################################### # 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 53470 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'EcMscL WT 13C detected' _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 13C/13C PDSD' . . . 53470 1 2 '2D NCA' . . . 53470 1 3 '2D NCO' . . . 53470 1 4 '3D NCACO' . . . 53470 1 5 '3D NCOCA' . . . 53470 1 6 '3D NCACX' . . . 53470 1 7 '3D NCACB' . . . 53470 1 8 '3D CONCA' . . . 53470 1 9 '3D HCOCACB' . . . 53470 1 10 '3D CANCOCA' . . . 53470 1 11 '3D NCOCACB' . . . 53470 1 12 '3D NCOCX' . . . 53470 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 . . 53470 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 20 20 ALA CA C 13 55.58 . . . . . . . . 20 Ala CA . 53470 1 2 . 1 . 1 21 21 VAL C C 13 178.048 . . . . . . . . 21 Val CO . 53470 1 3 . 1 . 1 21 21 VAL CA C 13 67.1983 . . . . . . . . 21 Val CA . 53470 1 4 . 1 . 1 21 21 VAL CB C 13 31.407 . . . . . . . . 21 Val CB . 53470 1 5 . 1 . 1 21 21 VAL N N 15 119.633 . . . . . . . . 21 Val N . 53470 1 6 . 1 . 1 22 22 GLY CA C 13 47.8436 . . . . . . . . 22 Gly CA . 53470 1 7 . 1 . 1 22 22 GLY N N 15 106.688 . . . . . . . . 22 Gly N . 53470 1 8 . 1 . 1 23 23 VAL CA C 13 66.381 . . . . . . . . 23 Val CA . 53470 1 9 . 1 . 1 26 26 GLY CA C 13 47.1309 . . . . . . . . 26 Gly CA . 53470 1 10 . 1 . 1 27 27 ALA CA C 13 54.5006 . . . . . . . . 27 Ala CA . 53470 1 11 . 1 . 1 33 33 VAL C C 13 177.264 . . . . . . . . 33 Val CO . 53470 1 12 . 1 . 1 33 33 VAL CA C 13 67.0065 . . . . . . . . 33 Val CA . 53470 1 13 . 1 . 1 33 33 VAL CB C 13 31.2697 . . . . . . . . 33 Val CB . 53470 1 14 . 1 . 1 33 33 VAL N N 15 119.702 . . . . . . . . 33 Val N . 53470 1 15 . 1 . 1 34 34 SER CA C 13 62.4876 . . . . . . . . 34 Ser CA . 53470 1 16 . 1 . 1 34 34 SER CB C 13 62.45 . . . . . . . . 34 Ser CB . 53470 1 17 . 1 . 1 34 34 SER N N 15 113.994 . . . . . . . . 34 Ser N . 53470 1 18 . 1 . 1 35 35 SER CA C 13 59.5401 . . . . . . . . 35 Ser CA . 53470 1 19 . 1 . 1 35 35 SER N N 15 113.999 . . . . . . . . 35 Ser N . 53470 1 20 . 1 . 1 37 37 VAL CA C 13 67.0382 . . . . . . . . 37 Val CA . 53470 1 21 . 1 . 1 38 38 ALA CA C 13 55.4019 . . . . . . . . 38 Ala CA . 53470 1 22 . 1 . 1 43 43 PRO CA C 13 67.0022 . . . . . . . . 43 Pro CA . 53470 1 23 . 1 . 1 43 43 PRO CB C 13 29.637 . . . . . . . . 43 Pro CB . 53470 1 24 . 1 . 