################################### # 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 27572 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 'FID resolution. On specific cases, line-broadening effects' _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 NH' . . . 27572 1 2 '2D CH' . . . 27572 1 3 '2D CC' . . . 27572 1 6 '3D HN(CO)CA' . . . 27572 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 2 $SPARKY . . 27572 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.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 1 1 ILE H H 1 8.05 0.03 . 1 . . . . . 1 ILE H . 27572 1 2 . 1 1 1 1 ILE HA H 1 4.59 0.03 . 1 . . . . . 1 ILE HA . 27572 1 3 . 1 1 1 1 ILE C C 13 170.6 0.3 . 1 . . . . . 1 ILE C . 27572 1 4 . 1 1 1 1 ILE CA C 13 61.12 0.3 . 1 . . . . . 1 ILE CA . 27572 1 5 . 1 1 1 1 ILE CB C 13 35.68 0.3 . 1 . . . . . 1 ILE CB . 27572 1 6 . 1 1 1 1 ILE CG1 C 13 26.56 0.3 . 1 . . . . . 1 ILE CG1 . 27572 1 7 . 1 1 1 1 ILE CG2 C 13 16.8 0.3 . 1 . . . . . 1 ILE CG2 . 27572 1 8 . 1 1 1 1 ILE CD1 C 13 13.83 0.3 . 1 . . . . . 1 ILE CD1 . 27572 1 9 . 1 1 1 1 ILE N N 15 39.8 0.5 . 1 . . . . . 1 ILE N . 27572 1 10 . 1 1 2 2 DBU H H 1 12.85 0.03 . 1 . . . . . 2 DHB H . 27572 1 11 . 1 1 2 2 DBU C C 13 166.9 0.3 . 1 . . . . . 2 DHB C . 27572 1 12 . 1 1 2 2 DBU CA C 13 131.1 0.3 . 1 . . . . . 2 DHB CA . 27572 1 13 . 1 1 2 2 DBU CB C 13 134.5 0.3 . 1 . . . . . 2 DHB CB . 27572 1 14 . 1 1 2 2 DBU CG C 13 16.03 0.3 . 1 . . . . . 2 DHB CG . 27572 1 15 . 1 1 2 2 DBU N N 15 136.6 0.5 . 1 . . . . . 2 DHB N . 27572 1 16 . 1 1 3 3 DAL H H 1 7.65 0.03 . 1 . . . . . 3 DALA H . 27572 1 17 . 1 1 3 3 DAL HA H 1 5.8 0.03 . 1 . . . . . 3 DALA HA . 27572 1 18 . 1 1 3 3 DAL C C 13 174.2 0.3 . 1 . . . . . 3 DALA C . 27572 1 19 . 1 1 3 3 DAL CA C 13 56.13 0.3 . 1 . . . . . 3 DALA CA . 27572 1 20 . 1 1 3 3 DAL CB C 13 37.2 0.3 . 1 . . . . . 3 DALA CB . 27572 1 21 . 1 1 3 3 DAL N N 15 113.5 0.5 . 1 . . . . . 3 DALA N . 27572 1 22 . 1 1 4 4 ILE H H 1 8.83 0.03 . 1 . . . . . 4 ILE H . 27572 1 23 . 1 1 4 4 ILE HA H 1 4.16 0.03 . 1 . . . . . 4 ILE HA . 27572 1 24 . 1 1 4 4 ILE C C 13 174.3 0.3 . 1 . . . . . 4 ILE C . 27572 1 25 . 1 1 4 4 ILE CA C 13 63.3 0.3 . 1 . . . . . 4 ILE CA . 27572 1 26 . 1 1 4 4 ILE CB C 13 38.34 0.3 . 1 . . . . . 4 ILE CB . 27572 1 27 . 1 1 4 4 ILE CG1 C 13 27.65 0.3 . 