################################### # 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 17584 _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 . _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 1H-15N HSQC' . . . 17584 1 2 '2D 1H-13C HSQC' . . . 17584 1 5 '2D 1H-1H NOESY' . . . 17584 1 7 '2D 1H-1H TOCSY' . . . 17584 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 TRP HB3 H 1 3.26 0.02 . 1 . . . . 1 TRP HB3 . 17584 1 2 . 1 1 1 1 TRP HD1 H 1 7.28 0.02 . 1 . . . . 1 TRP HD1 . 17584 1 3 . 1 1 1 1 TRP HE1 H 1 10.16 0.02 . 1 . . . . 1 TRP HE1 . 17584 1 4 . 1 1 1 1 TRP HE3 H 1 7.47 0.02 . 1 . . . . 1 TRP HE3 . 17584 1 5 . 1 1 1 1 TRP HZ2 H 1 7.45 0.02 . 1 . . . . 1 TRP HZ2 . 17584 1 6 . 1 1 1 1 TRP HZ3 H 1 7.07 0.02 . 1 . . . . 1 TRP HZ3 . 17584 1 7 . 1 1 1 1 TRP HH2 H 1 7.19 0.02 . 1 . . . . 1 TRP HH2 . 17584 1 8 . 1 1 1 1 TRP CB C 13 30.0 0.3 . 1 . . . . 1 TRP CB . 17584 1 9 . 1 1 1 1 TRP CD1 C 13 130.0 0.3 . 1 . . . . 1 TRP CD1 . 17584 1 10 . 1 1 1 1 TRP CE3 C 13 121.6 0.3 . 1 . . . . 1 TRP CE3 . 17584 1 11 . 1 1 1 1 TRP CZ2 C 13 114.7 0.3 . 1 . . . . 1 TRP CZ2 . 17584 1 12 . 1 1 1 1 TRP CZ3 C 13 122.0 0.3 . 1 . . . . 1 TRP CZ3 . 17584 1 13 . 1 1 1 1 TRP CH2 C 13 124.6 0.3 . 1 . . . . 1 TRP CH2 . 17584 1 14 . 1 1 1 1 TRP NE1 N 15 130.5 0.3 . 1 . . . . 1 TRP NE1 . 17584 1 15 . 1 1 2 2 ARG H H 1 8.30 0.02 . 1 . . . . 2 ARG H . 17584 1 16 . 1 1 2 2 ARG HA H 1 4.60 0.02 . 1 . . . . 2 ARG HA . 17584 1 17 . 1 1 2 2 ARG HD2 H 1 3.05 0.02 . 1 . . . . 2 ARG HD2 . 17584 1 18 . 1 1 2 2 ARG CA C 13 57.7 0.3 . 1 . . . . 2 ARG CA . 17584 1 19 . 1 1 2 2 ARG CD C 13 43.4 0.3 . 1 . . . . 2 ARG CD . 17584 1 20 . 1 1 2 2 ARG N N 15 121.6 0.3 . 1 . . . . 2 ARG N . 17584 1 21 . 1 1 4 4 TYR H H 1 8.31 0.02 . 1 . . . . 4 TYR H . 17584 1 22 . 1 1 4 4 TYR HA H 1 4.80 0.02 . 1 . . . . 4 TYR HA . 17584 1 23 . 1 1 4 4 TYR HB2 H 1 3.78 0.02 . 2 . . . . 4 TYR HB2 . 17584 1 24 . 1 1 4 4 TYR HB3 H 1 3.83 0.02 . 2 . . . . 4 TYR HB3 . 17584 1 25 . 1 1 4 4 TYR N N 15 115.5 0.3 . 1 . . . . 4 TYR N . 17584 1 26 . 1 1 5 5 LEU H H 1 8.04 0.02 . 1 . . . . 5 LEU H . 17584 1 27 . 1 1 5 5 LEU HA H 1 4.16 0.02 . 1 . . . . 5 LEU HA . 17584 1 28 . 1 1 5 5 LEU HB2 H 1 1.49 0.02 . 1 . . . . 5 LEU HB2 . 17584 1 29 . 1 1 5 5 LEU HG H 1 1.40 0.02 . 1 . . . . 5 LEU HG . 17584 1 30 . 1 1 5 5 LEU HD11 H 1 0.84 0.02 . 