1 43 43 PRO CG C 13 27.4136 . . . . . . . . 43 Pro CG . 53470 1 25 . 1 . 1 43 43 PRO CD C 13 50.2171 . . . . . . . . 43 Pro CD . 53470 1 26 . 1 . 1 44 44 PRO CA C 13 65.7797 . . . . . . . . 44 Pro CA . 53470 1 27 . 1 . 1 44 44 PRO CB C 13 30.7698 . . . . . . . . 44 Pro CB . 53470 1 28 . 1 . 1 44 44 PRO CG C 13 28.402 . . . . . . . . 44 Pro CG . 53470 1 29 . 1 . 1 44 44 PRO CD C 13 51.1705 . . . . . . . . 44 Pro CD . 53470 1 30 . 1 . 1 44 44 PRO N N 15 132.51 . . . . . . . . 44 Pro N . 53470 1 31 . 1 . 1 45 45 LEU CA C 13 58.335 . . . . . . . . 45 Leu CA . 53470 1 32 . 1 . 1 46 46 GLY CA C 13 47.245 . . . . . . . . 46 Gly CA . 53470 1 33 . 1 . 1 57 57 PHE C C 13 174.238 . . . . . . . . 57 Phe CO . 53470 1 34 . 1 . 1 57 57 PHE CA C 13 58.1965 . . . . . . . . 57 Phe CA . 53470 1 35 . 1 . 1 57 57 PHE CB C 13 38.286 . . . . . . . . 57 Phe CB . 53470 1 36 . 1 . 1 58 58 ALA C C 13 175.437 . . . . . . . . 58 Ala CO . 53470 1 37 . 1 . 1 58 58 ALA CA C 13 51.7073 . . . . . . . . 58 Ala CA . 53470 1 38 . 1 . 1 58 58 ALA CB C 13 23.032 . . . . . . . . 58 Ala CB . 53470 1 39 . 1 . 1 58 58 ALA N N 15 129.468 . . . . . . . . 58 Ala N . 53470 1 40 . 1 . 1 59 59 VAL C C 13 173.737 . . . . . . . . 59 Val CO . 53470 1 41 . 1 . 1 59 59 VAL CA C 13 59.7036 . . . . . . . . 59 Val CA . 53470 1 42 . 1 . 1 59 59 VAL CB C 13 35.6563 . . . . . . . . 59 Val CB . 53470 1 43 . 1 . 1 59 59 VAL CG1 C 13 22.0033 . . . . . . . . 59 Val CG1 . 53470 1 44 . 1 . 1 59 59 VAL N N 15 116.608 . . . . . . . . 59 Val N . 53470 1 45 . 1 . 1 60 60 THR C C 13 173.663 . . . . . . . . 60 Thr CO . 53470 1 46 . 1 . 1 60 60 THR CA C 13 63.4583 . . . . . . . . 60 Thr CA . 53470 1 47 . 1 . 1 60 60 THR CB C 13 68.2939 . . . . . . . . 60 Thr CB . 53470 1 48 . 1 . 1 60 60 THR CG2 C 13 22.2065 . . . . . . . . 60 Thr CG2 . 53470 1 49 . 1 . 1 60 60 THR N N 15 127.08 . . . . . . . . 60 Thr N . 53470 1 50 . 1 . 1 61 61 LEU C C 13 175.81 . . . . . . . . 61 Leu CO . 53470 1 51 . 1 . 1 61 61 LEU CA C 13 55.3151 . . . . . . . . 61 Leu CA . 53470 1 52 . 1 . 1 61 61 LEU CB C 13 42.7415 . . . . . . . . 61 Leu CB . 53470 1 53 . 1 . 1 61 61 LEU CG C 13 27.2037 . . . . . . . . 61 Leu CG . 53470 1 54 . 1 . 1 61 61 LEU CD1 C 13 26.2357 . . . . . . . . 61 Leu CD1 . 53470 1 55 . 1 . 1 61 61 LEU CD2 C 13 22.851 . . . . . . . . 61 Leu CD2 . 53470 1 56 . 1 . 1 61 61 LEU N N 15 126.987 . . . . . . . . 