1 . . . . . 4 ILE CG1 . 27572 1 28 . 1 1 4 4 ILE CG2 C 13 18.16 0.3 . 1 . . . . . 4 ILE CG2 . 27572 1 29 . 1 1 4 4 ILE CD1 C 13 12.67 0.3 . 1 . . . . . 4 ILE CD1 . 27572 1 30 . 1 1 4 4 ILE N N 15 119.1 0.5 . 1 . . . . . 4 ILE N . 27572 1 31 . 1 1 5 5 DHA H H 1 8.28 0.03 . 1 . . . . . 5 DHA H . 27572 1 32 . 1 1 5 5 DHA C C 13 167.3 0.3 . 1 . . . . . 5 DHA C . 27572 1 33 . 1 1 5 5 DHA CA C 13 134.6 0.3 . 1 . . . . . 5 DHA CA . 27572 1 34 . 1 1 5 5 DHA CB C 13 107.8 0.3 . 1 . . . . . 5 DHA CB . 27572 1 35 . 1 1 5 5 DHA N N 15 120.73 0.5 . 1 . . . . . 5 DHA N . 27572 1 36 . 1 1 6 6 LEU H H 1 10.85 0.03 . 1 . . . . . 6 LEU H . 27572 1 37 . 1 1 6 6 LEU HA H 1 4.15 0.15 . 1 . . . . . 6 LEU HA . 27572 1 38 . 1 1 6 6 LEU C C 13 175.8 0.3 . 1 . . . . . 6 LEU C . 27572 1 39 . 1 1 6 6 LEU CA C 13 55.01 0.3 . 1 . . . . . 6 LEU CA . 27572 1 40 . 1 1 6 6 LEU CB C 13 38.68 0.3 . 1 . . . . . 6 LEU CB . 27572 1 41 . 1 1 6 6 LEU CG C 13 27.2 0.3 . 1 . . . . . 6 LEU CG . 27572 1 42 . 1 1 6 6 LEU CD1 C 13 26.37 0.3 . 2 . . . . . 6 LEU CD1 . 27572 1 43 . 1 1 6 6 LEU CD2 C 13 24.11 0.3 . 2 . . . . . 6 LEU CD2 . 27572 1 44 . 1 1 6 6 LEU N N 15 116.7 0.5 . 1 . . . . . 6 LEU N . 27572 1 45 . 1 1 7 7 CYS H H 1 7.95 0.03 . 1 . . . . . 7 ALAS H . 27572 1 46 . 1 1 7 7 CYS HA H 1 5.43 0.03 . 1 . . . . . 7 ALAS HA . 27572 1 47 . 1 1 7 7 CYS C C 13 172.9 0.3 . 1 . . . . . 7 ALAS C . 27572 1 48 . 1 1 7 7 CYS CA C 13 53.9 0.3 . 1 . . . . . 7 ALAS CA . 27572 1 49 . 1 1 7 7 CYS CB C 13 38.63 0.3 . 1 . . . . . 7 ALAS CB . 27572 1 50 . 1 1 7 7 CYS N N 15 116.5 0.5 . 1 . . . . . 7 ALAS N . 27572 1 51 . 1 1 8 8 ABU H H 1 9.55 0.03 . 1 . . . . . 8 ABU H . 27572 1 52 . 1 1 8 8 ABU HA H 1 5.05 0.03 . 1 . . . . . 8 ABU HA . 27572 1 53 . 1 1 8 8 ABU C C 13 175.6 0.3 . 1 . . . . . 8 ABU C . 27572 1 54 . 1 1 8 8 ABU CA C 13 59 0.3 . 1 . . . . . 8 ABU CA . 27572 1 55 . 1 1 8 8 ABU CB C 13 49.1 0.3 . 1 . . . . . 8 ABU CB . 27572 1 56 . 1 1 8 8 ABU CG C 13 24 0.3 . 1 . . . . . 8 ABU CG . 27572 1 57 . 1 1 8 8 ABU N N 15 104.5 0.5 . 1 . . . . . 8 ABU N . 27572 1 58 . 1 1 9 9 PRO HA H 1 4.61 0.03 . 1 . . . . . 9 PRO HA . 27572 1 59 . 1 1 9 9 PRO C C 13 177.3 0.3 . 1 . . . . . 9 PRO C . 27572 1 60 . 1 1 9 9 PRO CA C 13 66.61 0.3 . 1 . . . . . 9 PRO CA . 27572 1 61 . 1 1 9 9 PRO CB C 13 31.66 0.3 . 1 . . . . . 