################################### # 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 30304 _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 $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 '3D NCACX' . . . 30304 1 2 '3D NCOCX' . . . 30304 1 3 '3D CONCA' . . . 30304 1 4 '3D CANCX' . . . 30304 1 5 '13C-13C PITHIRDS-CT' . . . 30304 1 6 '13C-13C PITHIRDS-CT' . . . 30304 1 7 '15N-15N BARE' . . . 30304 1 8 '15N-15N BARE' . . . 30304 1 9 '13C-13C DARR' . . . 30304 1 10 '13C-13C DARR' . . . 30304 1 11 '3D NCACX' . . . 30304 1 12 '3D NCOCX' . . . 30304 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 3 3 SER C C 13 174.6 0.1 . 1 . . . . A 39 SER C . 30304 1 2 . 1 1 3 3 SER CA C 13 57.6 0.1 . 1 . . . . A 39 SER CA . 30304 1 3 . 1 1 3 3 SER CB C 13 65.6 0.1 . 1 . . . . A 39 SER CB . 30304 1 4 . 1 1 3 3 SER N N 15 118.5 0.2 . 1 . . . . A 39 SER N . 30304 1 5 . 1 1 4 4 GLY CA C 13 47.5 0.1 . 1 . . . . A 40 GLY CA . 30304 1 6 . 1 1 4 4 GLY N N 15 110.6 0.2 . 1 . . . . A 40 GLY N . 30304 1 7 . 1 1 8 8 SER C C 13 173.2 0.1 . 1 . . . . A 44 SER C . 30304 1 8 . 1 1 8 8 SER CA C 13 56.8 0.1 . 1 . . . . A 44 SER CA . 30304 1 9 . 1 1 8 8 SER CB C 13 65.5 0.1 . 1 . . . . A 44 SER CB . 30304 1 10 . 1 1 8 8 SER N N 15 122.1 0.2 . 1 . . . . A 44 SER N . 30304 1 11 . 1 1 9 9 THR C C 13 172.9 0.1 . 1 . . . . A 45 THR C . 30304 1 12 . 1 1 9 9 THR CA C 13 63.1 0.1 . 1 . . . . A 45 THR CA . 30304 1 13 . 1 1 9 9 THR CB C 13 71.7 0.1 . 1 . . . . A 45 THR CB . 30304 1 14 . 1 1 9 9 THR CG2 C 13 21.9 0.1 . 1 . . . . A 45 THR CG2 . 30304 1 15 . 1 1 9 9 THR N N 15 122.5 0.2 . 1 . . . . A 45 THR N . 30304 1 16 . 1 1 10 10 ASP C C 13 176.3 0.1 . 1 . . . . A 46 ASP C . 30304 1 17 . 1 1 10 10 ASP CA C 13 50.7 0.1 . 1 . . . . A 46 ASP CA . 30304 1 18 . 1 1 10 10 ASP CB C 13 42.9 0.1 . 1 . . . . A 46 ASP CB . 30304 1 19 . 1 1 10 10 ASP CG C 13 180.9 0.1 . 1 . . . . A 46 ASP CG . 30304 1 20 . 1 1 10 10 ASP N N 15 127.4 0.2 . 1 . . . . A 46 ASP N . 30304 1 21 . 1 1 11 11 THR C C 13 173.2 0.1 . 1 . . . . A 47 THR C . 30304 1 22 . 1 1 11 11 THR CA C 13 63.5 0.1 . 1 . . . . A 47 THR CA . 30304 1 23 . 1 1 11 11 THR CB C 13 71.5 0.1 . 1 . . . . A 47 THR CB . 30304 1 24 . 1 1 11 11 THR CG2 C 13 21.9 0.1 . 1 . . . . A 47 THR CG2 . 30304 1 25 . 1 1 11 11 THR N N 15 121.8 0.2 . 