61 Leu N . 53470 1 57 . 1 . 1 62 62 ARG C C 13 174.404 . . . . . . . . 62 Arg CO . 53470 1 58 . 1 . 1 62 62 ARG CA C 13 56.1113 . . . . . . . . 62 Arg CA . 53470 1 59 . 1 . 1 62 62 ARG CB C 13 34.0984 . . . . . . . . 62 Arg CB . 53470 1 60 . 1 . 1 62 62 ARG N N 15 116.895 . . . . . . . . 62 Arg N . 53470 1 61 . 1 . 1 63 63 ASP C C 13 177.049 . . . . . . . . 63 Asp CO . 53470 1 62 . 1 . 1 63 63 ASP CA C 13 54.6686 . . . . . . . . 63 Asp CA . 53470 1 63 . 1 . 1 63 63 ASP CB C 13 41.2893 . . . . . . . . 63 Asp CB . 53470 1 64 . 1 . 1 63 63 ASP CG C 13 179.526 . . . . . . . . 63 Asp CG . 53470 1 65 . 1 . 1 63 63 ASP N N 15 126.936 . . . . . . . . 63 Asp N . 53470 1 66 . 1 . 1 64 64 ALA C C 13 177.4 . . . . . . . . 64 Ala CO . 53470 1 67 . 1 . 1 64 64 ALA CA C 13 53.038 . . . . . . . . 64 Ala CA . 53470 1 68 . 1 . 1 64 64 ALA CB C 13 19.3187 . . . . . . . . 64 Ala CB . 53470 1 69 . 1 . 1 64 64 ALA N N 15 124.049 . . . . . . . . 64 Ala N . 53470 1 70 . 1 . 1 65 65 GLN CA C 13 54.1328 . . . . . . . . 65 Gln CA . 53470 1 71 . 1 . 1 65 65 GLN CB C 13 30.6058 . . . . . . . . 65 Gln CB . 53470 1 72 . 1 . 1 65 65 GLN CG C 13 33.0882 . . . . . . . . 65 Gln CG . 53470 1 73 . 1 . 1 65 65 GLN N N 15 121.31 . . . . . . . . 65 Gln N . 53470 1 74 . 1 . 1 66 66 GLY C C 13 175.185 . . . . . . . . 66 Gly CO . 53470 1 75 . 1 . 1 66 66 GLY CA C 13 47.0853 . . . . . . . . 66 Gly CA . 53470 1 76 . 1 . 1 67 67 ASP C C 13 175.822 . . . . . . . . 67 Asp CO . 53470 1 77 . 1 . 1 67 67 ASP CA C 13 54.538 . . . . . . . . 67 Asp CA . 53470 1 78 . 1 . 1 67 67 ASP CB C 13 40.7796 . . . . . . . . 67 Asp CB . 53470 1 79 . 1 . 1 67 67 ASP CG C 13 180.525 . . . . . . . . 67 Asp CG . 53470 1 80 . 1 . 1 67 67 ASP N N 15 127.202 . . . . . . . . 67 Asp N . 53470 1 81 . 1 . 1 68 68 ILE C C 13 174.452 . . . . . . . . 68 Ile CO . 53470 1 82 . 1 . 1 68 68 ILE CA C 13 58.609 . . . . . . . . 68 Ile CA . 53470 1 83 . 1 . 1 68 68 ILE CB C 13 37.6049 . . . . . . . . 68 Ile CB . 53470 1 84 . 1 . 1 68 68 ILE CG1 C 13 27.3276 . . . . . . . . 68 Ile CG1 . 53470 1 85 . 1 . 1 68 68 ILE CG2 C 13 16.8513 . . . . . . . . 68 Ile CG2 . 53470 1 86 . 1 . 1 68 68 ILE CD1 C 13 12.2597 . . . . . . . . 68 Ile CD1 . 53470 1 87 . 1 . 1 68 68 ILE N N 15 124.97 . . . . . . . . 68 Ile N . 53470 1 88 . 1 . 1 69 69 PRO C C 13 177.291 . . . . . . . . 69 Pro CO . 53470 1 89 . 1 . 