################################### # 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 31269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '1D 13C CP' . . . 31269 1 2 '1D 13C DP' . . . 31269 1 3 '1D 15N CP' . . . 31269 1 4 '1D 15N DP' . . . 31269 1 5 '2D 13C-13C DARR 50 ms' . . . 31269 1 6 '3D 13C-13C-13C DARR 50, 500 ms' . . . 31269 1 7 '3D 13C-13C-13C DARR 50, 500 ms' . . . 31269 1 8 '3D 13CA-15N-{13CO}-13CX DARR 50 ms' . . . 31269 1 9 '3D 13CA-15N-13CO' . . . 31269 1 10 '3D 15N-13CO-13CX DARR 50 ms' . . . 31269 1 11 '3D 15N-13CA-13CX DARR 50 ms' . . . 31269 1 12 '2D 15N-{13CA}-13CX DARR 50 ms' . . . 31269 1 13 '2D 15N-13CA' . . . 31269 1 14 '2D 13C-13C DARR 500 ms' . . . 31269 1 15 '2D 13C-13C DARR 125 ms' . . . 31269 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 33 33 THR C C 13 172.234 0.07 . 1 . . . . A 33 THR C . 31269 1 2 . 1 . 1 33 33 THR CA C 13 62.395 0.09 . 1 . . . . A 33 THR CA . 31269 1 3 . 1 . 1 33 33 THR CB C 13 69.155 0.11 . 1 . . . . A 33 THR CB . 31269 1 4 . 1 . 1 33 33 THR CG2 C 13 22.173 0.08 . 1 . . . . A 33 THR CG2 . 31269 1 5 . 1 . 1 33 33 THR N N 15 119.290 0.14 . 1 . . . . A 33 THR N . 31269 1 6 . 1 . 1 34 34 LYS N N 15 131.891 0.20 . 1 . . . . A 34 LYS N . 31269 1 7 . 1 . 1 36 36 GLY C C 13 174.061 0.03 . 1 . . . . A 36 GLY C . 31269 1 8 . 1 . 1 36 36 GLY CA C 13 47.281 0.08 . 1 . . . . A 36 GLY CA . 31269 1 9 . 1 . 1 36 36 GLY N N 15 112.506 0.00 . 1 . . . . A 36 GLY N . 31269 1 10 . 1 . 1 37 37 VAL C C 13 177.782 0.10 . 1 . . . . A 37 VAL C . 31269 1 11 . 1 . 1 37 37 VAL CA C 13 69.036 0.06 . 1 . . . . A 37 VAL CA . 31269 1 12 . 1 . 1 37 37 VAL CB C 13 29.398 0.06 . 1 . . . . A 37 VAL CB . 31269 1 13 . 1 . 1 37 37 VAL CG1 C 13 24.213 0.06 . 1 . . . . A 37 VAL CG1 . 31269 1 14 . 1 . 1 37 37 VAL CG2 C 13 22.414 0.03 . 1 . . . . A 37 VAL CG2 . 31269 1 15 . 1 . 1 37 37 VAL N N 15 118.671 0.06 . 1 . . . . A 37 VAL N . 31269 1 16 . 1 . 1 39 39 TYR C C 13 174.561 0.02 . 1 . . . . A 39 TYR C . 31269 1 17 . 1 . 1 39 39 TYR CA C 13 52.621 0.06 . 1 . . . . A 39 TYR CA . 31269 1 18 . 1 . 1 39 39 TYR CB C 13 39.534 0.11 . 1 . . . . A 39 TYR CB . 31269 1 19 . 1 . 1 39 39 TYR CG C 13 127.249 0.10 . 1 . . . . A 39 TYR CG . 31269 1 20 . 1 . 1 39 39 TYR CE1 C 13 120.084 0.09 . 3 . . . . A 39 TYR CE1 . 31269 1 21 . 1 . 1 39 39 TYR CE2 C 13 118.843 0.00 . 3 . . . . A 39 TYR CE2 . 31269 1 22 . 1 . 1 39 39 TYR CZ C 13 155.961 0.11 . 1 . . . . A 39 TYR CZ . 31269 1 23 . 1 . 1 40 40 VAL C C 13 177.231 0.11 . 1 . . . . A 40 VAL C . 31269 1 24 . 1 . 1 40 40 VAL CA C 13 60.348 0.10 . 1 . . . . A 40 VAL CA . 31269 1 25 . 1 . 1 40 40 VAL CB C 13 34.588 0.07 . 1 . . . . A 40 VAL CB . 31269 1 26 . 1 . 1 40 40 VAL CG1 C 13 21.972 0.06 . 1 . . . . A 40 VAL CG1 . 31269 1 27 . 1 . 1 40 40 VAL CG2 C 13 21.159 0.00 . 1 . . . . A 40 VAL CG2 . 31269 1 28 . 1 . 1 40 40 VAL N N 15 121.819 0.09 . 1 . . . . A 40 VAL N . 31269 1 29 . 1 . 1 41 41 GLY C C 13 174.208 0.04 . 1 . . . . A 41 GLY C . 31269 1 30 . 1 . 1 41 41 GLY CA C 13 48.141 0.17 . 1 . . . . A 41 GLY CA . 31269 1 31 . 1 . 1 41 41 GLY N N 15 118.713 0.17 . 1 . . . . A 41 GLY N . 31269 1 32 . 1 . 1 42 42 SER C C 13 171.178 0.06 . 1 . . . . A 42 SER C . 31269 1 33 . 