1 . . . . A 47 THR N . 30304 1 26 . 1 1 12 12 SER C C 13 176.1 0.1 . 1 . . . . A 48 SER C . 30304 1 27 . 1 1 12 12 SER CA C 13 59.3 0.1 . 1 . . . . A 48 SER CA . 30304 1 28 . 1 1 12 12 SER CB C 13 63.4 0.1 . 1 . . . . A 48 SER CB . 30304 1 29 . 1 1 12 12 SER N N 15 121.4 0.2 . 1 . . . . A 48 SER N . 30304 1 30 . 1 1 13 13 GLY C C 13 173.4 0.1 . 1 . . . . A 49 GLY C . 30304 1 31 . 1 1 13 13 GLY CA C 13 44.5 0.1 . 1 . . . . A 49 GLY CA . 30304 1 32 . 1 1 13 13 GLY N N 15 114.4 0.2 . 1 . . . . A 49 GLY N . 30304 1 33 . 1 1 14 14 TYR C C 13 173.5 0.1 . 1 . . . . A 50 TYR C . 30304 1 34 . 1 1 14 14 TYR CA C 13 61.7 0.1 . 1 . . . . A 50 TYR CA . 30304 1 35 . 1 1 14 14 TYR CB C 13 37.7 0.1 . 1 . . . . A 50 TYR CB . 30304 1 36 . 1 1 14 14 TYR CG C 13 128.2 0.1 . 1 . . . . A 50 TYR CG . 30304 1 37 . 1 1 14 14 TYR CD1 C 13 131.4 0.1 . 3 . . . . A 50 TYR CD1 . 30304 1 38 . 1 1 14 14 TYR CD2 C 13 133.5 0.1 . 3 . . . . A 50 TYR CD2 . 30304 1 39 . 1 1 14 14 TYR CE1 C 13 118.8 0.1 . 3 . . . . A 50 TYR CE1 . 30304 1 40 . 1 1 14 14 TYR CZ C 13 157.0 0.1 . 1 . . . . A 50 TYR CZ . 30304 1 41 . 1 1 14 14 TYR N N 15 104.7 0.2 . 1 . . . . A 50 TYR N . 30304 1 42 . 1 1 15 15 GLY C C 13 172.1 0.1 . 1 . . . . A 51 GLY C . 30304 1 43 . 1 1 15 15 GLY CA C 13 42.9 0.1 . 1 . . . . A 51 GLY CA . 30304 1 44 . 1 1 15 15 GLY N N 15 108.3 0.2 . 1 . . . . A 51 GLY N . 30304 1 45 . 1 1 16 16 GLN C C 13 176.0 0.1 . 1 . . . . A 52 GLN C . 30304 1 46 . 1 1 16 16 GLN CA C 13 56.4 0.1 . 1 . . . . A 52 GLN CA . 30304 1 47 . 1 1 16 16 GLN CB C 13 27.1 0.1 . 1 . . . . A 52 GLN CB . 30304 1 48 . 1 1 16 16 GLN CG C 13 35.2 0.1 . 1 . . . . A 52 GLN CG . 30304 1 49 . 1 1 16 16 GLN CD C 13 181.1 0.1 . 1 . . . . A 52 GLN CD . 30304 1 50 . 1 1 16 16 GLN N N 15 110.3 0.2 . 1 . . . . A 52 GLN N . 30304 1 51 . 1 1 17 17 SER C C 13 173.0 0.1 . 1 . . . . A 53 SER C . 30304 1 52 . 1 1 17 17 SER CA C 13 58.0 0.1 . 1 . . . . A 53 SER CA . 30304 1 53 . 1 1 17 17 SER CB C 13 66.5 0.1 . 1 . . . . A 53 SER CB . 30304 1 54 . 1 1 17 17 SER N N 15 116.4 0.2 . 1 . . . . A 53 SER N . 30304 1 55 . 1 1 18 18 SER C C 13 175.0 0.1 . 1 . . . . A 54 SER C . 30304 1 56 . 1 1 18 18 SER CA C 13 56.1 0.1 . 1 . . . . A 54 SER CA . 30304 1 57 . 1 1 18 18 SER CB C 13 66.5 0.1 . 1 . . . . A 54 SER CB . 30304 1 58 . 