1 69 69 PRO CA C 13 62.1598 . . . . . . . . 69 Pro CA . 53470 1 90 . 1 . 1 69 69 PRO CB C 13 32.9142 . . . . . . . . 69 Pro CB . 53470 1 91 . 1 . 1 69 69 PRO CG C 13 27.2173 . . . . . . . . 69 Pro CG . 53470 1 92 . 1 . 1 69 69 PRO CD C 13 51.2099 . . . . . . . . 69 Pro CD . 53470 1 93 . 1 . 1 69 69 PRO N N 15 138.285 . . . . . . . . 69 Pro N . 53470 1 94 . 1 . 1 70 70 ALA C C 13 177.495 . . . . . . . . 70 Ala CO . 53470 1 95 . 1 . 1 70 70 ALA CA C 13 52.2619 . . . . . . . . 70 Ala CA . 53470 1 96 . 1 . 1 70 70 ALA CB C 13 19.5317 . . . . . . . . 70 Ala CB . 53470 1 97 . 1 . 1 70 70 ALA N N 15 122.695 . . . . . . . . 70 Ala N . 53470 1 98 . 1 . 1 71 71 VAL C C 13 174.953 . . . . . . . . 71 Val CO . 53470 1 99 . 1 . 1 71 71 VAL CA C 13 62.4625 . . . . . . . . 71 Val CA . 53470 1 100 . 1 . 1 71 71 VAL CB C 13 32.526 . . . . . . . . 71 Val CB . 53470 1 101 . 1 . 1 71 71 VAL CG1 C 13 22.3023 . . . . . . . . 71 Val CG1 . 53470 1 102 . 1 . 1 71 71 VAL CG2 C 13 20.5107 . . . . . . . . 71 Val CG2 . 53470 1 103 . 1 . 1 71 71 VAL N N 15 123.255 . . . . . . . . 71 Val N . 53470 1 104 . 1 . 1 72 72 VAL C C 13 174.037 . . . . . . . . 72 Val CO . 53470 1 105 . 1 . 1 72 72 VAL CA C 13 60.6888 . . . . . . . . 72 Val CA . 53470 1 106 . 1 . 1 72 72 VAL CB C 13 35.7539 . . . . . . . . 72 Val CB . 53470 1 107 . 1 . 1 72 72 VAL CG1 C 13 20.9478 . . . . . . . . 72 Val CG1 . 53470 1 108 . 1 . 1 72 72 VAL N N 15 129.213 . . . . . . . . 72 Val N . 53470 1 109 . 1 . 1 73 73 MET CA C 13 54.2939 . . . . . . . . 73 Met CA . 53470 1 110 . 1 . 1 73 73 MET CB C 13 35.1237 . . . . . . . . 73 Met CB . 53470 1 111 . 1 . 1 73 73 MET N N 15 123.974 . . . . . . . . 73 Met N . 53470 1 112 . 1 . 1 74 74 HIS CA C 13 56.0995 . . . . . . . . 74 His CA . 53470 1 113 . 1 . 1 75 75 TYR C C 13 176.79 . . . . . . . . 75 Tyr CO . 53470 1 114 . 1 . 1 75 75 TYR CA C 13 59.842 . . . . . . . . 75 Tyr CA . 53470 1 115 . 1 . 1 75 75 TYR CB C 13 38.318 . . . . . . . . 75 Tyr CB . 53470 1 116 . 1 . 1 75 75 TYR N N 15 118.154 . . . . . . . . 75 Tyr N . 53470 1 117 . 1 . 1 76 76 GLY C C 13 175.663 . . . . . . . . 76 Gly CO . 53470 1 118 . 1 . 1 76 76 GLY CA C 13 47.686 . . . . . . . . 76 Gly CA . 53470 1 119 . 1 . 1 76 76 GLY N N 15 111.607 . . . . . . . . 76 Gly N . 53470 1 120 . 1 . 1 77 77 VAL C C 13 177.716 . . . . . . . . 77 Val CO . 53470 1 121 . 1 . 