1 . 1 42 42 SER CA C 13 58.603 0.07 . 1 . . . . A 42 SER CA . 31269 1 34 . 1 . 1 42 42 SER CB C 13 67.404 0.05 . 1 . . . . A 42 SER CB . 31269 1 35 . 1 . 1 42 42 SER N N 15 112.301 0.15 . 1 . . . . A 42 SER N . 31269 1 36 . 1 . 1 43 43 LYS C C 13 175.578 0.00 . 1 . . . . A 43 LYS C . 31269 1 37 . 1 . 1 43 43 LYS CA C 13 54.556 0.09 . 1 . . . . A 43 LYS CA . 31269 1 38 . 1 . 1 43 43 LYS CB C 13 36.750 0.10 . 1 . . . . A 43 LYS CB . 31269 1 39 . 1 . 1 43 43 LYS CG C 13 25.715 0.00 . 1 . . . . A 43 LYS CG . 31269 1 40 . 1 . 1 43 43 LYS CD C 13 31.595 0.00 . 1 . . . . A 43 LYS CD . 31269 1 41 . 1 . 1 43 43 LYS CE C 13 42.483 0.00 . 1 . . . . A 43 LYS CE . 31269 1 42 . 1 . 1 43 43 LYS N N 15 122.385 0.13 . 1 . . . . A 43 LYS N . 31269 1 43 . 1 . 1 44 44 THR C C 13 175.152 0.12 . 1 . . . . A 44 THR C . 31269 1 44 . 1 . 1 44 44 THR CA C 13 59.548 0.09 . 1 . . . . A 44 THR CA . 31269 1 45 . 1 . 1 44 44 THR CB C 13 71.496 0.06 . 1 . . . . A 44 THR CB . 31269 1 46 . 1 . 1 44 44 THR CG2 C 13 22.251 0.07 . 1 . . . . A 44 THR CG2 . 31269 1 47 . 1 . 1 44 44 THR N N 15 113.860 0.05 . 1 . . . . A 44 THR N . 31269 1 48 . 1 . 1 45 45 LYS C C 13 173.640 0.09 . 1 . . . . A 45 LYS C . 31269 1 49 . 1 . 1 45 45 LYS CA C 13 56.185 0.09 . 1 . . . . A 45 LYS CA . 31269 1 50 . 1 . 1 45 45 LYS CB C 13 36.822 0.07 . 1 . . . . A 45 LYS CB . 31269 1 51 . 1 . 1 45 45 LYS CG C 13 26.871 0.06 . 1 . . . . A 45 LYS CG . 31269 1 52 . 1 . 1 45 45 LYS CD C 13 30.830 0.09 . 1 . . . . A 45 LYS CD . 31269 1 53 . 1 . 1 45 45 LYS CE C 13 42.222 0.05 . 1 . . . . A 45 LYS CE . 31269 1 54 . 1 . 1 45 45 LYS N N 15 122.330 0.12 . 1 . . . . A 45 LYS N . 31269 1 55 . 1 . 1 46 46 GLU C C 13 174.779 0.05 . 1 . . . . A 46 GLU C . 31269 1 56 . 1 . 1 46 46 GLU CA C 13 53.927 0.08 . 1 . . . . A 46 GLU CA . 31269 1 57 . 1 . 1 46 46 GLU CB C 13 32.264 0.06 . 1 . . . . A 46 GLU CB . 31269 1 58 . 1 . 1 46 46 GLU CG C 13 34.822 0.11 . 1 . . . . A 46 GLU CG . 31269 1 59 . 1 . 1 46 46 GLU CD C 13 182.864 0.07 . 1 . . . . A 46 GLU CD . 31269 1 60 . 1 . 1 46 46 GLU N N 15 126.223 0.09 . 1 . . . . A 46 GLU N . 31269 1 61 . 1 . 1 47 47 GLY C C 13 172.620 0.06 . 1 . . . . A 47 GLY C . 31269 1 62 . 1 . 1 47 47 GLY CA C 13 48.471 0.07 . 1 . . . . A 47 GLY CA . 31269 1 63 . 1 . 1 47 47 GLY N N 15 115.632 0.11 . 1 . . . . A 47 GLY N . 31269 1 64 . 1 . 1 48 48 VAL C C 13 174.545 0.12 . 1 . . . . A 48 VAL C . 31269 1 65 . 1 . 1 48 48 VAL CA C 13 59.517 0.07 . 1 . . . . A 48 VAL CA . 31269 1 66 . 1 . 1 48 48 VAL CB C 13 37.739 0.07 . 1 . . . . A 48 VAL CB . 31269 1 67 . 1 . 1 48 48 VAL CG1 C 13 23.980 0.07 . 1 . . . . A 48 VAL CG1 . 31269 1 68 . 1 . 1 48 48 VAL CG2 C 13 20.657 0.08 . 1 . . . . A 48 VAL CG2 . 31269 1 69 . 1 . 1 48 48 VAL N N 15 118.512 0.10 . 1 . . . . A 48 VAL N . 31269 1 70 . 1 . 1 49 49 VAL C C 13 173.442 0.02 . 1 . . . . A 49 VAL C . 31269 1 71 . 1 . 1 49 49 VAL CA C 13 61.475 0.11 . 1 . . . . A 49 VAL CA . 31269 1 72 . 1 . 1 49 49 VAL CB C 13 34.137 0.14 . 1 . . . . A 49 VAL CB . 31269 1 73 . 1 . 1 49 49 VAL CG1 C 13 22.423 0.00 . 1 . . . . A 49 VAL CG1 . 31269 1 74 . 1 . 1 49 49 VAL CG2 C 13 20.310 0.00 . 1 . . . . A 49 VAL CG2 . 31269 1 75 . 1 . 1 49 49 VAL N N 15 126.435 0.10 . 