################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5584 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 '1H-15N HSQC' 1 $sample_1 . 5584 1 2 '1H-13C HSQC' 1 $sample_1 . 5584 1 3 CBCA(CO)NH 1 $sample_1 . 5584 1 4 CBCANH 1 $sample_1 . 5584 1 5 HNCO 1 $sample_1 . 5584 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 1 1 ALA C C 13 167.9 0.1 . 1 . . . . . . . . 5584 1 2 . 1 1 1 1 ALA CA C 13 48.9 0.2 . 1 . . . . . . . . 5584 1 3 . 1 1 1 1 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 5584 1 4 . 1 1 2 2 ASN C C 13 172.5 0.1 . 1 . . . . . . . . 5584 1 5 . 1 1 2 2 ASN CA C 13 51.7 0.2 . 1 . . . . . . . . 5584 1 6 . 1 1 2 2 ASN CB C 13 36.3 0.2 . 1 . . . . . . . . 5584 1 7 . 1 1 3 3 ALA C C 13 174.0 0.1 . 1 . . . . . . . . 5584 1 8 . 1 1 3 3 ALA CA C 13 48.9 0.2 . 1 . . . . . . . . 5584 1 9 . 1 1 3 3 ALA CB C 13 20.0 0.2 . 1 . . . . . . . . 5584 1 10 . 1 1 4 4 THR C C 13 170.9 0.1 . 1 . . . . . . . . 5584 1 11 . 1 1 4 4 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 5584 1 12 . 1 1 4 4 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 5584 1 13 . 1 1 5 5 VAL C C 13 173.2 0.1 . 1 . . . . . . . . 5584 1 14 . 1 1 5 5 VAL CA C 13 58.1 0.2 . 1 . . . . . . . . 5584 1 15 . 1 1 5 5 VAL CB C 13 33.3 0.2 . 1 . . . . . . . . 5584 1 16 . 1 1 6 6 LYS CA C 13 54.1 0.2 . 1 . . . . . . . . 5584 1 17 . 1 1 6 6 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5584 1 18 . 1 1 7 7 MET CA C 13 56.3 0.2 . 1 . . . . . . . . 5584 1 19 . 1 1 7 7 MET CB C 13 27.9 0.2 . 1 . . . . . . . . 5584 1 20 . 1 1 8 8 GLY C C 13 170.4 0.1 . 1 . . . . . . . . 5584 1 21 . 1 1 8 8 GLY CA C 13 43.8 0.2 . 1 . . . . . . . . 5584 1 22 . 1 1 9 9 SER C C 13 173.6 0.1 . 1 . . . . . . . . 5584 1 23 . 1 1 9 9 SER CA C 13 52.7 0.2 . 1 . . . . . . . . 5584 1 24 . 1 1 9 9 SER CB C 13 62.7 0.2 . 1 . . . . . . . . 5584 1 25 . 1 1 10 10 ASP C C 13 175.3 0.1 . 1 . . . . . . . . 5584 1 26 . 1 1 10 10 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 5584 1 27 . 1 1 10 10 ASP CB C 13 37.5 0.2 . 1 . . . . . . . . 5584 1 28 . 1 1 11 11 SER C C 13 172.4 0.1 . 1 . . . . . . . . 5584 1 29 . 1 1 11 11 SER CA C 13 55.9 0.2 . 1 . . . . . . . . 5584 1 30 . 1 1 11 11 SER CB C 13 61.0 0.2 . 1 . . . . . . . . 5584 1 31 . 1 1 12 12 GLY C C 13 170.2 0.1 . 1 . . . . . . . . 5584 1 32 . 1 1 12 12 GLY CA C 13 43.4 0.2 . 1 . . . . . . . . 5584 1 33 . 1 1 13 13 ALA CA C 13 48.6 0.2 . 1 . . . . . . . . 5584 1 34 . 1 1 13 13 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5584 1 35 . 