9 PRO CB . 27572 1 62 . 1 1 9 9 PRO CG C 13 27.58 0.3 . 1 . . . . . 9 PRO CG . 27572 1 63 . 1 1 9 9 PRO CD C 13 50.75 0.3 . 1 . . . . . 9 PRO CD . 27572 1 64 . 1 1 9 9 PRO N N 15 138.3 0.5 . 1 . . . . . 9 PRO N . 27572 1 65 . 1 1 10 10 GLY H H 1 9.49 0.03 . 1 . . . . . 10 GLY H . 27572 1 66 . 1 1 10 10 GLY HA2 H 1 4.25 0.25 . 2 . . . . . 10 GLY HA2 . 27572 1 67 . 1 1 10 10 GLY HA3 H 1 4.25 0.25 . 2 . . . . . 10 GLY HA3 . 27572 1 68 . 1 1 10 10 GLY C C 13 171.6 0.3 . 1 . . . . . 10 GLY C . 27572 1 69 . 1 1 10 10 GLY CA C 13 44.7 0.3 . 1 . . . . . 10 GLY CA . 27572 1 70 . 1 1 10 10 GLY N N 15 104.6 0.5 . 1 . . . . . 10 GLY N . 27572 1 71 . 1 1 11 11 CYS H H 1 7.05 0.03 . 1 . . . . . 11 ALAS H . 27572 1 72 . 1 1 11 11 CYS HA H 1 4.15 0.03 . 1 . . . . . 11 ALAS HA . 27572 1 73 . 1 1 11 11 CYS C C 13 177.5 0.3 . 1 . . . . . 11 ALAS C . 27572 1 74 . 1 1 11 11 CYS CA C 13 55.1 0.3 . 1 . . . . . 11 ALAS CA . 27572 1 75 . 1 1 11 11 CYS CB C 13 38.8 0.3 . 1 . . . . . 11 ALAS CB . 27572 1 76 . 1 1 11 11 CYS N N 15 113.8 0.5 . 1 . . . . . 11 ALAS N . 27572 1 77 . 1 1 12 12 LYS H H 1 9.05 0.03 . 1 . . . . . 12 LYS H . 27572 1 78 . 1 1 12 12 LYS HA H 1 4.5 0.1 . 1 . . . . . 12 LYS HA . 27572 1 79 . 1 1 12 12 LYS C C 13 177.7 0.3 . 1 . . . . . 12 LYS C . 27572 1 80 . 1 1 12 12 LYS CA C 13 58.73 0.3 . 1 . . . . . 12 LYS CA . 27572 1 81 . 1 1 12 12 LYS CB C 13 31.14 0.3 . 1 . . . . . 12 LYS CB . 27572 1 82 . 1 1 12 12 LYS CG C 13 26.02 0.3 . 1 . . . . . 12 LYS CG . 27572 1 83 . 1 1 12 12 LYS CD C 13 29.56 0.3 . 1 . . . . . 12 LYS CD . 27572 1 84 . 1 1 12 12 LYS CE C 13 41.59 0.3 . 1 . . . . . 12 LYS CE . 27572 1 85 . 1 1 12 12 LYS N N 15 123.8 0.5 . 1 . . . . . 12 LYS N . 27572 1 86 . 1 1 13 13 ABU H H 1 8.32 0.03 . 1 . . . . . 13 ABU H . 27572 1 87 . 1 1 13 13 ABU HA H 1 4.72 0.03 . 1 . . . . . 13 ABU HA . 27572 1 88 . 1 1 13 13 ABU C C 13 174.3 0.3 . 1 . . . . . 13 ABU C . 27572 1 89 . 1 1 13 13 ABU CA C 13 61.87 0.3 . 1 . . . . . 13 ABU CA . 27572 1 90 . 1 1 13 13 ABU CB C 13 43.93 0.3 . 1 . . . . . 13 ABU CB . 27572 1 91 . 1 1 13 13 ABU CG C 13 22.96 0.3 . 1 . . . . . 13 ABU CG . 27572 1 92 . 1 1 13 13 ABU N N 15 115.9 0.5 . 1 . . . . . 13 ABU N . 27572 1 93 . 1 1 14 14 GLY H H 1 7.64 0.03 . 1 . . . . . 14 GLY H . 27572 1 94 . 1 1 14 14 GLY HA2 H 1 4.25 0.25 . 2 . . . . . 14 GLY HA2 . 