1 . . . . A 49 VAL N . 31269 1 76 . 1 . 1 50 50 HIS CA C 13 53.863 0.04 . 1 . . . . A 50 HIS CA . 31269 1 77 . 1 . 1 50 50 HIS CB C 13 34.743 0.15 . 1 . . . . A 50 HIS CB . 31269 1 78 . 1 . 1 50 50 HIS CD2 C 13 116.394 0.13 . 1 . . . . A 50 HIS CD2 . 31269 1 79 . 1 . 1 50 50 HIS CE1 C 13 137.737 0.10 . 1 . . . . A 50 HIS CE1 . 31269 1 80 . 1 . 1 50 50 HIS N N 15 126.127 0.08 . 1 . . . . A 50 HIS N . 31269 1 81 . 1 . 1 51 51 GLY C C 13 170.651 0.00 . 1 . . . . A 51 GLY C . 31269 1 82 . 1 . 1 51 51 GLY CA C 13 45.002 0.05 . 1 . . . . A 51 GLY CA . 31269 1 83 . 1 . 1 51 51 GLY N N 15 108.711 0.00 . 1 . . . . A 51 GLY N . 31269 1 84 . 1 . 1 52 52 VAL C C 13 174.579 0.08 . 1 . . . . A 52 VAL C . 31269 1 85 . 1 . 1 52 52 VAL CA C 13 61.018 0.10 . 1 . . . . A 52 VAL CA . 31269 1 86 . 1 . 1 52 52 VAL CB C 13 33.376 0.10 . 1 . . . . A 52 VAL CB . 31269 1 87 . 1 . 1 52 52 VAL CG1 C 13 22.781 0.00 . 1 . . . . A 52 VAL CG1 . 31269 1 88 . 1 . 1 52 52 VAL CG2 C 13 20.849 0.11 . 1 . . . . A 52 VAL CG2 . 31269 1 89 . 1 . 1 52 52 VAL N N 15 126.082 0.11 . 1 . . . . A 52 VAL N . 31269 1 90 . 1 . 1 53 53 ALA C C 13 175.390 0.12 . 1 . . . . A 53 ALA C . 31269 1 91 . 1 . 1 53 53 ALA CA C 13 49.943 0.06 . 1 . . . . A 53 ALA CA . 31269 1 92 . 1 . 1 53 53 ALA CB C 13 21.262 0.16 . 1 . . . . A 53 ALA CB . 31269 1 93 . 1 . 1 53 53 ALA N N 15 132.710 0.08 . 1 . . . . A 53 ALA N . 31269 1 94 . 1 . 1 54 54 THR C C 13 173.107 0.11 . 1 . . . . A 54 THR C . 31269 1 95 . 1 . 1 54 54 THR CA C 13 61.570 0.06 . 1 . . . . A 54 THR CA . 31269 1 96 . 1 . 1 54 54 THR CB C 13 71.376 0.11 . 1 . . . . A 54 THR CB . 31269 1 97 . 1 . 1 54 54 THR CG2 C 13 21.933 0.11 . 1 . . . . A 54 THR CG2 . 31269 1 98 . 1 . 1 54 54 THR N N 15 121.248 0.13 . 1 . . . . A 54 THR N . 31269 1 99 . 1 . 1 55 55 VAL C C 13 175.608 0.02 . 1 . . . . A 55 VAL C . 31269 1 100 . 1 . 1 55 55 VAL CA C 13 61.270 0.04 . 1 . . . . A 55 VAL CA . 31269 1 101 . 1 . 1 55 55 VAL CB C 13 33.836 0.00 . 1 . . . . A 55 VAL CB . 31269 1 102 . 1 . 1 55 55 VAL CG1 C 13 21.759 0.00 . 1 . . . . A 55 VAL CG1 . 31269 1 103 . 1 . 1 55 55 VAL CG2 C 13 19.778 0.04 . 1 . . . . A 55 VAL CG2 . 31269 1 104 . 1 . 1 55 55 VAL N N 15 126.819 0.00 . 1 . . . . A 55 VAL N . 31269 1 105 . 1 . 1 56 56 ALA CA C 13 50.576 0.09 . 1 . . . . A 56 ALA CA . 31269 1 106 . 1 . 1 56 56 ALA CB C 13 22.624 0.00 . 1 . . . . A 56 ALA CB . 31269 1 107 . 1 . 1 56 56 ALA N N 15 131.995 0.14 . 1 . . . . A 56 ALA N . 31269 1 108 . 1 . 1 57 57 GLU C C 13 175.150 0.04 . 1 . . . . A 57 GLU C . 31269 1 109 . 1 . 1 57 57 GLU CB C 13 32.816 0.00 . 1 . . . . A 57 GLU CB . 31269 1 110 . 1 . 1 57 57 GLU CG C 13 36.001 0.14 . 1 . . . . A 57 GLU CG . 31269 1 111 . 1 . 1 57 57 GLU CD C 13 183.591 0.06 . 1 . . . . A 57 GLU CD . 31269 1 112 . 1 . 1 57 57 GLU N N 15 130.118 0.09 . 1 . . . . A 57 GLU N . 31269 1 113 . 1 . 1 58 58 LYS C C 13 176.253 0.08 . 1 . . . . A 58 LYS C . 31269 1 114 . 1 . 1 58 58 LYS CA C 13 53.650 0.13 . 1 . . . . A 58 LYS CA . 31269 1 115 . 1 . 1 58 58 LYS CB C 13 36.274 0.12 . 1 . . . . A 58 LYS CB . 31269 1 116 . 1 . 1 58 58 LYS CG C 13 25.825 0.11 . 1 . . . . A 58 LYS CG . 31269 1 117 . 1 . 1 58 58 LYS CD C 13 30.116 0.06 . 