1 1 15 15 VAL CA C 13 56.3 0.2 . 1 . . . . . . . . 5584 1 36 . 1 1 15 15 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 5584 1 37 . 1 1 16 16 PHE C C 13 173.2 0.1 . 1 . . . . . . . . 5584 1 38 . 1 1 16 16 PHE CA C 13 56.4 0.2 . 1 . . . . . . . . 5584 1 39 . 1 1 16 16 PHE CB C 13 37.8 0.2 . 1 . . . . . . . . 5584 1 40 . 1 1 17 17 GLU CA C 13 49.8 0.2 . 1 . . . . . . . . 5584 1 41 . 1 1 17 17 GLU CB C 13 32.0 0.2 . 1 . . . . . . . . 5584 1 42 . 1 1 18 18 PRO C C 13 173.9 0.1 . 1 . . . . . . . . 5584 1 43 . 1 1 19 19 SER C C 13 173.0 0.1 . 1 . . . . . . . . 5584 1 44 . 1 1 19 19 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 5584 1 45 . 1 1 19 19 SER CB C 13 61.0 0.2 . 1 . . . . . . . . 5584 1 46 . 1 1 20 20 THR C C 13 170.9 0.1 . 1 . . . . . . . . 5584 1 47 . 1 1 20 20 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 5584 1 48 . 1 1 20 20 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 5584 1 49 . 1 1 21 21 VAL C C 13 170.6 0.1 . 1 . . . . . . . . 5584 1 50 . 1 1 21 21 VAL CA C 13 57.0 0.2 . 1 . . . . . . . . 5584 1 51 . 1 1 21 21 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 5584 1 52 . 1 1 22 22 THR C C 13 171.8 0.1 . 1 . . . . . . . . 5584 1 53 . 1 1 22 22 THR CA C 13 58.2 0.2 . 1 . . . . . . . . 5584 1 54 . 1 1 22 22 THR CB C 13 67.7 0.2 . 1 . . . . . . . . 5584 1 55 . 1 1 23 23 ILE C C 13 171.6 0.1 . 1 . . . . . . . . 5584 1 56 . 1 1 23 23 ILE CA C 13 57.0 0.2 . 1 . . . . . . . . 5584 1 57 . 1 1 23 23 ILE CB C 13 39.4 0.2 . 1 . . . . . . . . 5584 1 58 . 1 1 24 24 LYS C C 13 174.3 0.1 . 1 . . . . . . . . 5584 1 59 . 1 1 24 24 LYS CA C 13 51.1 0.2 . 1 . . . . . . . . 5584 1 60 . 1 1 24 24 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . 5584 1 61 . 1 1 25 25 ALA C C 13 176.0 0.1 . 1 . . . . . . . . 5584 1 62 . 1 1 25 25 ALA CA C 13 51.8 0.2 . 1 . . . . . . . . 5584 1 63 . 1 1 25 25 ALA CB C 13 15.2 0.2 . 1 . . . . . . . . 5584 1 64 . 1 1 26 26 GLY C C 13 170.9 0.1 . 1 . . . . . . . . 5584 1 65 . 1 1 26 26 GLY CA C 13 42.3 0.2 . 1 . . . . . . . . 5584 1 66 . 1 1 27 27 GLU C C 13 170.5 0.1 . 1 . . . . . . . . 5584 1 67 . 1 1 27 27 GLU CA C 13 53.8 0.2 . 1 . . . . . . . . 5584 1 68 . 1 1 27 27 GLU CB C 13 28.2 0.2 . 1 . . . . . . . . 5584 1 69 . 1 1 28 28 GLU C C 13 173.3 0.1 . 1 . . . . . . . . 5584 1 70 . 1 1 28 28 GLU CA C 13 51.3 0.2 . 1 . . . . . . . . 5584 1 71 . 1 1 28 28 GLU CB C 13 32.2 0.2 . 1 . . . . . . . . 5584 1 72 . 1 1 29 29 VAL C C 13 170.1 0.1 . 1 . . . . . . . . 5584 1 73 . 1 1 29 29 VAL CA C 13 58.3 0.2 . 1 . . . . . . . . 