1 1 18 18 SER N N 15 113.9 0.2 . 1 . . . . A 54 SER N . 30304 1 59 . 1 1 27 27 ASN C C 13 173.7 0.1 . 1 . . . . A 63 ASN C . 30304 1 60 . 1 1 27 27 ASN CA C 13 52.4 0.1 . 1 . . . . A 63 ASN CA . 30304 1 61 . 1 1 27 27 ASN CB C 13 39.9 0.1 . 1 . . . . A 63 ASN CB . 30304 1 62 . 1 1 27 27 ASN CG C 13 176.4 0.1 . 1 . . . . A 63 ASN CG . 30304 1 63 . 1 1 27 27 ASN N N 15 126.9 0.2 . 1 . . . . A 63 ASN N . 30304 1 64 . 1 1 28 28 THR C C 13 173.6 0.1 . 1 . . . . A 64 THR C . 30304 1 65 . 1 1 28 28 THR CA C 13 61.4 0.1 . 1 . . . . A 64 THR CA . 30304 1 66 . 1 1 28 28 THR CB C 13 70.6 0.1 . 1 . . . . A 64 THR CB . 30304 1 67 . 1 1 28 28 THR CG2 C 13 21.9 0.1 . 1 . . . . A 64 THR CG2 . 30304 1 68 . 1 1 28 28 THR N N 15 122.9 0.2 . 1 . . . . A 64 THR N . 30304 1 69 . 1 1 29 29 GLY C C 13 171.1 0.1 . 1 . . . . A 65 GLY C . 30304 1 70 . 1 1 29 29 GLY CA C 13 45.5 0.1 . 1 . . . . A 65 GLY CA . 30304 1 71 . 1 1 29 29 GLY N N 15 117.2 0.2 . 1 . . . . A 65 GLY N . 30304 1 72 . 1 1 30 30 TYR C C 13 177.5 0.1 . 1 . . . . A 66 TYR C . 30304 1 73 . 1 1 30 30 TYR CA C 13 57.9 0.1 . 1 . . . . A 66 TYR CA . 30304 1 74 . 1 1 30 30 TYR CB C 13 41.5 0.1 . 1 . . . . A 66 TYR CB . 30304 1 75 . 1 1 30 30 TYR CG C 13 130.1 0.1 . 1 . . . . A 66 TYR CG . 30304 1 76 . 1 1 30 30 TYR CD1 C 13 132.0 0.1 . 3 . . . . A 66 TYR CD1 . 30304 1 77 . 1 1 30 30 TYR CD2 C 13 134.1 0.1 . 3 . . . . A 66 TYR CD2 . 30304 1 78 . 1 1 30 30 TYR CE1 C 13 118.8 0.1 . 3 . . . . A 66 TYR CE1 . 30304 1 79 . 1 1 30 30 TYR CZ C 13 156.9 0.1 . 1 . . . . A 66 TYR CZ . 30304 1 80 . 1 1 30 30 TYR N N 15 122.9 0.2 . 1 . . . . A 66 TYR N . 30304 1 81 . 1 1 31 31 GLY C C 13 174.0 0.1 . 1 . . . . A 67 GLY C . 30304 1 82 . 1 1 31 31 GLY CA C 13 47.1 0.1 . 1 . . . . A 67 GLY CA . 30304 1 83 . 1 1 31 31 GLY N N 15 114.9 0.2 . 1 . . . . A 67 GLY N . 30304 1 84 . 1 1 32 32 THR C C 13 172.0 0.1 . 1 . . . . A 68 THR C . 30304 1 85 . 1 1 32 32 THR CA C 13 61.4 0.1 . 1 . . . . A 68 THR CA . 30304 1 86 . 1 1 32 32 THR CB C 13 70.1 0.1 . 1 . . . . A 68 THR CB . 30304 1 87 . 1 1 32 32 THR N N 15 115.0 0.2 . 1 . . . . A 68 THR N . 30304 1 88 . 1 1 33 33 GLN C C 13 173.6 0.1 . 1 . . . . A 69 GLN C . 30304 1 89 . 1 1 33 33 GLN CA C 13 53.9 0.1 . 1 . . . . A 69 GLN CA . 30304 1 90 . 1 1 33 33 GLN CB C 13 34.2 0.1 . 