1 . . . . A 58 LYS CD . 31269 1 118 . 1 . 1 58 58 LYS CE C 13 41.910 0.12 . 1 . . . . A 58 LYS CE . 31269 1 119 . 1 . 1 58 58 LYS N N 15 123.368 0.10 . 1 . . . . A 58 LYS N . 31269 1 120 . 1 . 1 58 58 LYS NZ N 15 34.094 0.02 . 1 . . . . A 58 LYS NZ . 31269 1 121 . 1 . 1 59 59 THR C C 13 174.058 0.11 . 1 . . . . A 59 THR C . 31269 1 122 . 1 . 1 59 59 THR CA C 13 67.145 0.10 . 1 . . . . A 59 THR CA . 31269 1 123 . 1 . 1 59 59 THR CB C 13 67.184 0.06 . 1 . . . . A 59 THR CB . 31269 1 124 . 1 . 1 59 59 THR CG2 C 13 22.696 0.05 . 1 . . . . A 59 THR CG2 . 31269 1 125 . 1 . 1 59 59 THR N N 15 122.586 0.13 . 1 . . . . A 59 THR N . 31269 1 126 . 1 . 1 60 60 LYS C C 13 173.264 0.08 . 1 . . . . A 60 LYS C . 31269 1 127 . 1 . 1 60 60 LYS CA C 13 55.661 0.12 . 1 . . . . A 60 LYS CA . 31269 1 128 . 1 . 1 60 60 LYS CB C 13 35.454 0.12 . 1 . . . . A 60 LYS CB . 31269 1 129 . 1 . 1 60 60 LYS CG C 13 25.976 0.11 . 1 . . . . A 60 LYS CG . 31269 1 130 . 1 . 1 60 60 LYS CD C 13 33.656 0.05 . 1 . . . . A 60 LYS CD . 31269 1 131 . 1 . 1 60 60 LYS CE C 13 42.028 0.06 . 1 . . . . A 60 LYS CE . 31269 1 132 . 1 . 1 60 60 LYS N N 15 121.917 0.15 . 1 . . . . A 60 LYS N . 31269 1 133 . 1 . 1 60 60 LYS NZ N 15 34.200 0.00 . 1 . . . . A 60 LYS NZ . 31269 1 134 . 1 . 1 61 61 GLU C C 13 174.602 0.08 . 1 . . . . A 61 GLU C . 31269 1 135 . 1 . 1 61 61 GLU CA C 13 54.231 0.10 . 1 . . . . A 61 GLU CA . 31269 1 136 . 1 . 1 61 61 GLU CB C 13 33.477 0.06 . 1 . . . . A 61 GLU CB . 31269 1 137 . 1 . 1 61 61 GLU CG C 13 35.236 0.10 . 1 . . . . A 61 GLU CG . 31269 1 138 . 1 . 1 61 61 GLU CD C 13 182.731 0.06 . 1 . . . . A 61 GLU CD . 31269 1 139 . 1 . 1 61 61 GLU N N 15 128.233 0.15 . 1 . . . . A 61 GLU N . 31269 1 140 . 1 . 1 62 62 GLN C C 13 175.120 0.00 . 1 . . . . A 62 GLN C . 31269 1 141 . 1 . 1 62 62 GLN CA C 13 54.567 0.01 . 1 . . . . A 62 GLN CA . 31269 1 142 . 1 . 1 62 62 GLN CD C 13 179.544 0.00 . 1 . . . . A 62 GLN CD . 31269 1 143 . 1 . 1 62 62 GLN N N 15 124.037 0.03 . 1 . . . . A 62 GLN N . 31269 1 144 . 1 . 1 63 63 VAL C C 13 174.780 0.11 . 1 . . . . A 63 VAL C . 31269 1 145 . 1 . 1 63 63 VAL CA C 13 61.096 0.10 . 1 . . . . A 63 VAL CA . 31269 1 146 . 1 . 1 63 63 VAL CB C 13 35.300 0.07 . 1 . . . . A 63 VAL CB . 31269 1 147 . 1 . 1 63 63 VAL CG1 C 13 20.957 0.04 . 1 . . . . A 63 VAL CG1 . 31269 1 148 . 1 . 1 63 63 VAL CG2 C 13 20.270 0.01 . 1 . . . . A 63 VAL CG2 . 31269 1 149 . 1 . 1 63 63 VAL N N 15 129.353 0.12 . 1 . . . . A 63 VAL N . 31269 1 150 . 1 . 1 64 64 THR C C 13 172.475 0.09 . 1 . . . . A 64 THR C . 31269 1 151 . 1 . 1 64 64 THR CA C 13 62.184 0.09 . 1 . . . . A 64 THR CA . 31269 1 152 . 1 . 1 64 64 THR CB C 13 69.551 0.10 . 1 . . . . A 64 THR CB . 31269 1 153 . 1 . 1 64 64 THR CG2 C 13 21.433 0.14 . 1 . . . . A 64 THR CG2 . 31269 1 154 . 1 . 1 64 64 THR N N 15 126.415 0.11 . 1 . . . . A 64 THR N . 31269 1 155 . 1 . 1 65 65 ASN C C 13 172.582 0.06 . 1 . . . . A 65 ASN C . 31269 1 156 . 1 . 1 65 65 ASN CA C 13 51.710 0.09 . 1 . . . . A 65 ASN CA . 31269 1 157 . 1 . 1 65 65 ASN CB C 13 43.272 0.05 . 1 . . . . A 65 ASN CB . 31269 1 158 . 1 . 1 65 65 ASN CG C 13 174.696 0.16 . 1 . . . . A 65 ASN CG . 31269 1 159 . 1 . 1 65 65 ASN N N 15 125.237 0.08 . 