5584 1 74 . 1 1 29 29 VAL CB C 13 30.9 0.2 . 1 . . . . . . . . 5584 1 75 . 1 1 30 30 LYS C C 13 172.2 0.1 . 1 . . . . . . . . 5584 1 76 . 1 1 30 30 LYS CA C 13 50.9 0.2 . 1 . . . . . . . . 5584 1 77 . 1 1 30 30 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 5584 1 78 . 1 1 31 31 TRP C C 13 173.9 0.1 . 1 . . . . . . . . 5584 1 79 . 1 1 31 31 TRP CA C 13 55.4 0.2 . 1 . . . . . . . . 5584 1 80 . 1 1 31 31 TRP CB C 13 30.5 0.2 . 1 . . . . . . . . 5584 1 81 . 1 1 32 32 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 5584 1 82 . 1 1 32 32 VAL CA C 13 57.6 0.2 . 1 . . . . . . . . 5584 1 83 . 1 1 32 32 VAL CB C 13 32.7 0.2 . 1 . . . . . . . . 5584 1 84 . 1 1 33 33 ASN C C 13 171.2 0.1 . 1 . . . . . . . . 5584 1 85 . 1 1 33 33 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 5584 1 86 . 1 1 33 33 ASN CB C 13 36.4 0.2 . 1 . . . . . . . . 5584 1 87 . 1 1 34 34 ASN CA C 13 55.2 0.2 . 1 . . . . . . . . 5584 1 88 . 1 1 34 34 ASN CB C 13 39.5 0.2 . 1 . . . . . . . . 5584 1 89 . 1 1 35 35 LYS C C 13 171.8 0.1 . 1 . . . . . . . . 5584 1 90 . 1 1 35 35 LYS CA C 13 52.9 0.2 . 1 . . . . . . . . 5584 1 91 . 1 1 35 35 LYS CB C 13 34.8 0.2 . 1 . . . . . . . . 5584 1 92 . 1 1 36 36 LEU CA C 13 52.6 0.2 . 1 . . . . . . . . 5584 1 93 . 1 1 41 41 ILE CA C 13 56.7 0.2 . 1 . . . . . . . . 5584 1 94 . 1 1 41 41 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 5584 1 95 . 1 1 42 42 VAL C C 13 172.1 0.1 . 1 . . . . . . . . 5584 1 96 . 1 1 42 42 VAL CA C 13 59.2 0.2 . 1 . . . . . . . . 5584 1 97 . 1 1 42 42 VAL CB C 13 30.8 0.2 . 1 . . . . . . . . 5584 1 98 . 1 1 43 43 PHE C C 13 173.3 0.1 . 1 . . . . . . . . 5584 1 99 . 1 1 43 43 PHE CA C 13 55.7 0.2 . 1 . . . . . . . . 5584 1 100 . 1 1 43 43 PHE CB C 13 37.2 0.2 . 1 . . . . . . . . 5584 1 101 . 1 1 44 44 ALA C C 13 175.2 0.1 . 1 . . . . . . . . 5584 1 102 . 1 1 44 44 ALA CA C 13 48.8 0.2 . 1 . . . . . . . . 5584 1 103 . 1 1 44 44 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5584 1 104 . 1 1 45 45 ALA C C 13 173.9 0.1 . 1 . . . . . . . . 5584 1 105 . 1 1 45 45 ALA CA C 13 48.8 0.2 . 1 . . . . . . . . 5584 1 106 . 1 1 45 45 ALA CB C 13 15.7 0.2 . 1 . . . . . . . . 5584 1 107 . 1 1 46 46 ASP C C 13 174.2 0.1 . 1 . . . . . . . . 5584 1 108 . 1 1 46 46 ASP CA C 13 51.2 0.2 . 1 . . . . . . . . 5584 1 109 . 1 1 46 46 ASP CB C 13 38.8 0.2 . 1 . . . . . . . . 5584 1 110 . 1 1 47 47 GLY C C 13 170.7 0.1 . 1 . . . . . . . . 5584 1 111 . 1 1 47 47 GLY CA C 13 43.3 0.2 . 1 . . . . . . . . 5584 1 112 . 1 1 48 48 VAL C C 13 172.0 0.1 . 