1 . . . . A 69 GLN CB . 30304 1 91 . 1 1 33 33 GLN CG C 13 34.8 0.1 . 1 . . . . A 69 GLN CG . 30304 1 92 . 1 1 33 33 GLN CD C 13 177.2 0.1 . 1 . . . . A 69 GLN CD . 30304 1 93 . 1 1 33 33 GLN N N 15 126.8 0.2 . 1 . . . . A 69 GLN N . 30304 1 94 . 1 1 34 34 SER C C 13 173.7 0.1 . 1 . . . . A 70 SER C . 30304 1 95 . 1 1 34 34 SER CA C 13 54.8 0.1 . 1 . . . . A 70 SER CA . 30304 1 96 . 1 1 34 34 SER CB C 13 64.2 0.1 . 1 . . . . A 70 SER CB . 30304 1 97 . 1 1 34 34 SER N N 15 120.5 0.2 . 1 . . . . A 70 SER N . 30304 1 98 . 1 1 35 35 THR CA C 13 60.7 0.1 . 1 . . . . A 71 THR CA . 30304 1 99 . 1 1 35 35 THR CB C 13 70.1 0.1 . 1 . . . . A 71 THR CB . 30304 1 100 . 1 1 35 35 THR CG2 C 13 20.5 0.1 . 1 . . . . A 71 THR CG2 . 30304 1 101 . 1 1 36 36 PRO C C 13 176.6 0.1 . 1 . . . . A 72 PRO C . 30304 1 102 . 1 1 36 36 PRO CA C 13 62.3 0.1 . 1 . . . . A 72 PRO CA . 30304 1 103 . 1 1 36 36 PRO CB C 13 32.3 0.1 . 1 . . . . A 72 PRO CB . 30304 1 104 . 1 1 36 36 PRO CG C 13 28.5 0.1 . 1 . . . . A 72 PRO CG . 30304 1 105 . 1 1 36 36 PRO CD C 13 47.2 0.1 . 1 . . . . A 72 PRO CD . 30304 1 106 . 1 1 36 36 PRO N N 15 132.9 0.2 . 1 . . . . A 72 PRO N . 30304 1 107 . 1 1 37 37 GLN C C 13 175.3 0.1 . 1 . . . . A 73 GLN C . 30304 1 108 . 1 1 37 37 GLN CA C 13 54.7 0.1 . 1 . . . . A 73 GLN CA . 30304 1 109 . 1 1 37 37 GLN CB C 13 33.4 0.1 . 1 . . . . A 73 GLN CB . 30304 1 110 . 1 1 37 37 GLN CG C 13 34.9 0.1 . 1 . . . . A 73 GLN CG . 30304 1 111 . 1 1 37 37 GLN N N 15 121.8 0.2 . 1 . . . . A 73 GLN N . 30304 1 112 . 1 1 38 38 GLY C C 13 173.9 0.1 . 1 . . . . A 74 GLY C . 30304 1 113 . 1 1 38 38 GLY CA C 13 46.2 0.1 . 1 . . . . A 74 GLY CA . 30304 1 114 . 1 1 38 38 GLY N N 15 110.2 0.2 . 1 . . . . A 74 GLY N . 30304 1 115 . 1 1 39 39 TYR C C 13 177.6 0.1 . 1 . . . . A 75 TYR C . 30304 1 116 . 1 1 39 39 TYR CA C 13 59.9 0.1 . 1 . . . . A 75 TYR CA . 30304 1 117 . 1 1 39 39 TYR CB C 13 39.7 0.1 . 1 . . . . A 75 TYR CB . 30304 1 118 . 1 1 39 39 TYR CG C 13 129.1 0.1 . 1 . . . . A 75 TYR CG . 30304 1 119 . 1 1 39 39 TYR CD1 C 13 131.2 0.1 . 3 . . . . A 75 TYR CD1 . 30304 1 120 . 1 1 39 39 TYR CD2 C 13 133.5 0.1 . 3 . . . . A 75 TYR CD2 . 30304 1 121 . 1 1 39 39 TYR CE1 C 13 117.6 0.1 . 3 . . . . A 75 TYR CE1 . 30304 1 122 . 1 1 39 39 TYR CE2 C 13 118.6 0.1 . 3 . . . . A 75 TYR CE2 . 