1 . . . . A 65 ASN N . 31269 1 160 . 1 . 1 66 66 VAL C C 13 177.660 0.11 . 1 . . . . A 66 VAL C . 31269 1 161 . 1 . 1 66 66 VAL CA C 13 60.644 0.13 . 1 . . . . A 66 VAL CA . 31269 1 162 . 1 . 1 66 66 VAL CB C 13 33.136 0.14 . 1 . . . . A 66 VAL CB . 31269 1 163 . 1 . 1 66 66 VAL CG1 C 13 21.197 0.10 . 1 . . . . A 66 VAL CG1 . 31269 1 164 . 1 . 1 66 66 VAL CG2 C 13 20.491 0.00 . 1 . . . . A 66 VAL CG2 . 31269 1 165 . 1 . 1 66 66 VAL N N 15 127.173 0.12 . 1 . . . . A 66 VAL N . 31269 1 166 . 1 . 1 67 67 GLY C C 13 172.322 0.04 . 1 . . . . A 67 GLY C . 31269 1 167 . 1 . 1 67 67 GLY CA C 13 46.598 0.08 . 1 . . . . A 67 GLY CA . 31269 1 168 . 1 . 1 67 67 GLY N N 15 111.265 0.16 . 1 . . . . A 67 GLY N . 31269 1 169 . 1 . 1 68 68 GLY C C 13 172.180 0.08 . 1 . . . . A 68 GLY C . 31269 1 170 . 1 . 1 68 68 GLY CA C 13 43.399 0.06 . 1 . . . . A 68 GLY CA . 31269 1 171 . 1 . 1 68 68 GLY N N 15 102.595 0.09 . 1 . . . . A 68 GLY N . 31269 1 172 . 1 . 1 69 69 ALA C C 13 175.233 0.08 . 1 . . . . A 69 ALA C . 31269 1 173 . 1 . 1 69 69 ALA CA C 13 50.322 0.06 . 1 . . . . A 69 ALA CA . 31269 1 174 . 1 . 1 69 69 ALA CB C 13 23.351 0.10 . 1 . . . . A 69 ALA CB . 31269 1 175 . 1 . 1 69 69 ALA N N 15 126.479 0.05 . 1 . . . . A 69 ALA N . 31269 1 176 . 1 . 1 70 70 VAL C C 13 174.529 0.05 . 1 . . . . A 70 VAL C . 31269 1 177 . 1 . 1 70 70 VAL CA C 13 59.990 0.07 . 1 . . . . A 70 VAL CA . 31269 1 178 . 1 . 1 70 70 VAL CB C 13 35.719 0.13 . 1 . . . . A 70 VAL CB . 31269 1 179 . 1 . 1 70 70 VAL CG1 C 13 23.288 0.01 . 1 . . . . A 70 VAL CG1 . 31269 1 180 . 1 . 1 70 70 VAL CG2 C 13 21.439 0.11 . 1 . . . . A 70 VAL CG2 . 31269 1 181 . 1 . 1 70 70 VAL N N 15 120.641 0.09 . 1 . . . . A 70 VAL N . 31269 1 182 . 1 . 1 71 71 VAL C C 13 176.305 0.05 . 1 . . . . A 71 VAL C . 31269 1 183 . 1 . 1 71 71 VAL CA C 13 61.014 0.06 . 1 . . . . A 71 VAL CA . 31269 1 184 . 1 . 1 71 71 VAL CB C 13 35.231 0.11 . 1 . . . . A 71 VAL CB . 31269 1 185 . 1 . 1 71 71 VAL CG1 C 13 22.076 0.09 . 1 . . . . A 71 VAL CG1 . 31269 1 186 . 1 . 1 71 71 VAL CG2 C 13 20.767 0.06 . 1 . . . . A 71 VAL CG2 . 31269 1 187 . 1 . 1 71 71 VAL N N 15 126.245 0.12 . 1 . . . . A 71 VAL N . 31269 1 188 . 1 . 1 72 72 THR C C 13 175.146 0.06 . 1 . . . . A 72 THR C . 31269 1 189 . 1 . 1 72 72 THR CA C 13 59.416 0.06 . 1 . . . . A 72 THR CA . 31269 1 190 . 1 . 1 72 72 THR CB C 13 69.495 0.07 . 1 . . . . A 72 THR CB . 31269 1 191 . 1 . 1 72 72 THR CG2 C 13 22.123 0.05 . 1 . . . . A 72 THR CG2 . 31269 1 192 . 1 . 1 72 72 THR N N 15 114.966 0.07 . 1 . . . . A 72 THR N . 31269 1 193 . 1 . 1 73 73 GLY C C 13 173.358 0.09 . 1 . . . . A 73 GLY C . 31269 1 194 . 1 . 1 73 73 GLY CA C 13 43.914 0.08 . 1 . . . . A 73 GLY CA . 31269 1 195 . 1 . 1 73 73 GLY N N 15 108.839 0.15 . 1 . . . . A 73 GLY N . 31269 1 196 . 1 . 1 74 74 VAL C C 13 175.028 0.07 . 1 . . . . A 74 VAL C . 31269 1 197 . 1 . 1 74 74 VAL CA C 13 61.390 0.11 . 1 . . . . A 74 VAL CA . 31269 1 198 . 1 . 1 74 74 VAL CB C 13 34.883 0.07 . 1 . . . . A 74 VAL CB . 31269 1 199 . 1 . 1 74 74 VAL CG1 C 13 21.109 0.13 . 1 . . . . A 74 VAL CG1 . 31269 1 200 . 1 . 1 74 74 VAL CG2 C 13 19.580 0.07 . 1 . . . . A 74 VAL CG2 . 31269 1 201 . 1 . 1 74 74 VAL N N 15 124.304 0.08 . 