27572 1 95 . 1 1 14 14 GLY HA3 H 1 4.25 0.25 . 2 . . . . . 14 GLY HA3 . 27572 1 96 . 1 1 14 14 GLY C C 13 176.15 0.3 . 1 . . . . . 14 GLY C . 27572 1 97 . 1 1 14 14 GLY CA C 13 45.15 0.3 . 1 . . . . . 14 GLY CA . 27572 1 98 . 1 1 14 14 GLY N N 15 105.4 0.5 . 1 . . . . . 14 GLY N . 27572 1 99 . 1 1 15 15 ALA H H 1 7.97 0.03 . 1 . . . . . 15 ALA H . 27572 1 100 . 1 1 15 15 ALA HA H 1 4.15 0.03 . 1 . . . . . 15 ALA HA . 27572 1 101 . 1 1 15 15 ALA C C 13 180 0.3 . 1 . . . . . 15 ALA C . 27572 1 102 . 1 1 15 15 ALA CA C 13 55.01 0.3 . 1 . . . . . 15 ALA CA . 27572 1 103 . 1 1 15 15 ALA CB C 13 19.66 0.3 . 1 . . . . . 15 ALA CB . 27572 1 104 . 1 1 15 15 ALA N N 15 117.3 0.5 . 1 . . . . . 15 ALA N . 27572 1 105 . 1 1 16 16 LEU H H 1 8.49 0.03 . 1 . . . . . 16 LEU H . 27572 1 106 . 1 1 16 16 LEU HA H 1 4.2 0.03 . 1 . . . . . 16 LEU HA . 27572 1 107 . 1 1 16 16 LEU C C 13 176.1 0.3 . 1 . . . . . 16 LEU C . 27572 1 108 . 1 1 16 16 LEU CA C 13 57.8 0.3 . 1 . . . . . 16 LEU CA . 27572 1 109 . 1 1 16 16 LEU CB C 13 40.76 0.3 . 1 . . . . . 16 LEU CB . 27572 1 110 . 1 1 16 16 LEU CG C 13 27.52 0.3 . 1 . . . . . 16 LEU CG . 27572 1 111 . 1 1 16 16 LEU CD1 C 13 25.85 0.3 . 2 . . . . . 16 LEU CD1 . 27572 1 112 . 1 1 16 16 LEU CD2 C 13 23.51 0.3 . 2 . . . . . 16 LEU CD2 . 27572 1 113 . 1 1 16 16 LEU N N 15 114.6 0.5 . 1 . . . . . 16 LEU N . 27572 1 114 . 1 1 17 17 MET H H 1 8.25 0.03 . 1 . . . . . 17 MET H . 27572 1 115 . 1 1 17 17 MET HA H 1 4.2 0.03 . 1 . . . . . 17 MET HA . 27572 1 116 . 1 1 17 17 MET C C 13 176.5 0.3 . 1 . . . . . 17 MET C . 27572 1 117 . 1 1 17 17 MET CA C 13 57.8 0.3 . 1 . . . . . 17 MET CA . 27572 1 118 . 1 1 17 17 MET CB C 13 36.34 0.3 . 1 . . . . . 17 MET CB . 27572 1 119 . 1 1 17 17 MET CG C 13 31.43 0.3 . 1 . . . . . 17 MET CG . 27572 1 120 . 1 1 17 17 MET CE C 13 18.2 0.3 . 1 . . . . . 17 MET CE . 27572 1 121 . 1 1 17 17 MET N N 15 115.3 0.5 . 1 . . . . . 17 MET N . 27572 1 122 . 1 1 18 18 GLY H H 1 8.14 0.03 . 1 . . . . . 18 GLY H . 27572 1 123 . 1 1 18 18 GLY HA2 H 1 4.12 0.03 . 2 . . . . . 18 GLY HA2 . 27572 1 124 . 1 1 18 18 GLY HA3 H 1 4.12 0.03 . 2 . . . . . 18 GLY HA3 . 27572 1 125 . 1 1 18 18 GLY C C 13 174.26 0.3 . 1 . . . . . 18 GLY C . 27572 1 126 . 1 1 18 18 GLY CA C 13 44.8 0.3 . 1 . . . . . 18 GLY CA . 27572 1 127 . 1 1 18 18 GLY N N 15 101.2 0.5 . 