30304 1 123 . 1 1 39 39 TYR CZ C 13 157.0 0.1 . 1 . . . . A 75 TYR CZ . 30304 1 124 . 1 1 39 39 TYR N N 15 126.6 0.2 . 1 . . . . A 75 TYR N . 30304 1 125 . 1 1 40 40 GLY C C 13 175.8 0.1 . 1 . . . . A 76 GLY C . 30304 1 126 . 1 1 40 40 GLY CA C 13 45.7 0.1 . 1 . . . . A 76 GLY CA . 30304 1 127 . 1 1 40 40 GLY N N 15 103.3 0.2 . 1 . . . . A 76 GLY N . 30304 1 128 . 1 1 41 41 SER C C 13 174.7 0.1 . 1 . . . . A 77 SER C . 30304 1 129 . 1 1 41 41 SER CA C 13 58.6 0.1 . 1 . . . . A 77 SER CA . 30304 1 130 . 1 1 41 41 SER CB C 13 65.2 0.1 . 1 . . . . A 77 SER CB . 30304 1 131 . 1 1 41 41 SER N N 15 119.1 0.2 . 1 . . . . A 77 SER N . 30304 1 132 . 1 1 42 42 THR C C 13 173.1 0.1 . 1 . . . . A 78 THR C . 30304 1 133 . 1 1 42 42 THR CA C 13 62.6 0.1 . 1 . . . . A 78 THR CA . 30304 1 134 . 1 1 42 42 THR CB C 13 69.9 0.1 . 1 . . . . A 78 THR CB . 30304 1 135 . 1 1 42 42 THR CG2 C 13 19.8 0.1 . 1 . . . . A 78 THR CG2 . 30304 1 136 . 1 1 42 42 THR N N 15 123.4 0.2 . 1 . . . . A 78 THR N . 30304 1 137 . 1 1 43 43 GLY C C 13 172.1 0.1 . 1 . . . . A 79 GLY C . 30304 1 138 . 1 1 43 43 GLY CA C 13 43.6 0.1 . 1 . . . . A 79 GLY CA . 30304 1 139 . 1 1 43 43 GLY N N 15 116.4 0.2 . 1 . . . . A 79 GLY N . 30304 1 140 . 1 1 44 44 GLY C C 13 171.6 0.1 . 1 . . . . A 80 GLY C . 30304 1 141 . 1 1 44 44 GLY CA C 13 43.6 0.1 . 1 . . . . A 80 GLY CA . 30304 1 142 . 1 1 44 44 GLY N N 15 109.9 0.2 . 1 . . . . A 80 GLY N . 30304 1 143 . 1 1 45 45 TYR C C 13 177.1 0.1 . 1 . . . . A 81 TYR C . 30304 1 144 . 1 1 45 45 TYR CA C 13 61.6 0.1 . 1 . . . . A 81 TYR CA . 30304 1 145 . 1 1 45 45 TYR CB C 13 39.6 0.1 . 1 . . . . A 81 TYR CB . 30304 1 146 . 1 1 45 45 TYR CG C 13 131.1 0.1 . 1 . . . . A 81 TYR CG . 30304 1 147 . 1 1 45 45 TYR CD1 C 13 131.7 0.1 . 3 . . . . A 81 TYR CD1 . 30304 1 148 . 1 1 45 45 TYR CD2 C 13 131.7 0.1 . 3 . . . . A 81 TYR CD2 . 30304 1 149 . 1 1 45 45 TYR CE1 C 13 117.4 0.1 . 3 . . . . A 81 TYR CE1 . 30304 1 150 . 1 1 45 45 TYR CE2 C 13 117.7 0.1 . 3 . . . . A 81 TYR CE2 . 30304 1 151 . 1 1 45 45 TYR CZ C 13 157.7 0.1 . 1 . . . . A 81 TYR CZ . 30304 1 152 . 1 1 45 45 TYR N N 15 122.0 0.2 . 1 . . . . A 81 TYR N . 30304 1 153 . 1 1 46 46 GLY C C 13 174.9 0.1 . 1 . . . . A 82 GLY C . 30304 1 154 . 1 1 46 46 GLY CA C 13 48.7 0.1 . 1 . . . . A 82 GLY CA . 