1 . . . . 5 LEU HD1 . 17584 1 31 . 1 1 5 5 LEU HD12 H 1 0.84 0.02 . 1 . . . . 5 LEU HD1 . 17584 1 32 . 1 1 5 5 LEU HD13 H 1 0.84 0.02 . 1 . . . . 5 LEU HD1 . 17584 1 33 . 1 1 5 5 LEU HD21 H 1 0.79 0.02 . 1 . . . . 5 LEU HD2 . 17584 1 34 . 1 1 5 5 LEU HD22 H 1 0.79 0.02 . 1 . . . . 5 LEU HD2 . 17584 1 35 . 1 1 5 5 LEU HD23 H 1 0.79 0.02 . 1 . . . . 5 LEU HD2 . 17584 1 36 . 1 1 5 5 LEU CA C 13 56.8 0.3 . 1 . . . . 5 LEU CA . 17584 1 37 . 1 1 5 5 LEU CB C 13 42.6 0.3 . 1 . . . . 5 LEU CB . 17584 1 38 . 1 1 5 5 LEU CG C 13 26.6 0.3 . 1 . . . . 5 LEU CG . 17584 1 39 . 1 1 5 5 LEU CD1 C 13 24.6 0.3 . 1 . . . . 5 LEU CD1 . 17584 1 40 . 1 1 5 5 LEU CD2 C 13 23.5 0.3 . 1 . . . . 5 LEU CD2 . 17584 1 41 . 1 1 5 5 LEU N N 15 124.2 0.3 . 1 . . . . 5 LEU N . 17584 1 42 . 1 1 6 6 GLN H H 1 8.58 0.02 . 1 . . . . 6 GLN H . 17584 1 43 . 1 1 6 6 GLN HA H 1 4.13 0.02 . 1 . . . . 6 GLN HA . 17584 1 44 . 1 1 6 6 GLN HB3 H 1 1.85 0.02 . 1 . . . . 6 GLN HB3 . 17584 1 45 . 1 1 6 6 GLN HG2 H 1 2.13 0.02 . 2 . . . . 6 GLN HG2 . 17584 1 46 . 1 1 6 6 GLN HG3 H 1 2.02 0.02 . 2 . . . . 6 GLN HG3 . 17584 1 47 . 1 1 6 6 GLN CA C 13 56.7 0.3 . 1 . . . . 6 GLN CA . 17584 1 48 . 1 1 6 6 GLN CB C 13 27.0 0.3 . 1 . . . . 6 GLN CB . 17584 1 49 . 1 1 6 6 GLN CG C 13 32.5 0.3 . 1 . . . . 6 GLN CG . 17584 1 50 . 1 1 6 6 GLN N N 15 120.8 0.3 . 1 . . . . 6 GLN N . 17584 1 51 . 1 1 7 7 THR H H 1 8.03 0.02 . 1 . . . . 7 THR H . 17584 1 52 . 1 1 7 7 THR HA H 1 4.44 0.02 . 1 . . . . 7 THR HA . 17584 1 53 . 1 1 7 7 THR HB H 1 4.22 0.02 . 1 . . . . 7 THR HB . 17584 1 54 . 1 1 7 7 THR HG21 H 1 1.12 0.02 . 1 . . . . 7 THR HG2 . 17584 1 55 . 1 1 7 7 THR HG22 H 1 1.12 0.02 . 1 . . . . 7 THR HG2 . 17584 1 56 . 1 1 7 7 THR HG23 H 1 1.12 0.02 . 1 . . . . 7 THR HG2 . 17584 1 57 . 1 1 7 7 THR CA C 13 57.6 0.3 . 1 . . . . 7 THR CA . 17584 1 58 . 1 1 7 7 THR CG2 C 13 21.6 0.3 . 1 . . . . 7 THR CG2 . 17584 1 59 . 1 1 7 7 THR N N 15 114.7 0.3 . 1 . . . . 7 THR N . 17584 1 60 . 1 1 8 8 GLU H H 1 8.32 0.02 . 1 . . . . 8 GLU H . 17584 1 61 . 1 1 8 8 GLU HA H 1 4.21 0.02 . 1 . . . . 8 GLU HA . 17584 1 62 . 1 1 8 8 GLU HB2 H 1 1.84 0.02 . 1 . . . . 8 GLU HB2 . 17584 1 63 . 1 1 8 8 GLU HG2 H 1 2.09 0.02 . 1 . . . . 8 GLU HG2 . 17584 1 64 . 1 1 8 8 GLU CB C 13 30.2 0.3 . 1 . . . . 8 GLU CB . 17584 1 65 . 1 1 8 8 GLU CG C 13 36.0 0.3 . 1 . . . . 