1 . . . . . . . . 5584 1 113 . 1 1 48 48 VAL CA C 13 57.2 0.2 . 1 . . . . . . . . 5584 1 114 . 1 1 48 48 VAL CB C 13 33.4 0.2 . 1 . . . . . . . . 5584 1 115 . 1 1 49 49 ASP C C 13 173.7 0.1 . 1 . . . . . . . . 5584 1 116 . 1 1 49 49 ASP CA C 13 51.5 0.2 . 1 . . . . . . . . 5584 1 117 . 1 1 49 49 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 5584 1 118 . 1 1 50 50 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5584 1 119 . 1 1 50 50 ALA CA C 13 53.1 0.2 . 1 . . . . . . . . 5584 1 120 . 1 1 50 50 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 5584 1 121 . 1 1 51 51 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 5584 1 122 . 1 1 51 51 ASP CA C 13 54.9 0.2 . 1 . . . . . . . . 5584 1 123 . 1 1 51 51 ASP CB C 13 38.3 0.2 . 1 . . . . . . . . 5584 1 124 . 1 1 52 52 THR C C 13 173.4 0.1 . 1 . . . . . . . . 5584 1 125 . 1 1 53 53 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 5584 1 126 . 1 1 54 54 ALA C C 13 176.1 0.1 . 1 . . . . . . . . 5584 1 127 . 1 1 54 54 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 5584 1 128 . 1 1 54 54 ALA CB C 13 16.3 0.2 . 1 . . . . . . . . 5584 1 129 . 1 1 55 55 LYS C C 13 175.6 0.1 . 1 . . . . . . . . 5584 1 130 . 1 1 55 55 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 5584 1 131 . 1 1 55 55 LYS CB C 13 30.4 0.2 . 1 . . . . . . . . 5584 1 132 . 1 1 56 56 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 5584 1 133 . 1 1 56 56 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 5584 1 134 . 1 1 56 56 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 5584 1 135 . 1 1 57 57 SER C C 13 168.7 0.1 . 1 . . . . . . . . 5584 1 136 . 1 1 57 57 SER CA C 13 57.6 0.2 . 1 . . . . . . . . 5584 1 137 . 1 1 57 57 SER CB C 13 62.3 0.2 . 1 . . . . . . . . 5584 1 138 . 1 1 58 58 HIS C C 13 169.9 0.1 . 1 . . . . . . . . 5584 1 139 . 1 1 58 58 HIS CA C 13 51.6 0.2 . 1 . . . . . . . . 5584 1 140 . 1 1 58 58 HIS CB C 13 31.0 0.2 . 1 . . . . . . . . 5584 1 141 . 1 1 59 59 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5584 1 142 . 1 1 59 59 LYS CA C 13 55.5 0.2 . 1 . . . . . . . . 5584 1 143 . 1 1 59 59 LYS CB C 13 39.1 0.2 . 1 . . . . . . . . 5584 1 144 . 1 1 60 60 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . 5584 1 145 . 1 1 61 61 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 5584 1 146 . 1 1 61 61 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 5584 1 147 . 1 1 62 62 ALA C C 13 174.1 0.1 . 1 . . . . . . . . 5584 1 148 . 1 1 62 62 ALA CA C 13 48.9 0.2 . 1 . . . . . . . . 5584 1 149 . 