 . 16939 1 113 . 1 1 55 55 VAL CG2 C 13 20.85 0.00 . 2 . . . . 55 VAL CG2 . 16939 1 114 . 1 1 55 55 VAL N N 15 126.6 0.06 . 1 . . . . 55 VAL N . 16939 1 115 . 1 1 58 58 LYS C C 13 176.61 0.15 . 1 . . . . 58 LYS C . 16939 1 116 . 1 1 58 58 LYS CA C 13 55.56 0.15 . 1 . . . . 58 LYS CA . 16939 1 117 . 1 1 58 58 LYS CB C 13 35.62 0.13 . 1 . . . . 58 LYS CB . 16939 1 118 . 1 1 58 58 LYS CG C 13 25.91 0.11 . 1 . . . . 58 LYS CG . 16939 1 119 . 1 1 58 58 LYS CD C 13 30.16 0.07 . 1 . . . . 58 LYS CD . 16939 1 120 . 1 1 58 58 LYS CE C 13 42.00 0.09 . 1 . . . . 58 LYS CE . 16939 1 121 . 1 1 58 58 LYS NZ N 15 34.12 0.08 . 1 . . . . 58 LYS NZ . 16939 1 122 . 1 1 59 59 THR C C 13 174.31 0.13 . 1 . . . . 59 THR C . 16939 1 123 . 1 1 59 59 THR CA C 13 67.20 0.10 . 1 . . . . 59 THR CA . 16939 1 124 . 1 1 59 59 THR CB C 13 67.20 0.10 . 1 . . . . 59 THR CB . 16939 1 125 . 1 1 59 59 THR CG2 C 13 22.60 0.05 . 1 . . . . 59 THR CG2 . 16939 1 126 . 1 1 59 59 THR N N 15 122.35 0.09 . 1 . . . . 59 THR N . 16939 1 127 . 1 1 60 60 LYS CA C 13 54.75 0.18 . 1 . . . . 60 LYS CA . 16939 1 128 . 1 1 60 60 LYS N N 15 120.53 0.19 . 1 . . . . 60 LYS N . 16939 1 129 . 1 1 62 62 GLN C C 13 175.57 0.03 . 1 . . . . 62 GLN C . 16939 1 130 . 1 1 63 63 VAL C C 13 174.65 0.06 . 1 . . . . 63 VAL C . 16939 1 131 . 1 1 63 63 VAL CA C 13 60.54 0.00 . 1 . . . . 63 VAL CA . 16939 1 132 . 1 1 63 63 VAL CB C 13 34.23 0.11 . 1 . . . . 63 VAL CB . 16939 1 133 . 1 1 63 63 VAL CG1 C 13 21.33 0.10 . 2 . . . . 63 VAL CG1 . 16939 1 134 . 1 1 63 63 VAL CG2 C 13 20.62 0.04 . 2 . . . . 63 VAL CG2 . 16939 1 135 . 1 1 63 63 VAL N N 15 122.3 0.04 . 1 . . . . 63 VAL N . 16939 1 136 . 1 1 64 64 THR C C 13 172.67 0.19 . 1 . . . . 64 THR C . 16939 1 137 . 1 1 64 64 THR CA C 13 62.23 0.25 . 1 . . . . 64 THR CA . 16939 1 138 . 1 1 64 64 THR CB C 13 69.56 0.22 . 1 . . . . 64 THR CB . 16939 1 139 . 1 1 64 64 THR CG2 C 13 21.70 0.12 . 1 . . . . 64 THR CG2 . 16939 1 140 . 1 1 64 64 THR N N 15 126.74 0.20 . 1 . . . . 64 THR N . 16939 1 141 . 1 1 65 65 ASN C C 13 172.66 0.11 . 1 . . . . 65 ASN C . 16939 1 142 . 1 1 65 65 ASN CA C 13 51.71 0.17 . 1 . . . . 65 ASN CA . 16939 1 143 . 1 1 65 65 ASN CB C 13 42.84 0.21 . 1 . . . . 65 ASN CB . 16939 1 144 . 1 1 65 65 ASN CG C 13 175.24 0.12 . 1 . . . . 65 ASN CG . 16939 1 145 . 1 1 65 65 ASN N N 15 125.15 0.13 . 1 . . . . 65 ASN N . 16939 1 146 . 1 1 66 66 VAL C C 13 178.31 0.03 . 1 . . . . 