30304 1 155 . 1 1 46 46 GLY N N 15 110.1 0.2 . 1 . . . . A 82 GLY N . 30304 1 156 . 1 1 47 47 SER C C 13 172.5 0.1 . 1 . . . . A 83 SER C . 30304 1 157 . 1 1 47 47 SER CA C 13 57.5 0.1 . 1 . . . . A 83 SER CA . 30304 1 158 . 1 1 47 47 SER CB C 13 66.0 0.1 . 1 . . . . A 83 SER CB . 30304 1 159 . 1 1 47 47 SER N N 15 109.7 0.2 . 1 . . . . A 83 SER N . 30304 1 160 . 1 1 48 48 SER C C 13 175.0 0.1 . 1 . . . . A 84 SER C . 30304 1 161 . 1 1 48 48 SER CA C 13 55.9 0.1 . 1 . . . . A 84 SER CA . 30304 1 162 . 1 1 48 48 SER CB C 13 67.6 0.1 . 1 . . . . A 84 SER CB . 30304 1 163 . 1 1 48 48 SER N N 15 116.5 0.2 . 1 . . . . A 84 SER N . 30304 1 164 . 1 1 49 49 GLN C C 13 172.3 0.1 . 1 . . . . A 85 GLN C . 30304 1 165 . 1 1 49 49 GLN CA C 13 54.7 0.1 . 1 . . . . A 85 GLN CA . 30304 1 166 . 1 1 49 49 GLN CB C 13 33.4 0.1 . 1 . . . . A 85 GLN CB . 30304 1 167 . 1 1 49 49 GLN CG C 13 34.1 0.1 . 1 . . . . A 85 GLN CG . 30304 1 168 . 1 1 49 49 GLN CD C 13 180.3 0.1 . 1 . . . . A 85 GLN CD . 30304 1 169 . 1 1 49 49 GLN N N 15 128.4 0.2 . 1 . . . . A 85 GLN N . 30304 1 170 . 1 1 50 50 SER C C 13 174.0 0.1 . 1 . . . . A 86 SER C . 30304 1 171 . 1 1 50 50 SER CA C 13 56.0 0.1 . 1 . . . . A 86 SER CA . 30304 1 172 . 1 1 50 50 SER CB C 13 67.0 0.1 . 1 . . . . A 86 SER CB . 30304 1 173 . 1 1 50 50 SER N N 15 120.9 0.2 . 1 . . . . A 86 SER N . 30304 1 174 . 1 1 51 51 SER C C 13 172.9 0.1 . 1 . . . . A 87 SER C . 30304 1 175 . 1 1 51 51 SER CA C 13 58.9 0.1 . 1 . . . . A 87 SER CA . 30304 1 176 . 1 1 51 51 SER CB C 13 65.2 0.1 . 1 . . . . A 87 SER CB . 30304 1 177 . 1 1 51 51 SER N N 15 113.0 0.2 . 1 . . . . A 87 SER N . 30304 1 178 . 1 1 52 52 GLN C C 13 176.4 0.1 . 1 . . . . A 88 GLN C . 30304 1 179 . 1 1 52 52 GLN CA C 13 56.4 0.1 . 1 . . . . A 88 GLN CA . 30304 1 180 . 1 1 52 52 GLN CB C 13 31.9 0.1 . 1 . . . . A 88 GLN CB . 30304 1 181 . 1 1 52 52 GLN CG C 13 34.1 0.1 . 1 . . . . A 88 GLN CG . 30304 1 182 . 1 1 52 52 GLN CD C 13 179.0 0.1 . 1 . . . . A 88 GLN CD . 30304 1 183 . 1 1 52 52 GLN N N 15 120.2 0.2 . 1 . . . . A 88 GLN N . 30304 1 184 . 1 1 53 53 SER C C 13 173.4 0.1 . 1 . . . . A 89 SER C . 30304 1 185 . 1 1 53 53 SER CA C 13 56.6 0.1 . 1 . . . . A 89 SER CA . 30304 1 186 . 1 1 53 53 SER CB C 13 66.0 0.1 . 1 . . . . A 89 SER CB . 30304 1 187 . 