1 1 62 62 ALA CB C 13 17.3 0.2 . 1 . . . . . . . . 5584 1 150 . 1 1 63 63 PHE C C 13 174.1 0.1 . 1 . . . . . . . . 5584 1 151 . 1 1 63 63 PHE CA C 13 57.0 0.2 . 1 . . . . . . . . 5584 1 152 . 1 1 63 63 PHE CB C 13 40.1 0.2 . 1 . . . . . . . . 5584 1 153 . 1 1 64 64 ALA C C 13 176.2 0.1 . 1 . . . . . . . . 5584 1 154 . 1 1 64 64 ALA CA C 13 49.4 0.2 . 1 . . . . . . . . 5584 1 155 . 1 1 64 64 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 5584 1 156 . 1 1 65 65 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5584 1 157 . 1 1 65 65 ALA CA C 13 51.4 0.2 . 1 . . . . . . . . 5584 1 158 . 1 1 65 65 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 5584 1 159 . 1 1 66 66 GLY C C 13 171.6 0.1 . 1 . . . . . . . . 5584 1 160 . 1 1 66 66 GLY CA C 13 43.2 0.2 . 1 . . . . . . . . 5584 1 161 . 1 1 67 67 GLU C C 13 172.7 0.1 . 1 . . . . . . . . 5584 1 162 . 1 1 67 67 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 5584 1 163 . 1 1 67 67 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 5584 1 164 . 1 1 68 68 SER C C 13 170.4 0.1 . 1 . . . . . . . . 5584 1 165 . 1 1 68 68 SER CA C 13 53.8 0.2 . 1 . . . . . . . . 5584 1 166 . 1 1 68 68 SER CB C 13 64.8 0.2 . 1 . . . . . . . . 5584 1 167 . 1 1 69 69 PHE C C 13 172.4 0.1 . 1 . . . . . . . . 5584 1 168 . 1 1 69 69 PHE CA C 13 52.6 0.2 . 1 . . . . . . . . 5584 1 169 . 1 1 69 69 PHE CB C 13 40.7 0.2 . 1 . . . . . . . . 5584 1 170 . 1 1 70 70 THR C C 13 172.8 0.1 . 1 . . . . . . . . 5584 1 171 . 1 1 70 70 THR CA C 13 58.1 0.2 . 1 . . . . . . . . 5584 1 172 . 1 1 70 70 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 5584 1 173 . 1 1 71 71 SER C C 13 168.7 0.1 . 1 . . . . . . . . 5584 1 174 . 1 1 71 71 SER CA C 13 55.6 0.2 . 1 . . . . . . . . 5584 1 175 . 1 1 71 71 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 5584 1 176 . 1 1 72 72 THR C C 13 170.5 0.1 . 1 . . . . . . . . 5584 1 177 . 1 1 72 72 THR CA C 13 59.8 0.2 . 1 . . . . . . . . 5584 1 178 . 1 1 72 72 THR CB C 13 67.1 0.2 . 1 . . . . . . . . 5584 1 179 . 1 1 73 73 PHE C C 13 173.3 0.1 . 1 . . . . . . . . 5584 1 180 . 1 1 73 73 PHE CA C 13 53.7 0.2 . 1 . . . . . . . . 5584 1 181 . 1 1 73 73 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 5584 1 182 . 1 1 74 74 THR C C 13 171.7 0.1 . 1 . . . . . . . . 5584 1 183 . 1 1 74 74 THR CA C 13 61.1 0.2 . 1 . . . . . . . . 5584 1 184 . 1 1 74 74 THR CB C 13 66.3 0.2 . 1 . . . . . . . . 5584 1 185 . 1 1 75 75 GLU CA C 13 50.4 0.2 . 1 . . . . . . . . 5584 1 186 . 1 1 75 75 GLU CB C 13 28.8 0.2 . 