66 VAL C . 16939 1 147 . 1 1 66 66 VAL CA C 13 60.55 0.20 . 1 . . . . 66 VAL CA . 16939 1 148 . 1 1 66 66 VAL CB C 13 33.90 0.10 . 1 . . . . 66 VAL CB . 16939 1 149 . 1 1 66 66 VAL N N 15 127.17 0.09 . 1 . . . . 66 VAL N . 16939 1 150 . 1 1 67 67 GLY C C 13 172.49 0.14 . 1 . . . . 67 GLY C . 16939 1 151 . 1 1 67 67 GLY CA C 13 46.47 0.13 . 1 . . . . 67 GLY CA . 16939 1 152 . 1 1 67 67 GLY N N 15 110.98 0.19 . 1 . . . . 67 GLY N . 16939 1 153 . 1 1 68 68 GLY C C 13 172.32 0.13 . 1 . . . . 68 GLY C . 16939 1 154 . 1 1 68 68 GLY CA C 13 43.26 0.18 . 1 . . . . 68 GLY CA . 16939 1 155 . 1 1 68 68 GLY N N 15 102.50 0.22 . 1 . . . . 68 GLY N . 16939 1 156 . 1 1 69 69 ALA C C 13 175.41 0.11 . 1 . . . . 69 ALA C . 16939 1 157 . 1 1 69 69 ALA CA C 13 50.23 0.16 . 1 . . . . 69 ALA CA . 16939 1 158 . 1 1 69 69 ALA CB C 13 23.34 0.12 . 1 . . . . 69 ALA CB . 16939 1 159 . 1 1 69 69 ALA N N 15 126.44 0.11 . 1 . . . . 69 ALA N . 16939 1 160 . 1 1 70 70 VAL C C 13 174.61 0.14 . 1 . . . . 70 VAL C . 16939 1 161 . 1 1 70 70 VAL CA C 13 60.04 0.13 . 1 . . . . 70 VAL CA . 16939 1 162 . 1 1 70 70 VAL CB C 13 35.83 0.12 . 1 . . . . 70 VAL CB . 16939 1 163 . 1 1 70 70 VAL CG1 C 13 21.34 0.08 . 2 . . . . 70 VAL CG1 . 16939 1 164 . 1 1 70 70 VAL CG2 C 13 21.34 0.08 . 2 . . . . 70 VAL CG2 . 16939 1 165 . 1 1 70 70 VAL N N 15 120.67 0.19 . 1 . . . . 70 VAL N . 16939 1 166 . 1 1 71 71 VAL C C 13 176.48 0.15 . 1 . . . . 71 VAL C . 16939 1 167 . 1 1 71 71 VAL CA C 13 61.01 0.16 . 1 . . . . 71 VAL CA . 16939 1 168 . 1 1 71 71 VAL CB C 13 35.26 0.13 . 1 . . . . 71 VAL CB . 16939 1 169 . 1 1 71 71 VAL CG1 C 13 21.95 0.13 . 2 . . . . 71 VAL CG1 . 16939 1 170 . 1 1 71 71 VAL CG2 C 13 20.89 0.06 . 2 . . . . 71 VAL CG2 . 16939 1 171 . 1 1 71 71 VAL N N 15 126.31 0.13 . 1 . . . . 71 VAL N . 16939 1 172 . 1 1 72 72 THR C C 13 175.54 0.12 . 1 . . . . 72 THR C . 16939 1 173 . 1 1 72 72 THR CA C 13 59.48 0.18 . 1 . . . . 72 THR CA . 16939 1 174 . 1 1 72 72 THR CB C 13 69.54 0.12 . 1 . . . . 72 THR CB . 16939 1 175 . 1 1 72 72 THR CG2 C 13 21.98 0.12 . 1 . . . . 72 THR CG2 . 16939 1 176 . 1 1 72 72 THR N N 15 115.20 0.20 . 1 . . . . 72 THR N . 16939 1 177 . 1 1 73 73 GLY C C 13 173.44 0.08 . 1 . . . . 73 GLY C . 16939 1 178 . 1 1 73 73 GLY CA C 13 43.95 0.12 . 1 . . . . 73 GLY CA . 16939 1 179 . 1 1 73 73 GLY N N 15 109.23 0.18 . 1 . . . . 73 GLY N . 16939 1 180 . 1 1 74 74 VAL C C 13 175.14 0.10 . 