1 1 53 53 SER N N 15 117.1 0.2 . 1 . . . . A 89 SER N . 30304 1 188 . 1 1 54 54 SER C C 13 173.1 0.1 . 1 . . . . A 90 SER C . 30304 1 189 . 1 1 54 54 SER CA C 13 54.6 0.1 . 1 . . . . A 90 SER CA . 30304 1 190 . 1 1 54 54 SER CB C 13 64.4 0.1 . 1 . . . . A 90 SER CB . 30304 1 191 . 1 1 54 54 SER N N 15 118.2 0.2 . 1 . . . . A 90 SER N . 30304 1 192 . 1 1 55 55 TYR C C 13 175.8 0.1 . 1 . . . . A 91 TYR C . 30304 1 193 . 1 1 55 55 TYR CA C 13 55.2 0.1 . 1 . . . . A 91 TYR CA . 30304 1 194 . 1 1 55 55 TYR CB C 13 39.2 0.1 . 1 . . . . A 91 TYR CB . 30304 1 195 . 1 1 55 55 TYR CG C 13 129.1 0.1 . 1 . . . . A 91 TYR CG . 30304 1 196 . 1 1 55 55 TYR CD1 C 13 132.6 0.1 . 3 . . . . A 91 TYR CD1 . 30304 1 197 . 1 1 55 55 TYR CD2 C 13 133.4 0.1 . 3 . . . . A 91 TYR CD2 . 30304 1 198 . 1 1 55 55 TYR CE1 C 13 117.1 0.1 . 3 . . . . A 91 TYR CE1 . 30304 1 199 . 1 1 55 55 TYR CZ C 13 157.8 0.1 . 1 . . . . A 91 TYR CZ . 30304 1 200 . 1 1 55 55 TYR N N 15 123.7 0.2 . 1 . . . . A 91 TYR N . 30304 1 201 . 1 1 56 56 GLY C C 13 174.4 0.1 . 1 . . . . A 92 GLY C . 30304 1 202 . 1 1 56 56 GLY CA C 13 46.6 0.1 . 1 . . . . A 92 GLY CA . 30304 1 203 . 1 1 56 56 GLY N N 15 100.3 0.2 . 1 . . . . A 92 GLY N . 30304 1 204 . 1 1 57 57 GLN C C 13 175.6 0.1 . 1 . . . . A 93 GLN C . 30304 1 205 . 1 1 57 57 GLN CA C 13 58.3 0.1 . 1 . . . . A 93 GLN CA . 30304 1 206 . 1 1 57 57 GLN CB C 13 28.7 0.1 . 1 . . . . A 93 GLN CB . 30304 1 207 . 1 1 57 57 GLN CG C 13 36.0 0.1 . 1 . . . . A 93 GLN CG . 30304 1 208 . 1 1 57 57 GLN CD C 13 177.2 0.1 . 1 . . . . A 93 GLN CD . 30304 1 209 . 1 1 57 57 GLN N N 15 116.2 0.2 . 1 . . . . A 93 GLN N . 30304 1 210 . 1 1 58 58 GLN C C 13 175.6 0.1 . 1 . . . . A 94 GLN C . 30304 1 211 . 1 1 58 58 GLN CA C 13 54.8 0.1 . 1 . . . . A 94 GLN CA . 30304 1 212 . 1 1 58 58 GLN CB C 13 34.2 0.1 . 1 . . . . A 94 GLN CB . 30304 1 213 . 1 1 58 58 GLN CD C 13 177.7 0.1 . 1 . . . . A 94 GLN CD . 30304 1 214 . 1 1 58 58 GLN N N 15 117.5 0.2 . 1 . . . . A 94 GLN N . 30304 1 215 . 1 1 59 59 SER C C 13 173.8 0.1 . 1 . . . . A 95 SER C . 30304 1 216 . 1 1 59 59 SER CA C 13 56.2 0.1 . 1 . . . . A 95 SER CA . 30304 1 217 . 1 1 59 59 SER CB C 13 65.2 0.1 . 1 . . . . A 95 SER CB . 30304 1 218 . 1 1 59 59 SER N N 15 121.7 0.2 . 1 . . . . A 95 SER N . 30304 1 stop_ save_