1 77 77 VAL CA C 13 66.6056 . . . . . . . . 77 Val CA . 53470 1 122 . 1 . 1 77 77 VAL CB C 13 31.7693 . . . . . . . . 77 Val CB . 53470 1 123 . 1 . 1 77 77 VAL CG1 C 13 23.074 . . . . . . . . 77 Val CG1 . 53470 1 124 . 1 . 1 77 77 VAL CG2 C 13 21.702 . . . . . . . . 77 Val CG2 . 53470 1 125 . 1 . 1 77 77 VAL N N 15 122.383 . . . . . . . . 77 Val N . 53470 1 126 . 1 . 1 78 78 PHE C C 13 176.837 . . . . . . . . 78 Phe CO . 53470 1 127 . 1 . 1 78 78 PHE CA C 13 61.8022 . . . . . . . . 78 Phe CA . 53470 1 128 . 1 . 1 78 78 PHE CB C 13 38.286 . . . . . . . . 78 Phe CB . 53470 1 129 . 1 . 1 78 78 PHE N N 15 119.275 . . . . . . . . 78 Phe N . 53470 1 130 . 1 . 1 79 79 ILE C C 13 177.338 . . . . . . . . 79 Ile CO . 53470 1 131 . 1 . 1 79 79 ILE CA C 13 65.161 . . . . . . . . 79 Ile CA . 53470 1 132 . 1 . 1 79 79 ILE CB C 13 37.1823 . . . . . . . . 79 Ile CB . 53470 1 133 . 1 . 1 79 79 ILE CG1 C 13 30.5938 . . . . . . . . 79 Ile CG1 . 53470 1 134 . 1 . 1 79 79 ILE CG2 C 13 17.644 . . . . . . . . 79 Ile CG2 . 53470 1 135 . 1 . 1 79 79 ILE CD1 C 13 14.484 . . . . . . . . 79 Ile CD1 . 53470 1 136 . 1 . 1 79 79 ILE N N 15 117.577 . . . . . . . . 79 Ile N . 53470 1 137 . 1 . 1 80 80 GLN C C 13 177.513 . . . . . . . . 80 Gln CO . 53470 1 138 . 1 . 1 80 80 GLN CA C 13 59.0604 . . . . . . . . 80 Gln CA . 53470 1 139 . 1 . 1 80 80 GLN N N 15 119.285 . . . . . . . . 80 Gln N . 53470 1 140 . 1 . 1 81 81 ASN CA C 13 56.1103 . . . . . . . . 81 Asn CA . 53470 1 141 . 1 . 1 81 81 ASN CB C 13 37.503 . . . . . . . . 81 Asn CB . 53470 1 142 . 1 . 1 81 81 ASN N N 15 116.349 . . . . . . . . 81 Asn N . 53470 1 143 . 1 . 1 82 82 VAL CA C 13 67.136 . . . . . . . . 82 Val CA . 53470 1 144 . 1 . 1 113 113 PRO C C 13 176.373 . . . . . . . . 113 Pro CO . 53470 1 145 . 1 . 1 113 113 PRO CA C 13 62.6865 . . . . . . . . 113 Pro CA . 53470 1 146 . 1 . 1 113 113 PRO CG C 13 27.4073 . . . . . . . . 113 Pro CG . 53470 1 147 . 1 . 1 114 114 ALA C C 13 175.498 . . . . . . . . 114 Ala CO . 53470 1 148 . 1 . 1 114 114 ALA CA C 13 50.0559 . . . . . . . . 114 Ala CA . 53470 1 149 . 1 . 1 114 114 ALA CB C 13 17.888 . . . . . . . . 114 Ala CB . 53470 1 150 . 1 . 1 114 114 ALA N N 15 126.186 . . . . . . . . 114 Ala N . 53470 1 151 . 1 . 1 115 115 PRO C C 13 177.544 . . . . . . . . 115 Pro CO . 53470 1 152 . 1 . 1 115 115 PRO CA C 13 62.5781 . . . . . . . . 