1 . . . . . 18 GLY N . 27572 1 128 . 1 1 19 19 CYS H H 1 7.05 0.03 . 1 . . . . . 19 ALAS H . 27572 1 129 . 1 1 19 19 CYS HA H 1 5.35 0.15 . 1 . . . . . 19 ALAS HA . 27572 1 130 . 1 1 19 19 CYS C C 13 173.7 0.3 . 1 . . . . . 19 ALAS C . 27572 1 131 . 1 1 19 19 CYS CA C 13 54.06 0.3 . 1 . . . . . 19 ALAS CA . 27572 1 132 . 1 1 19 19 CYS CB C 13 36.5 0.3 . 1 . . . . . 19 ALAS CB . 27572 1 133 . 1 1 19 19 CYS N N 15 117.9 0.5 . 1 . . . . . 19 ALAS N . 27572 1 134 . 1 1 20 20 ASN H H 1 9.3 0.03 . 1 . . . . . 20 ASN H . 27572 1 135 . 1 1 20 20 ASN HA H 1 4.75 0.25 . 1 . . . . . 20 ASN HA . 27572 1 136 . 1 1 20 20 ASN C C 13 173.6 0.3 . 1 . . . . . 20 ASN C . 27572 1 137 . 1 1 20 20 ASN CA C 13 56.59 0.3 . 1 . . . . . 20 ASN CA . 27572 1 138 . 1 1 20 20 ASN CB C 13 34.63 0.3 . 1 . . . . . 20 ASN CB . 27572 1 139 . 1 1 20 20 ASN CG C 13 177 0.3 . 1 . . . . . 20 ASN CG . 27572 1 140 . 1 1 20 20 ASN N N 15 120.8 0.5 . 1 . . . . . 20 ASN N . 27572 1 141 . 1 1 21 21 MET H H 1 8.36 0.03 . 1 . . . . . 21 MET H . 27572 1 142 . 1 1 21 21 MET HA H 1 5.2 0.03 . 1 . . . . . 21 MET HA . 27572 1 143 . 1 1 21 21 MET C C 13 176.9 0.3 . 1 . . . . . 21 MET C . 27572 1 144 . 1 1 21 21 MET CA C 13 52 0.3 . 1 . . . . . 21 MET CA . 27572 1 145 . 1 1 21 21 MET CB C 13 30 0.3 . 1 . . . . . 21 MET CB . 27572 1 146 . 1 1 21 21 MET CG C 13 32.3 0.3 . 1 . . . . . 21 MET CG . 27572 1 147 . 1 1 21 21 MET CE C 13 17.25 0.3 . 1 . . . . . 21 MET CE . 27572 1 148 . 1 1 21 21 MET N N 15 111.85 0.5 . 1 . . . . . 21 MET N . 27572 1 149 . 1 1 22 22 LYS H H 1 7.33 0.03 . 1 . . . . . 22 LYS H . 27572 1 150 . 1 1 22 22 LYS HA H 1 4.5 0.1 . 1 . . . . . 22 LYS HA . 27572 1 151 . 1 1 22 22 LYS C C 13 176.6 0.3 . 1 . . . . . 22 LYS C . 27572 1 152 . 1 1 22 22 LYS CA C 13 58.73 0.3 . 1 . . . . . 22 LYS CA . 27572 1 153 . 1 1 22 22 LYS CB C 13 32.73 0.3 . 1 . . . . . 22 LYS CB . 27572 1 154 . 1 1 22 22 LYS CG C 13 24.53 0.3 . 1 . . . . . 22 LYS CG . 27572 1 155 . 1 1 22 22 LYS CD C 13 30.08 0.3 . 1 . . . . . 22 LYS CD . 27572 1 156 . 1 1 22 22 LYS CE C 13 42.01 0.3 . 1 . . . . . 22 LYS CE . 27572 1 157 . 1 1 22 22 LYS N N 15 124.8 0.5 . 1 . . . . . 22 LYS N . 27572 1 158 . 1 1 23 23 ABU H H 1 9.4 0.03 . 1 . . . . . 23 ABU H . 27572 1 159 . 1 1 23 23 ABU HA H 1 5.11 0.03 . 1 . . . . . 23 ABU HA . 27572 1 160 . 