1 . . . . A 74 VAL N . 31269 1 202 . 1 . 1 75 75 THR C C 13 171.940 0.04 . 1 . . . . A 75 THR C . 31269 1 203 . 1 . 1 75 75 THR CA C 13 61.793 0.09 . 1 . . . . A 75 THR CA . 31269 1 204 . 1 . 1 75 75 THR CB C 13 70.376 0.06 . 1 . . . . A 75 THR CB . 31269 1 205 . 1 . 1 75 75 THR CG2 C 13 21.332 0.04 . 1 . . . . A 75 THR CG2 . 31269 1 206 . 1 . 1 75 75 THR N N 15 127.774 0.05 . 1 . . . . A 75 THR N . 31269 1 207 . 1 . 1 76 76 ALA C C 13 174.166 0.06 . 1 . . . . A 76 ALA C . 31269 1 208 . 1 . 1 76 76 ALA CA C 13 49.741 0.05 . 1 . . . . A 76 ALA CA . 31269 1 209 . 1 . 1 76 76 ALA CB C 13 21.332 0.03 . 1 . . . . A 76 ALA CB . 31269 1 210 . 1 . 1 76 76 ALA N N 15 130.336 0.05 . 1 . . . . A 76 ALA N . 31269 1 211 . 1 . 1 77 77 VAL C C 13 172.784 0.05 . 1 . . . . A 77 VAL C . 31269 1 212 . 1 . 1 77 77 VAL CA C 13 60.540 0.09 . 1 . . . . A 77 VAL CA . 31269 1 213 . 1 . 1 77 77 VAL CB C 13 35.901 0.06 . 1 . . . . A 77 VAL CB . 31269 1 214 . 1 . 1 77 77 VAL CG1 C 13 21.287 0.08 . 1 . . . . A 77 VAL CG1 . 31269 1 215 . 1 . 1 77 77 VAL CG2 C 13 20.361 0.05 . 1 . . . . A 77 VAL CG2 . 31269 1 216 . 1 . 1 77 77 VAL N N 15 123.954 0.08 . 1 . . . . A 77 VAL N . 31269 1 217 . 1 . 1 78 78 ALA C C 13 176.154 0.05 . 1 . . . . A 78 ALA C . 31269 1 218 . 1 . 1 78 78 ALA CA C 13 49.929 0.06 . 1 . . . . A 78 ALA CA . 31269 1 219 . 1 . 1 78 78 ALA CB C 13 25.029 0.05 . 1 . . . . A 78 ALA CB . 31269 1 220 . 1 . 1 78 78 ALA N N 15 129.967 0.07 . 1 . . . . A 78 ALA N . 31269 1 221 . 1 . 1 79 79 GLN C C 13 176.349 0.08 . 1 . . . . A 79 GLN C . 31269 1 222 . 1 . 1 79 79 GLN CA C 13 52.417 0.04 . 1 . . . . A 79 GLN CA . 31269 1 223 . 1 . 1 79 79 GLN CB C 13 32.890 0.07 . 1 . . . . A 79 GLN CB . 31269 1 224 . 1 . 1 79 79 GLN CG C 13 31.436 0.07 . 1 . . . . A 79 GLN CG . 31269 1 225 . 1 . 1 79 79 GLN CD C 13 177.587 0.09 . 1 . . . . A 79 GLN CD . 31269 1 226 . 1 . 1 79 79 GLN N N 15 120.191 0.05 . 1 . . . . A 79 GLN N . 31269 1 227 . 1 . 1 80 80 LYS C C 13 175.878 0.07 . 1 . . . . A 80 LYS C . 31269 1 228 . 1 . 1 80 80 LYS CA C 13 60.321 0.05 . 1 . . . . A 80 LYS CA . 31269 1 229 . 1 . 1 80 80 LYS CB C 13 32.490 0.12 . 1 . . . . A 80 LYS CB . 31269 1 230 . 1 . 1 80 80 LYS CG C 13 26.614 0.09 . 1 . . . . A 80 LYS CG . 31269 1 231 . 1 . 1 80 80 LYS CD C 13 31.397 0.05 . 1 . . . . A 80 LYS CD . 31269 1 232 . 1 . 1 80 80 LYS CE C 13 42.174 0.07 . 1 . . . . A 80 LYS CE . 31269 1 233 . 1 . 1 80 80 LYS N N 15 123.019 0.03 . 1 . . . . A 80 LYS N . 31269 1 234 . 1 . 1 80 80 LYS NZ N 15 33.586 0.11 . 1 . . . . A 80 LYS NZ . 31269 1 235 . 1 . 1 81 81 THR C C 13 173.538 0.04 . 1 . . . . A 81 THR C . 31269 1 236 . 1 . 1 81 81 THR CA C 13 60.947 0.09 . 1 . . . . A 81 THR CA . 31269 1 237 . 1 . 1 81 81 THR CB C 13 72.146 0.09 . 1 . . . . A 81 THR CB . 31269 1 238 . 1 . 1 81 81 THR CG2 C 13 22.535 0.04 . 1 . . . . A 81 THR CG2 . 31269 1 239 . 1 . 1 81 81 THR N N 15 113.158 0.09 . 1 . . . . A 81 THR N . 31269 1 240 . 1 . 1 82 82 VAL C C 13 174.674 0.04 . 1 . . . . A 82 VAL C . 31269 1 241 . 1 . 1 82 82 VAL CA C 13 61.487 0.09 . 1 . . . . A 82 VAL CA . 31269 1 242 . 1 . 1 82 82 VAL CB C 13 34.051 0.06 . 1 . . . . A 82 VAL CB . 31269 1 243 . 1 . 1 82 82 VAL CG1 C 13 20.677 0.08 . 