115 Pro CA . 53470 1 153 . 1 . 1 115 115 PRO CB C 13 32.1869 . . . . . . . . 115 Pro CB . 53470 1 154 . 1 . 1 115 115 PRO CG C 13 27.4073 . . . . . . . . 115 Pro CG . 53470 1 155 . 1 . 1 115 115 PRO CD C 13 50.3593 . . . . . . . . 115 Pro CD . 53470 1 156 . 1 . 1 115 115 PRO N N 15 136.232 . . . . . . . . 115 Pro N . 53470 1 157 . 1 . 1 116 116 THR C C 13 175.293 . . . . . . . . 116 Thr CO . 53470 1 158 . 1 . 1 116 116 THR CA C 13 60.8941 . . . . . . . . 116 Thr CA . 53470 1 159 . 1 . 1 116 116 THR CB C 13 70.6838 . . . . . . . . 116 Thr CB . 53470 1 160 . 1 . 1 116 116 THR CG2 C 13 22.255 . . . . . . . . 116 Thr CG2 . 53470 1 161 . 1 . 1 116 116 THR N N 15 114.439 . . . . . . . . 116 Thr N . 53470 1 162 . 1 . 1 117 117 LYS C C 13 180.154 . . . . . . . . 117 Lys CO . 53470 1 163 . 1 . 1 117 117 LYS CA C 13 59.1759 . . . . . . . . 117 Lys CA . 53470 1 164 . 1 . 1 117 117 LYS CB C 13 31.6332 . . . . . . . . 117 Lys CB . 53470 1 165 . 1 . 1 117 117 LYS CG C 13 25.0677 . . . . . . . . 117 Lys CG . 53470 1 166 . 1 . 1 117 117 LYS CD C 13 28.4431 . . . . . . . . 117 Lys CD . 53470 1 167 . 1 . 1 117 117 LYS N N 15 120.576 . . . . . . . . 117 Lys N . 53470 1 168 . 1 . 1 118 118 GLU C C 13 177.699 . . . . . . . . 118 Glu CO . 53470 1 169 . 1 . 1 118 118 GLU CA C 13 61.4975 . . . . . . . . 118 Glu CA . 53470 1 170 . 1 . 1 118 118 GLU CB C 13 28.2815 . . . . . . . . 118 Glu CB . 53470 1 171 . 1 . 1 118 118 GLU CG C 13 37.355 . . . . . . . . 118 Glu CG . 53470 1 172 . 1 . 1 118 118 GLU N N 15 118.4 . . . . . . . . 118 Glu N . 53470 1 173 . 1 . 1 119 119 GLU C C 13 179.788 . . . . . . . . 119 Glu CO . 53470 1 174 . 1 . 1 119 119 GLU CA C 13 60.0016 . . . . . . . . 119 Glu CA . 53470 1 175 . 1 . 1 119 119 GLU CB C 13 29.4967 . . . . . . . . 119 Glu CB . 53470 1 176 . 1 . 1 119 119 GLU N N 15 120.874 . . . . . . . . 119 Glu N . 53470 1 177 . 1 . 1 120 120 VAL C C 13 179.343 . . . . . . . . 120 Val CO . 53470 1 178 . 1 . 1 120 120 VAL CA C 13 67.1171 . . . . . . . . 120 Val CA . 53470 1 179 . 1 . 1 120 120 VAL CB C 13 31.781 . . . . . . . . 120 Val CB . 53470 1 180 . 1 . 1 120 120 VAL CG1 C 13 22.772 . . . . . . . . 120 Val CG1 . 53470 1 181 . 1 . 1 120 120 VAL CG2 C 13 21.197 . . . . . . . . 120 Val CG2 . 53470 1 182 . 1 . 1 120 120 VAL N N 15 122.431 . . . . . . . . 120 Val N . 53470 1 183 . 1 . 1 121 121 LEU C C 13 179.221 . . . . . . . . 