1 . . . . . . . . 5584 1 187 . 1 1 77 77 GLY C C 13 169.1 0.1 . 1 . . . . . . . . 5584 1 188 . 1 1 77 77 GLY CA C 13 42.5 0.2 . 1 . . . . . . . . 5584 1 189 . 1 1 78 78 THR C C 13 171.2 0.1 . 1 . . . . . . . . 5584 1 190 . 1 1 78 78 THR CA C 13 60.4 0.2 . 1 . . . . . . . . 5584 1 191 . 1 1 78 78 THR CB C 13 66.4 0.2 . 1 . . . . . . . . 5584 1 192 . 1 1 79 79 TYR C C 13 173.1 0.1 . 1 . . . . . . . . 5584 1 193 . 1 1 79 79 TYR CA C 13 54.2 0.2 . 1 . . . . . . . . 5584 1 194 . 1 1 79 79 TYR CB C 13 38.4 0.2 . 1 . . . . . . . . 5584 1 195 . 1 1 80 80 THR C C 13 170.5 0.1 . 1 . . . . . . . . 5584 1 196 . 1 1 80 80 THR CA C 13 59.7 0.2 . 1 . . . . . . . . 5584 1 197 . 1 1 80 80 THR CB C 13 67.7 0.2 . 1 . . . . . . . . 5584 1 198 . 1 1 86 86 HIS CA C 13 52.2 0.2 . 1 . . . . . . . . 5584 1 199 . 1 1 86 86 HIS CB C 13 35.6 0.2 . 1 . . . . . . . . 5584 1 200 . 1 1 87 87 ARG CA C 13 55.0 0.2 . 1 . . . . . . . . 5584 1 201 . 1 1 87 87 ARG CB C 13 38.0 0.2 . 1 . . . . . . . . 5584 1 202 . 1 1 88 88 GLY CA C 13 42.3 0.2 . 1 . . . . . . . . 5584 1 203 . 1 1 89 89 ALA C C 13 175.8 0.1 . 1 . . . . . . . . 5584 1 204 . 1 1 89 89 ALA CA C 13 49.2 0.2 . 1 . . . . . . . . 5584 1 205 . 1 1 89 89 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 5584 1 206 . 1 1 90 90 GLY CA C 13 43.0 0.2 . 1 . . . . . . . . 5584 1 207 . 1 1 92 92 VAL CA C 13 58.1 0.2 . 1 . . . . . . . . 5584 1 208 . 1 1 92 92 VAL CB C 13 33.7 0.2 . 1 . . . . . . . . 5584 1 209 . 1 1 93 93 GLY C C 13 169.3 0.1 . 1 . . . . . . . . 5584 1 210 . 1 1 93 93 GLY CA C 13 42.3 0.2 . 1 . . . . . . . . 5584 1 211 . 1 1 94 94 LYS C C 13 173.4 0.1 . 1 . . . . . . . . 5584 1 212 . 1 1 94 94 LYS CA C 13 52.9 0.2 . 1 . . . . . . . . 5584 1 213 . 1 1 94 94 LYS CB C 13 35.4 0.2 . 1 . . . . . . . . 5584 1 214 . 1 1 95 95 VAL C C 13 172.0 0.1 . 1 . . . . . . . . 5584 1 215 . 1 1 95 95 VAL CA C 13 59.0 0.2 . 1 . . . . . . . . 5584 1 216 . 1 1 95 95 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 5584 1 217 . 1 1 96 96 VAL C C 13 171.4 0.1 . 1 . . . . . . . . 5584 1 218 . 1 1 96 96 VAL CA C 13 59.8 0.2 . 1 . . . . . . . . 5584 1 219 . 1 1 96 96 VAL CB C 13 30.3 0.2 . 1 . . . . . . . . 5584 1 220 . 1 1 97 97 VAL C C 13 173.7 0.1 . 1 . . . . . . . . 5584 1 221 . 1 1 97 97 VAL CA C 13 57.7 0.2 . 1 . . . . . . . . 5584 1 222 . 1 1 97 97 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 5584 1 223 . 1 1 98 98 ASP CA C 13 52.3 0.2 . 1 . . . . . . . . 5584 1 224 . 1 1 98 98 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 5584 1 stop_ save_