8 GLU CG . 17584 1 66 . 1 1 8 8 GLU N N 15 122.6 0.3 . 1 . . . . 8 GLU N . 17584 1 67 . 1 1 9 9 TYR H H 1 8.09 0.02 . 1 . . . . 9 TYR H . 17584 1 68 . 1 1 9 9 TYR HA H 1 4.43 0.02 . 1 . . . . 9 TYR HA . 17584 1 69 . 1 1 9 9 TYR HB2 H 1 2.90 0.02 . 2 . . . . 9 TYR HB2 . 17584 1 70 . 1 1 9 9 TYR HB3 H 1 2.84 0.02 . 2 . . . . 9 TYR HB3 . 17584 1 71 . 1 1 9 9 TYR HD1 H 1 6.98 0.02 . 1 . . . . 9 TYR HD1 . 17584 1 72 . 1 1 9 9 TYR HE1 H 1 6.76 0.02 . 1 . . . . 9 TYR HE1 . 17584 1 73 . 1 1 9 9 TYR CA C 13 57.6 0.3 . 1 . . . . 9 TYR CA . 17584 1 74 . 1 1 9 9 TYR CB C 13 39.1 0.3 . 1 . . . . 9 TYR CB . 17584 1 75 . 1 1 9 9 TYR CD2 C 13 133.2 0.3 . 1 . . . . 9 TYR CD2 . 17584 1 76 . 1 1 9 9 TYR CE1 C 13 118.3 0.3 . 1 . . . . 9 TYR CE1 . 17584 1 77 . 1 1 9 9 TYR N N 15 120.7 0.3 . 1 . . . . 9 TYR N . 17584 1 78 . 1 1 10 10 TYR H H 1 7.85 0.02 . 1 . . . . 10 TYR H . 17584 1 79 . 1 1 10 10 TYR HA H 1 4.45 0.02 . 1 . . . . 10 TYR HA . 17584 1 80 . 1 1 10 10 TYR HB2 H 1 2.84 0.02 . 2 . . . . 10 TYR HB2 . 17584 1 81 . 1 1 10 10 TYR HB3 H 1 2.97 0.02 . 2 . . . . 10 TYR HB3 . 17584 1 82 . 1 1 10 10 TYR HD1 H 1 7.04 0.02 . 1 . . . . 10 TYR HD1 . 17584 1 83 . 1 1 10 10 TYR HE1 H 1 6.78 0.02 . 1 . . . . 10 TYR HE1 . 17584 1 84 . 1 1 10 10 TYR CA C 13 57.6 0.3 . 1 . . . . 10 TYR CA . 17584 1 85 . 1 1 10 10 TYR CB C 13 39.1 0.3 . 1 . . . . 10 TYR CB . 17584 1 86 . 1 1 10 10 TYR CD2 C 13 133.4 0.3 . 1 . . . . 10 TYR CD2 . 17584 1 87 . 1 1 10 10 TYR CE1 C 13 118.2 0.3 . 1 . . . . 10 TYR CE1 . 17584 1 88 . 1 1 10 10 TYR N N 15 121.8 0.3 . 1 . . . . 10 TYR N . 17584 1 89 . 1 1 11 11 ASP H H 1 8.19 0.02 . 1 . . . . 11 ASP H . 17584 1 90 . 1 1 11 11 ASP HA H 1 4.53 0.02 . 1 . . . . 11 ASP HA . 17584 1 91 . 1 1 11 11 ASP HB2 H 1 2.66 0.02 . 2 . . . . 11 ASP HB2 . 17584 1 92 . 1 1 11 11 ASP HB3 H 1 2.55 0.02 . 2 . . . . 11 ASP HB3 . 17584 1 93 . 1 1 11 11 ASP CA C 13 54.0 0.3 . 1 . . . . 11 ASP CA . 17584 1 94 . 1 1 11 11 ASP CB C 13 41.4 0.3 . 1 . . . . 11 ASP CB . 17584 1 95 . 1 1 11 11 ASP N N 15 122.2 0.3 . 1 . . . . 11 ASP N . 17584 1 96 . 1 1 12 12 VAL H H 1 7.99 0.02 . 1 . . . . 12 VAL H . 17584 1 97 . 1 1 12 12 VAL HA H 1 4.04 0.02 . 1 . . . . 12 VAL HA . 17584 1 98 . 1 1 12 12 VAL HB H 1 2.10 0.02 . 1 . . . . 12 VAL HB . 17584 1 99 . 1 1 12 12 VAL HG21 H 1 0.91 0.02 . 1 . . . . 12 VAL HG2 . 