1 . . . . 74 VAL C . 16939 1 181 . 1 1 74 74 VAL CA C 13 61.36 0.12 . 1 . . . . 74 VAL CA . 16939 1 182 . 1 1 74 74 VAL CB C 13 34.90 0.10 . 1 . . . . 74 VAL CB . 16939 1 183 . 1 1 74 74 VAL CG1 C 13 21.05 0.09 . 2 . . . . 74 VAL CG1 . 16939 1 184 . 1 1 74 74 VAL CG2 C 13 19.58 0.09 . 2 . . . . 74 VAL CG2 . 16939 1 185 . 1 1 74 74 VAL N N 15 124.26 0.25 . 1 . . . . 74 VAL N . 16939 1 186 . 1 1 75 75 THR C C 13 172.09 0.13 . 1 . . . . 75 THR C . 16939 1 187 . 1 1 75 75 THR CA C 13 61.74 0.20 . 1 . . . . 75 THR CA . 16939 1 188 . 1 1 75 75 THR CB C 13 70.36 0.15 . 1 . . . . 75 THR CB . 16939 1 189 . 1 1 75 75 THR CG2 C 13 21.41 0.14 . 1 . . . . 75 THR CG2 . 16939 1 190 . 1 1 75 75 THR N N 15 127.78 0.17 . 1 . . . . 75 THR N . 16939 1 191 . 1 1 76 76 ALA C C 13 174.34 0.10 . 1 . . . . 76 ALA C . 16939 1 192 . 1 1 76 76 ALA CA C 13 49.66 0.12 . 1 . . . . 76 ALA CA . 16939 1 193 . 1 1 76 76 ALA CB C 13 21.34 0.07 . 1 . . . . 76 ALA CB . 16939 1 194 . 1 1 76 76 ALA N N 15 130.36 0.11 . 1 . . . . 76 ALA N . 16939 1 195 . 1 1 77 77 VAL C C 13 172.94 0.13 . 1 . . . . 77 VAL C . 16939 1 196 . 1 1 77 77 VAL CA C 13 60.50 0.12 . 1 . . . . 77 VAL CA . 16939 1 197 . 1 1 77 77 VAL CB C 13 35.84 0.09 . 1 . . . . 77 VAL CB . 16939 1 198 . 1 1 77 77 VAL CG1 C 13 21.33 0.11 . 2 . . . . 77 VAL CG1 . 16939 1 199 . 1 1 77 77 VAL CG2 C 13 20.40 0.07 . 2 . . . . 77 VAL CG2 . 16939 1 200 . 1 1 77 77 VAL N N 15 123.94 0.12 . 1 . . . . 77 VAL N . 16939 1 201 . 1 1 78 78 ALA C C 13 176.62 0.10 . 1 . . . . 78 ALA C . 16939 1 202 . 1 1 78 78 ALA CA C 13 49.84 0.14 . 1 . . . . 78 ALA CA . 16939 1 203 . 1 1 78 78 ALA CB C 13 24.92 0.12 . 1 . . . . 78 ALA CB . 16939 1 204 . 1 1 78 78 ALA N N 15 130.05 0.13 . 1 . . . . 78 ALA N . 16939 1 205 . 1 1 79 79 GLN C C 13 176.57 0.12 . 1 . . . . 79 GLN C . 16939 1 206 . 1 1 79 79 GLN CA C 13 52.38 0.15 . 1 . . . . 79 GLN CA . 16939 1 207 . 1 1 79 79 GLN CB C 13 32.99 0.11 . 1 . . . . 79 GLN CB . 16939 1 208 . 1 1 79 79 GLN CG C 13 33.02 0.08 . 1 . . . . 79 GLN CG . 16939 1 209 . 1 1 79 79 GLN CD C 13 177.64 0.09 . 1 . . . . 79 GLN CD . 16939 1 210 . 1 1 79 79 GLN N N 15 120.24 0.08 . 1 . . . . 79 GLN N . 16939 1 211 . 1 1 79 79 GLN NE2 N 15 111.31 0.05 . 1 . . . . 79 GLN NE2 . 16939 1 212 . 1 1 80 80 LYS C C 13 176.03 0.13 . 1 . . . . 80 LYS C . 16939 1 213 . 1 1 80 80 LYS CA C 13 60.29 0.11 . 1 . . . . 80 LYS CA . 16939 1 214 . 1 1 80 80 LYS CB C 13 32.51 0.18 . 