121 Leu CO . 53470 1 184 . 1 . 1 121 121 LEU CA C 13 58.2372 . . . . . . . . 121 Leu CA . 53470 1 185 . 1 . 1 121 121 LEU CB C 13 43.5005 . . . . . . . . 121 Leu CB . 53470 1 186 . 1 . 1 121 121 LEU N N 15 121.421 . . . . . . . . 121 Leu N . 53470 1 187 . 1 . 1 122 122 LEU C C 13 178.649 . . . . . . . . 122 Leu CO . 53470 1 188 . 1 . 1 122 122 LEU CA C 13 57.9632 . . . . . . . . 122 Leu CA . 53470 1 189 . 1 . 1 122 122 LEU CB C 13 43.528 . . . . . . . . 122 Leu CB . 53470 1 190 . 1 . 1 122 122 LEU N N 15 117.98 . . . . . . . . 122 Leu N . 53470 1 191 . 1 . 1 123 123 THR C C 13 174.853 . . . . . . . . 123 Thr CO . 53470 1 192 . 1 . 1 123 123 THR CA C 13 67.4779 . . . . . . . . 123 Thr CA . 53470 1 193 . 1 . 1 123 123 THR CB C 13 68.5458 . . . . . . . . 123 Thr CB . 53470 1 194 . 1 . 1 123 123 THR CG2 C 13 21.1589 . . . . . . . . 123 Thr CG2 . 53470 1 195 . 1 . 1 123 123 THR N N 15 117.008 . . . . . . . . 123 Thr N . 53470 1 196 . 1 . 1 124 124 GLU C C 13 179.703 . . . . . . . . 124 Glu CO . 53470 1 197 . 1 . 1 124 124 GLU CA C 13 59.9993 . . . . . . . . 124 Glu CA . 53470 1 198 . 1 . 1 124 124 GLU CB C 13 29.8734 . . . . . . . . 124 Glu CB . 53470 1 199 . 1 . 1 124 124 GLU CG C 13 32.139 . . . . . . . . 124 Glu CG . 53470 1 200 . 1 . 1 124 124 GLU CD C 13 183.235 . . . . . . . . 124 Glu CD . 53470 1 201 . 1 . 1 124 124 GLU N N 15 121.881 . . . . . . . . 124 Glu N . 53470 1 202 . 1 . 1 125 125 ILE C C 13 176.34 . . . . . . . . 125 Ile CO . 53470 1 203 . 1 . 1 125 125 ILE CA C 13 66.2729 . . . . . . . . 125 Ile CA . 53470 1 204 . 1 . 1 125 125 ILE CB C 13 38.2351 . . . . . . . . 125 Ile CB . 53470 1 205 . 1 . 1 125 125 ILE CG1 C 13 30.5938 . . . . . . . . 125 Ile CG1 . 53470 1 206 . 1 . 1 125 125 ILE CG2 C 13 15.7079 . . . . . . . . 125 Ile CG2 . 53470 1 207 . 1 . 1 125 125 ILE CD1 C 13 14.484 . . . . . . . . 125 Ile CD1 . 53470 1 208 . 1 . 1 125 125 ILE N N 15 120.147 . . . . . . . . 125 Ile N . 53470 1 209 . 1 . 1 126 126 ARG CA C 13 60.533 . . . . . . . . 126 Arg CA . 53470 1 210 . 1 . 1 126 126 ARG CB C 13 27.555 . . . . . . . . 126 Arg CB . 53470 1 211 . 1 . 1 126 126 ARG N N 15 120.402 . . . . . . . . 126 Arg N . 53470 1 212 . 1 . 1 127 127 ASP CA C 13 57.8565 . . . . . . . . 127 Asp CA . 53470 1 213 . 1 . 1 127 127 ASP N N 15 119.839 . . . . . . . . 127 Asp N . 53470 1 stop_ save_