1 1 23 23 ABU C C 13 176.8 0.3 . 1 . . . . . 23 ABU C . 27572 1 161 . 1 1 23 23 ABU CA C 13 60.8 0.3 . 1 . . . . . 23 ABU CA . 27572 1 162 . 1 1 23 23 ABU CB C 13 50.5 0.3 . 1 . . . . . 23 ABU CB . 27572 1 163 . 1 1 23 23 ABU CG C 13 23.35 0.3 . 1 . . . . . 23 ABU CG . 27572 1 164 . 1 1 23 23 ABU N N 15 121 0.5 . 1 . . . . . 23 ABU N . 27572 1 165 . 1 1 24 24 ALA H H 1 8.41 0.03 . 1 . . . . . 24 ALA H . 27572 1 166 . 1 1 24 24 ALA HA H 1 3.9 0.03 . 1 . . . . . 24 ALA HA . 27572 1 167 . 1 1 24 24 ALA C C 13 179 0.3 . 1 . . . . . 24 ALA C . 27572 1 168 . 1 1 24 24 ALA CA C 13 53.5 0.3 . 1 . . . . . 24 ALA CA . 27572 1 169 . 1 1 24 24 ALA CB C 13 17.97 0.3 . 1 . . . . . 24 ALA CB . 27572 1 170 . 1 1 24 24 ALA N N 15 126.1 0.5 . 1 . . . . . 24 ALA N . 27572 1 171 . 1 1 25 25 ABU H H 1 9.05 0.03 . 1 . . . . . 25 ABU H . 27572 1 172 . 1 1 25 25 ABU HA H 1 4.76 0.03 . 1 . . . . . 25 ABU HA . 27572 1 173 . 1 1 25 25 ABU C C 13 176.7 0.3 . 1 . . . . . 25 ABU C . 27572 1 174 . 1 1 25 25 ABU CA C 13 63.5 0.3 . 1 . . . . . 25 ABU CA . 27572 1 175 . 1 1 25 25 ABU CB C 13 46.85 0.3 . 1 . . . . . 25 ABU CB . 27572 1 176 . 1 1 25 25 ABU CG C 13 23.35 0.3 . 1 . . . . . 25 ABU CG . 27572 1 177 . 1 1 25 25 ABU N N 15 114.7 0.5 . 1 . . . . . 25 ABU N . 27572 1 178 . 1 1 26 26 CYS H H 1 9 0.03 . 1 . . . . . 26 ALAS H . 27572 1 179 . 1 1 26 26 CYS HA H 1 5.32 0.03 . 1 . . . . . 26 ALAS HA . 27572 1 180 . 1 1 26 26 CYS C C 13 173.9 0.3 . 1 . . . . . 26 ALAS C . 27572 1 181 . 1 1 26 26 CYS CA C 13 59.7 0.3 . 1 . . . . . 26 ALAS CA . 27572 1 182 . 1 1 26 26 CYS CB C 13 41.5 0.3 . 1 . . . . . 26 ALAS CB . 27572 1 183 . 1 1 26 26 CYS N N 15 123.6 0.5 . 1 . . . . . 26 ALAS N . 27572 1 184 . 1 1 27 27 ASN H H 1 8 0.03 . 1 . . . . . 27 ASN H . 27572 1 185 . 1 1 27 27 ASN HA H 1 5.25 0.03 . 1 . . . . . 27 ASN HA . 27572 1 186 . 1 1 27 27 ASN C C 13 175.1 0.3 . 1 . . . . . 27 ASN C . 27572 1 187 . 1 1 27 27 ASN CA C 13 50.73 0.3 . 1 . . . . . 27 ASN CA . 27572 1 188 . 1 1 27 27 ASN CB C 13 38.5 0.3 . 1 . . . . . 27 ASN CB . 27572 1 189 . 1 1 27 27 ASN CG C 13 178.4 0.3 . 1 . . . . . 27 ASN CG . 27572 1 190 . 1 1 27 27 ASN N N 15 115.6 0.5 . 1 . . . . . 27 ASN N . 27572 1 191 . 1 1 27 27 ASN ND2 N 15 113.3 0.5 . 1 . . . . . 27 ASN ND2 . 27572 1 192 . 1 1 28 28 CYS H H 1 6.55 0.03 . 1 . . . . . 