1 . . . . 80 LYS CB . 16939 1 215 . 1 1 80 80 LYS CG C 13 26.68 0.09 . 1 . . . . 80 LYS CG . 16939 1 216 . 1 1 80 80 LYS CD C 13 31.43 0.11 . 1 . . . . 80 LYS CD . 16939 1 217 . 1 1 80 80 LYS CE C 13 42.30 0.07 . 1 . . . . 80 LYS CE . 16939 1 218 . 1 1 80 80 LYS N N 15 122.97 0.12 . 1 . . . . 80 LYS N . 16939 1 219 . 1 1 80 80 LYS NZ N 15 33.77 0.07 . 1 . . . . 80 LYS NZ . 16939 1 220 . 1 1 81 81 THR C C 13 173.66 0.09 . 1 . . . . 81 THR C . 16939 1 221 . 1 1 81 81 THR CA C 13 60.90 0.14 . 1 . . . . 81 THR CA . 16939 1 222 . 1 1 81 81 THR CB C 13 72.26 0.12 . 1 . . . . 81 THR CB . 16939 1 223 . 1 1 81 81 THR CG2 C 13 22.56 0.12 . 1 . . . . 81 THR CG2 . 16939 1 224 . 1 1 81 81 THR N N 15 113.18 0.19 . 1 . . . . 81 THR N . 16939 1 225 . 1 1 82 82 VAL C C 13 174.55 0.14 . 1 . . . . 82 VAL C . 16939 1 226 . 1 1 82 82 VAL CA C 13 61.41 0.10 . 1 . . . . 82 VAL CA . 16939 1 227 . 1 1 82 82 VAL CB C 13 34.04 0.08 . 1 . . . . 82 VAL CB . 16939 1 228 . 1 1 82 82 VAL CG1 C 13 22.84 0.01 . 2 . . . . 82 VAL CG1 . 16939 1 229 . 1 1 82 82 VAL CG2 C 13 20.46 0.13 . 2 . . . . 82 VAL CG2 . 16939 1 230 . 1 1 82 82 VAL N N 15 126.23 0.18 . 1 . . . . 82 VAL N . 16939 1 231 . 1 1 83 83 GLU C C 13 175.10 0.11 . 1 . . . . 83 GLU C . 16939 1 232 . 1 1 83 83 GLU CA C 13 53.69 0.17 . 1 . . . . 83 GLU CA . 16939 1 233 . 1 1 83 83 GLU CB C 13 32.30 0.03 . 1 . . . . 83 GLU CB . 16939 1 234 . 1 1 83 83 GLU CG C 13 35.02 0.02 . 1 . . . . 83 GLU CG . 16939 1 235 . 1 1 83 83 GLU CD C 13 182.95 0.06 . 1 . . . . 83 GLU CD . 16939 1 236 . 1 1 83 83 GLU N N 15 126.41 0.14 . 1 . . . . 83 GLU N . 16939 1 237 . 1 1 84 84 GLY C C 13 173.55 0.08 . 1 . . . . 84 GLY C . 16939 1 238 . 1 1 84 84 GLY CA C 13 44.96 0.15 . 1 . . . . 84 GLY CA . 16939 1 239 . 1 1 84 84 GLY N N 15 112.43 0.24 . 1 . . . . 84 GLY N . 16939 1 240 . 1 1 85 85 ALA C C 13 179.52 0.18 . 1 . . . . 85 ALA C . 16939 1 241 . 1 1 85 85 ALA CA C 13 53.23 0.11 . 1 . . . . 85 ALA CA . 16939 1 242 . 1 1 85 85 ALA CB C 13 18.53 0.10 . 1 . . . . 85 ALA CB . 16939 1 243 . 1 1 85 85 ALA N N 15 130.86 0.22 . 1 . . . . 85 ALA N . 16939 1 244 . 1 1 86 86 GLY C C 13 173.61 0.15 . 1 . . . . 86 GLY C . 16939 1 245 . 1 1 86 86 GLY CA C 13 46.71 0.11 . 1 . . . . 86 GLY CA . 16939 1 246 . 1 1 86 86 GLY N N 15 111.54 0.15 . 1 . . . . 86 GLY N . 16939 1 247 . 1 1 87 87 SER C C 13 173.51 0.12 . 1 . . . . 87 SER C . 16939 1 248 . 