2 . . . . A 82 VAL CG1 . 31269 1 244 . 1 . 1 82 82 VAL CG2 C 13 20.144 0.03 . 2 . . . . A 82 VAL CG2 . 31269 1 245 . 1 . 1 82 82 VAL N N 15 126.016 0.08 . 1 . . . . A 82 VAL N . 31269 1 246 . 1 . 1 83 83 GLU C C 13 174.945 0.12 . 1 . . . . A 83 GLU C . 31269 1 247 . 1 . 1 83 83 GLU CA C 13 53.631 0.10 . 1 . . . . A 83 GLU CA . 31269 1 248 . 1 . 1 83 83 GLU CB C 13 33.913 0.07 . 1 . . . . A 83 GLU CB . 31269 1 249 . 1 . 1 83 83 GLU CG C 13 35.993 0.11 . 1 . . . . A 83 GLU CG . 31269 1 250 . 1 . 1 83 83 GLU CD C 13 182.956 0.12 . 1 . . . . A 83 GLU CD . 31269 1 251 . 1 . 1 83 83 GLU N N 15 126.132 0.09 . 1 . . . . A 83 GLU N . 31269 1 252 . 1 . 1 84 84 GLY C C 13 173.361 0.07 . 1 . . . . A 84 GLY C . 31269 1 253 . 1 . 1 84 84 GLY CA C 13 45.046 0.06 . 1 . . . . A 84 GLY CA . 31269 1 254 . 1 . 1 84 84 GLY N N 15 112.847 0.10 . 1 . . . . A 84 GLY N . 31269 1 255 . 1 . 1 85 85 ALA C C 13 179.113 0.15 . 1 . . . . A 85 ALA C . 31269 1 256 . 1 . 1 85 85 ALA CA C 13 53.324 0.06 . 1 . . . . A 85 ALA CA . 31269 1 257 . 1 . 1 85 85 ALA CB C 13 18.446 0.04 . 1 . . . . A 85 ALA CB . 31269 1 258 . 1 . 1 85 85 ALA N N 15 131.127 0.09 . 1 . . . . A 85 ALA N . 31269 1 259 . 1 . 1 86 86 GLY C C 13 173.629 0.08 . 1 . . . . A 86 GLY C . 31269 1 260 . 1 . 1 86 86 GLY CA C 13 46.770 0.06 . 1 . . . . A 86 GLY CA . 31269 1 261 . 1 . 1 86 86 GLY N N 15 110.825 0.09 . 1 . . . . A 86 GLY N . 31269 1 262 . 1 . 1 87 87 SER C C 13 173.371 0.05 . 1 . . . . A 87 SER C . 31269 1 263 . 1 . 1 87 87 SER CA C 13 58.740 0.06 . 1 . . . . A 87 SER CA . 31269 1 264 . 1 . 1 87 87 SER CB C 13 64.720 0.08 . 1 . . . . A 87 SER CB . 31269 1 265 . 1 . 1 87 87 SER N N 15 115.638 0.09 . 1 . . . . A 87 SER N . 31269 1 266 . 1 . 1 88 88 ILE C C 13 175.451 0.07 . 1 . . . . A 88 ILE C . 31269 1 267 . 1 . 1 88 88 ILE CA C 13 60.018 0.06 . 1 . . . . A 88 ILE CA . 31269 1 268 . 1 . 1 88 88 ILE CB C 13 40.425 0.08 . 1 . . . . A 88 ILE CB . 31269 1 269 . 1 . 1 88 88 ILE CG1 C 13 27.361 0.04 . 1 . . . . A 88 ILE CG1 . 31269 1 270 . 1 . 1 88 88 ILE CG2 C 13 17.550 0.07 . 1 . . . . A 88 ILE CG2 . 31269 1 271 . 1 . 1 88 88 ILE CD1 C 13 13.564 0.08 . 1 . . . . A 88 ILE CD1 . 31269 1 272 . 1 . 1 88 88 ILE N N 15 121.388 0.05 . 1 . . . . A 88 ILE N . 31269 1 273 . 1 . 1 89 89 ALA C C 13 176.817 0.05 . 1 . . . . A 89 ALA C . 31269 1 274 . 1 . 1 89 89 ALA CA C 13 54.838 0.07 . 1 . . . . A 89 ALA CA . 31269 1 275 . 1 . 1 89 89 ALA CB C 13 18.715 0.06 . 1 . . . . A 89 ALA CB . 31269 1 276 . 1 . 1 89 89 ALA N N 15 129.353 0.05 . 1 . . . . A 89 ALA N . 31269 1 277 . 1 . 1 90 90 ALA C C 13 174.519 0.03 . 1 . . . . A 90 ALA C . 31269 1 278 . 1 . 1 90 90 ALA CA C 13 51.273 0.06 . 1 . . . . A 90 ALA CA . 31269 1 279 . 1 . 1 90 90 ALA CB C 13 20.993 0.07 . 1 . . . . A 90 ALA CB . 31269 1 280 . 1 . 1 90 90 ALA N N 15 123.206 0.08 . 1 . . . . A 90 ALA N . 31269 1 281 . 1 . 1 91 91 ALA C C 13 175.423 0.05 . 1 . . . . A 91 ALA C . 31269 1 282 . 1 . 1 91 91 ALA CA C 13 49.611 0.10 . 1 . . . . A 91 ALA CA . 31269 1 283 . 1 . 1 91 91 ALA CB C 13 23.080 0.11 . 1 . . . . A 91 ALA CB . 31269 1 284 . 1 . 1 91 91 ALA N N 15 127.460 0.09 . 1 . . . . A 91 ALA N . 31269 1 285 . 1 . 1 92 92 THR C C 13 174.484 0.06 . 