28 ALAS H . 27572 1 193 . 1 1 28 28 CYS HA H 1 4.75 0.25 . 1 . . . . . 28 ALAS HA . 27572 1 194 . 1 1 28 28 CYS C C 13 173 0.3 . 1 . . . . . 28 ALAS C . 27572 1 195 . 1 1 28 28 CYS CA C 13 55.95 0.3 . 1 . . . . . 28 ALAS CA . 27572 1 196 . 1 1 28 28 CYS CB C 13 42.42 0.3 . 1 . . . . . 28 ALAS CB . 27572 1 197 . 1 1 28 28 CYS N N 15 118.2 0.5 . 1 . . . . . 28 ALAS N . 27572 1 198 . 1 1 29 29 SER H H 1 8.78 0.03 . 1 . . . . . 29 SER H . 27572 1 199 . 1 1 29 29 SER HA H 1 4.75 0.25 . 1 . . . . . 29 SER HA . 27572 1 200 . 1 1 29 29 SER C C 13 172.8 0.3 . 1 . . . . . 29 SER C . 27572 1 201 . 1 1 29 29 SER CA C 13 56.1 0.3 . 1 . . . . . 29 SER CA . 27572 1 202 . 1 1 29 29 SER CB C 13 64.95 0.3 . 1 . . . . . 29 SER CB . 27572 1 203 . 1 1 29 29 SER N N 15 114.4 0.5 . 1 . . . . . 29 SER N . 27572 1 204 . 1 1 30 30 ILE H H 1 9.3 0.03 . 1 . . . . . 30 ILE H . 27572 1 205 . 1 1 30 30 ILE C C 13 174.2 0.3 . 1 . . . . . 30 ILE C . 27572 1 206 . 1 1 30 30 ILE CA C 13 59.4 0.3 . 1 . . . . . 30 ILE CA . 27572 1 207 . 1 1 30 30 ILE CB C 13 38.2 0.3 . 1 . . . . . 30 ILE CB . 27572 1 208 . 1 1 30 30 ILE CG1 C 13 27.78 0.3 . 1 . . . . . 30 ILE CG1 . 27572 1 209 . 1 1 30 30 ILE CG2 C 13 17.68 0.3 . 1 . . . . . 30 ILE CG2 . 27572 1 210 . 1 1 30 30 ILE CD1 C 13 17.68 0.3 . 1 . . . . . 30 ILE CD1 . 27572 1 211 . 1 1 30 30 ILE N N 15 124.5 0.5 . 1 . . . . . 30 ILE N . 27572 1 212 . 1 1 31 31 HIS H H 1 9.1 0.03 . 1 . . . . . 31 HIS H . 27572 1 213 . 1 1 31 31 HIS C C 13 174.4 0.3 . 1 . . . . . 31 HIS C . 27572 1 214 . 1 1 31 31 HIS CA C 13 54.72 0.3 . 1 . . . . . 31 HIS CA . 27572 1 215 . 1 1 31 31 HIS CB C 13 30.79 0.3 . 1 . . . . . 31 HIS CB . 27572 1 216 . 1 1 31 31 HIS CG C 13 129.9 0.3 . 1 . . . . . 31 HIS CG . 27572 1 217 . 1 1 31 31 HIS CD2 C 13 115.9 0.3 . 1 . . . . . 31 HIS CD2 . 27572 1 218 . 1 1 31 31 HIS CE1 C 13 137.5 0.3 . 1 . . . . . 31 HIS CE1 . 27572 1 219 . 1 1 31 31 HIS N N 15 126.4 0.5 . 1 . . . . . 31 HIS N . 27572 1 220 . 1 1 32 32 VAL H H 1 8.37 0.03 . 1 . . . . . 32 VAL H . 27572 1 221 . 1 1 32 32 VAL CA C 13 60.89 0.7 . 1 . . . . . 32 VAL CA . 27572 1 222 . 1 1 32 32 VAL CB C 13 33.3 0.3 . 1 . . . . . 32 VAL CB . 27572 1 223 . 1 1 32 32 VAL CG1 C 13 20.3 0.3 . 2 . . . . . 32 VAL CG1 . 27572 1 224 . 1 1 32 32 VAL N N 15 111.8 0.5 . 1 . . . . . 32 VAL N . 27572 1 stop_ save_