1 1 87 87 SER CA C 13 58.72 0.12 . 1 . . . . 87 SER CA . 16939 1 249 . 1 1 87 87 SER CB C 13 64.79 0.12 . 1 . . . . 87 SER CB . 16939 1 250 . 1 1 87 87 SER N N 15 115.55 0.16 . 1 . . . . 87 SER N . 16939 1 251 . 1 1 88 88 ILE C C 13 175.62 0.13 . 1 . . . . 88 ILE C . 16939 1 252 . 1 1 88 88 ILE CA C 13 59.99 0.14 . 1 . . . . 88 ILE CA . 16939 1 253 . 1 1 88 88 ILE CB C 13 40.42 0.10 . 1 . . . . 88 ILE CB . 16939 1 254 . 1 1 88 88 ILE CG1 C 13 27.38 0.10 . 1 . . . . 88 ILE CG1 . 16939 1 255 . 1 1 88 88 ILE CG2 C 13 17.57 0.07 . 1 . . . . 88 ILE CG2 . 16939 1 256 . 1 1 88 88 ILE CD1 C 13 13.50 0.10 . 1 . . . . 88 ILE CD1 . 16939 1 257 . 1 1 88 88 ILE N N 15 121.37 0.17 . 1 . . . . 88 ILE N . 16939 1 258 . 1 1 89 89 ALA C C 13 176.97 0.12 . 1 . . . . 89 ALA C . 16939 1 259 . 1 1 89 89 ALA CA C 13 54.81 0.10 . 1 . . . . 89 ALA CA . 16939 1 260 . 1 1 89 89 ALA CB C 13 18.72 0.08 . 1 . . . . 89 ALA CB . 16939 1 261 . 1 1 89 89 ALA N N 15 129.3 0.12 . 1 . . . . 89 ALA N . 16939 1 262 . 1 1 90 90 ALA C C 13 174.72 0.11 . 1 . . . . 90 ALA C . 16939 1 263 . 1 1 90 90 ALA CA C 13 51.21 0.13 . 1 . . . . 90 ALA CA . 16939 1 264 . 1 1 90 90 ALA CB C 13 20.99 0.08 . 1 . . . . 90 ALA CB . 16939 1 265 . 1 1 90 90 ALA N N 15 123.11 0.23 . 1 . . . . 90 ALA N . 16939 1 266 . 1 1 91 91 ALA C C 13 175.61 0.07 . 1 . . . . 91 ALA C . 16939 1 267 . 1 1 91 91 ALA CA C 13 49.60 0.13 . 1 . . . . 91 ALA CA . 16939 1 268 . 1 1 91 91 ALA CB C 13 23.08 0.08 . 1 . . . . 91 ALA CB . 16939 1 269 . 1 1 91 91 ALA N N 15 127.54 0.15 . 1 . . . . 91 ALA N . 16939 1 270 . 1 1 92 92 THR C C 13 174.71 0.11 . 1 . . . . 92 THR C . 16939 1 271 . 1 1 92 92 THR CA C 13 60.93 0.12 . 1 . . . . 92 THR CA . 16939 1 272 . 1 1 92 92 THR CB C 13 69.82 0.11 . 1 . . . . 92 THR CB . 16939 1 273 . 1 1 92 92 THR CG2 C 13 21.78 0.13 . 1 . . . . 92 THR CG2 . 16939 1 274 . 1 1 92 92 THR N N 15 125.56 0.19 . 1 . . . . 92 THR N . 16939 1 275 . 1 1 93 93 GLY C C 13 169.98 0.11 . 1 . . . . 93 GLY C . 16939 1 276 . 1 1 93 93 GLY CA C 13 47.35 0.15 . 1 . . . . 93 GLY CA . 16939 1 277 . 1 1 93 93 GLY N N 15 114.66 0.07 . 1 . . . . 93 GLY N . 16939 1 278 . 1 1 94 94 PHE C C 13 173.78 0.12 . 1 . . . . 94 PHE C . 16939 1 279 . 1 1 94 94 PHE CA C 13 54.45 0.12 . 1 . . . . 94 PHE CA . 16939 1 280 . 1 1 94 94 PHE CB C 13 45.66 0.08 . 1 . . . . 94 PHE CB . 16939 1 281 . 1 1 94 94 PHE CG C 13 137.78 0.12 . 1 . . . . 94 PHE CG . 16939 1 282 . 