1 . . . . A 92 THR C . 31269 1 286 . 1 . 1 92 92 THR CA C 13 60.976 0.05 . 1 . . . . A 92 THR CA . 31269 1 287 . 1 . 1 92 92 THR CB C 13 69.805 0.11 . 1 . . . . A 92 THR CB . 31269 1 288 . 1 . 1 92 92 THR CG2 C 13 21.878 0.05 . 1 . . . . A 92 THR CG2 . 31269 1 289 . 1 . 1 92 92 THR N N 15 125.552 0.10 . 1 . . . . A 92 THR N . 31269 1 290 . 1 . 1 93 93 GLY C C 13 169.911 0.07 . 1 . . . . A 93 GLY C . 31269 1 291 . 1 . 1 93 93 GLY CA C 13 47.439 0.06 . 1 . . . . A 93 GLY CA . 31269 1 292 . 1 . 1 93 93 GLY N N 15 114.660 0.06 . 1 . . . . A 93 GLY N . 31269 1 293 . 1 . 1 94 94 PHE C C 13 173.618 0.04 . 1 . . . . A 94 PHE C . 31269 1 294 . 1 . 1 94 94 PHE CA C 13 54.445 0.09 . 1 . . . . A 94 PHE CA . 31269 1 295 . 1 . 1 94 94 PHE CB C 13 45.759 0.09 . 1 . . . . A 94 PHE CB . 31269 1 296 . 1 . 1 94 94 PHE CG C 13 137.869 0.06 . 1 . . . . A 94 PHE CG . 31269 1 297 . 1 . 1 94 94 PHE CD1 C 13 132.206 0.07 . 3 . . . . A 94 PHE CD1 . 31269 1 298 . 1 . 1 94 94 PHE CD2 C 13 132.244 0.15 . 3 . . . . A 94 PHE CD2 . 31269 1 299 . 1 . 1 94 94 PHE CE1 C 13 131.142 0.00 . 3 . . . . A 94 PHE CE1 . 31269 1 300 . 1 . 1 94 94 PHE CE2 C 13 130.705 0.11 . 3 . . . . A 94 PHE CE2 . 31269 1 301 . 1 . 1 94 94 PHE CZ C 13 129.316 0.10 . 1 . . . . A 94 PHE CZ . 31269 1 302 . 1 . 1 94 94 PHE N N 15 126.426 0.07 . 1 . . . . A 94 PHE N . 31269 1 303 . 1 . 1 95 95 VAL C C 13 171.269 0.05 . 1 . . . . A 95 VAL C . 31269 1 304 . 1 . 1 95 95 VAL CA C 13 61.133 0.08 . 1 . . . . A 95 VAL CA . 31269 1 305 . 1 . 1 95 95 VAL CB C 13 34.846 0.06 . 1 . . . . A 95 VAL CB . 31269 1 306 . 1 . 1 95 95 VAL CG1 C 13 22.242 0.03 . 1 . . . . A 95 VAL CG1 . 31269 1 307 . 1 . 1 95 95 VAL CG2 C 13 20.497 0.07 . 1 . . . . A 95 VAL CG2 . 31269 1 308 . 1 . 1 95 95 VAL N N 15 127.909 0.08 . 1 . . . . A 95 VAL N . 31269 1 309 . 1 . 1 96 96 LYS C C 13 173.017 0.11 . 1 . . . . A 96 LYS C . 31269 1 310 . 1 . 1 96 96 LYS CA C 13 54.925 0.09 . 1 . . . . A 96 LYS CA . 31269 1 311 . 1 . 1 96 96 LYS CB C 13 38.086 0.09 . 1 . . . . A 96 LYS CB . 31269 1 312 . 1 . 1 96 96 LYS CG C 13 25.679 0.14 . 1 . . . . A 96 LYS CG . 31269 1 313 . 1 . 1 96 96 LYS CD C 13 31.104 0.07 . 1 . . . . A 96 LYS CD . 31269 1 314 . 1 . 1 96 96 LYS CE C 13 41.806 0.11 . 1 . . . . A 96 LYS CE . 31269 1 315 . 1 . 1 96 96 LYS N N 15 133.046 0.05 . 1 . . . . A 96 LYS N . 31269 1 316 . 1 . 1 96 96 LYS NZ N 15 29.306 0.10 . 1 . . . . A 96 LYS NZ . 31269 1 317 . 1 . 1 97 97 LYS C C 13 175.006 0.00 . 1 . . . . A 97 LYS C . 31269 1 318 . 1 . 1 97 97 LYS CA C 13 54.081 0.06 . 1 . . . . A 97 LYS CA . 31269 1 319 . 1 . 1 97 97 LYS CB C 13 35.401 0.00 . 1 . . . . A 97 LYS CB . 31269 1 320 . 1 . 1 97 97 LYS CG C 13 25.436 0.00 . 1 . . . . A 97 LYS CG . 31269 1 321 . 1 . 1 97 97 LYS CD C 13 32.194 0.00 . 1 . . . . A 97 LYS CD . 31269 1 322 . 1 . 1 97 97 LYS CE C 13 41.936 0.00 . 1 . . . . A 97 LYS CE . 31269 1 323 . 1 . 1 97 97 LYS N N 15 129.900 0.20 . 1 . . . . A 97 LYS N . 31269 1 324 . 1 . 1 98 98 ASP CA C 13 52.666 0.07 . 1 . . . . A 98 ASP CA . 31269 1 325 . 1 . 1 98 98 ASP CB C 13 39.539 0.08 . 1 . . . . A 98 ASP CB . 31269 1 326 . 1 . 1 98 98 ASP N N 15 125.183 0.00 . 1 . . . . A 98 ASP N . 31269 1 stop_ save_