1 1 94 94 PHE CD1 C 13 132.63 0.08 . 3 . . . . 94 PHE CD1 . 16939 1 283 . 1 1 94 94 PHE CD2 C 13 132.63 0.08 . 3 . . . . 94 PHE CD2 . 16939 1 284 . 1 1 94 94 PHE CE1 C 13 129.40 0.10 . 3 . . . . 94 PHE CE1 . 16939 1 285 . 1 1 94 94 PHE CE2 C 13 129.40 0.10 . 3 . . . . 94 PHE CE2 . 16939 1 286 . 1 1 94 94 PHE N N 15 126.36 0.13 . 1 . . . . 94 PHE N . 16939 1 287 . 1 1 95 95 VAL C C 13 171.43 0.14 . 1 . . . . 95 VAL C . 16939 1 288 . 1 1 95 95 VAL CA C 13 61.11 0.18 . 1 . . . . 95 VAL CA . 16939 1 289 . 1 1 95 95 VAL CB C 13 34.79 0.13 . 1 . . . . 95 VAL CB . 16939 1 290 . 1 1 95 95 VAL CG1 C 13 21.99 0.21 . 2 . . . . 95 VAL CG1 . 16939 1 291 . 1 1 95 95 VAL CG2 C 13 20.40 0.08 . 2 . . . . 95 VAL CG2 . 16939 1 292 . 1 1 95 95 VAL N N 15 127.87 0.15 . 1 . . . . 95 VAL N . 16939 1 293 . 1 1 96 96 LYS C C 13 173.02 0.18 . 1 . . . . 96 LYS C . 16939 1 294 . 1 1 96 96 LYS CA C 13 54.90 0.18 . 1 . . . . 96 LYS CA . 16939 1 295 . 1 1 96 96 LYS N N 15 132.99 0.17 . 1 . . . . 96 LYS N . 16939 1 296 . 1 1 97 97 LYS CA C 13 54.14 0.03 . 1 . . . . 97 LYS CA . 16939 1 297 . 1 1 97 97 LYS N N 15 130.26 0.19 . 1 . . . . 97 LYS N . 16939 1 298 . 1 1 105 105 GLU C C 13 174.24 0.10 . 1 . . . . 105 GLU C . 16939 1 299 . 1 1 106 106 GLY C C 13 171.79 0.03 . 1 . . . . 106 GLY C . 16939 1 300 . 1 1 106 106 GLY CA C 13 44.29 0.14 . 1 . . . . 106 GLY CA . 16939 1 301 . 1 1 106 106 GLY N N 15 102.31 0.06 . 1 . . . . 106 GLY N . 16939 1 302 . 1 1 107 107 ALA C C 13 175.28 0.03 . 1 . . . . 107 ALA C . 16939 1 303 . 1 1 107 107 ALA CA C 13 52.03 0.23 . 1 . . . . 107 ALA CA . 16939 1 304 . 1 1 107 107 ALA CB C 13 19.62 0.13 . 1 . . . . 107 ALA CB . 16939 1 305 . 1 1 107 107 ALA N N 15 125.03 0.03 . 1 . . . . 107 ALA N . 16939 1 306 . 1 1 111 111 GLY CA C 13 46.94 0.14 . 1 . . . . 111 GLY CA . 16939 1 307 . 1 1 111 111 GLY N N 15 112.27 0.15 . 1 . . . . 111 GLY N . 16939 1 308 . 1 1 112 112 ILE C C 13 179.50 0.01 . 1 . . . . 112 ILE C . 16939 1 309 . 1 1 112 112 ILE CA C 13 59.28 0.05 . 1 . . . . 112 ILE CA . 16939 1 310 . 1 1 112 112 ILE CB C 13 42.13 0.09 . 1 . . . . 112 ILE CB . 16939 1 311 . 1 1 112 112 ILE CG1 C 13 27.08 0.10 . 1 . . . . 112 ILE CG1 . 16939 1 312 . 1 1 112 112 ILE CG2 C 13 18.09 0.07 . 1 . . . . 112 ILE CG2 . 16939 1 313 . 1 1 112 112 ILE CD1 C 13 15.17 0.10 . 1 . . . . 112 ILE CD1 . 16939 1 314 . 1 1 112 112 ILE N N 15 123.30 0.17 . 1 . . . . 112 ILE N . 16939 1 stop_ save_