17584 1 100 . 1 1 12 12 VAL HG22 H 1 0.91 0.02 . 1 . . . . 12 VAL HG2 . 17584 1 101 . 1 1 12 12 VAL HG23 H 1 0.91 0.02 . 1 . . . . 12 VAL HG2 . 17584 1 102 . 1 1 12 12 VAL CA C 13 62.5 0.3 . 1 . . . . 12 VAL CA . 17584 1 103 . 1 1 12 12 VAL CB C 13 32.4 0.3 . 1 . . . . 12 VAL CB . 17584 1 104 . 1 1 12 12 VAL CG2 C 13 20.6 0.3 . 1 . . . . 12 VAL CG2 . 17584 1 105 . 1 1 12 12 VAL N N 15 120.2 0.3 . 1 . . . . 12 VAL N . 17584 1 106 . 1 1 13 13 MET H H 1 8.38 0.02 . 1 . . . . 13 MET H . 17584 1 107 . 1 1 13 13 MET HA H 1 4.48 0.02 . 1 . . . . 13 MET HA . 17584 1 108 . 1 1 13 13 MET HB2 H 1 2.48 0.02 . 1 . . . . 13 MET HB2 . 17584 1 109 . 1 1 13 13 MET HG3 H 1 2.58 0.02 . 1 . . . . 13 MET HG3 . 17584 1 110 . 1 1 13 13 MET HE1 H 1 2.04 0.02 . 1 . . . . 13 MET HE . 17584 1 111 . 1 1 13 13 MET HE2 H 1 2.04 0.02 . 1 . . . . 13 MET HE . 17584 1 112 . 1 1 13 13 MET HE3 H 1 2.04 0.02 . 1 . . . . 13 MET HE . 17584 1 113 . 1 1 13 13 MET CA C 13 55.5 0.3 . 1 . . . . 13 MET CA . 17584 1 114 . 1 1 13 13 MET CB C 13 32.2 0.3 . 1 . . . . 13 MET CB . 17584 1 115 . 1 1 13 13 MET CG C 13 32.2 0.3 . 1 . . . . 13 MET CG . 17584 1 116 . 1 1 13 13 MET CE C 13 16.7 0.3 . 1 . . . . 13 MET CE . 17584 1 117 . 1 1 13 13 MET N N 15 122.5 0.3 . 1 . . . . 13 MET N . 17584 1 118 . 1 1 14 14 THR H H 1 8.06 0.02 . 1 . . . . 14 THR H . 17584 1 119 . 1 1 14 14 THR HA H 1 4.26 0.02 . 1 . . . . 14 THR HA . 17584 1 120 . 1 1 14 14 THR HB H 1 4.11 0.02 . 1 . . . . 14 THR HB . 17584 1 121 . 1 1 14 14 THR HG21 H 1 1.15 0.02 . 1 . . . . 14 THR HG2 . 17584 1 122 . 1 1 14 14 THR HG22 H 1 1.15 0.02 . 1 . . . . 14 THR HG2 . 17584 1 123 . 1 1 14 14 THR HG23 H 1 1.15 0.02 . 1 . . . . 14 THR HG2 . 17584 1 124 . 1 1 14 14 THR CA C 13 62.2 0.3 . 1 . . . . 14 THR CA . 17584 1 125 . 1 1 14 14 THR CB C 13 69.6 0.3 . 1 . . . . 14 THR CB . 17584 1 126 . 1 1 14 14 THR CG2 C 13 21.6 0.3 . 1 . . . . 14 THR CG2 . 17584 1 127 . 1 1 14 14 THR N N 15 116.3 0.3 . 1 . . . . 14 THR N . 17584 1 128 . 1 1 15 15 VAL H H 1 8.13 0.02 . 1 . . . . 15 VAL H . 17584 1 129 . 1 1 15 15 VAL HA H 1 4.09 0.02 . 1 . . . . 15 VAL HA . 17584 1 130 . 1 1 15 15 VAL HB H 1 2.02 0.02 . 1 . . . . 15 VAL HB . 17584 1 131 . 1 1 15 15 VAL HG11 H 1 0.87 0.02 . 1 . . . . 15 VAL HG1 . 17584 1 132 . 1 1 15 15 VAL HG12 H 1 0.87 0.02 . 1 . . . . 15 VAL HG1 . 17584 1 133 . 1 1 15 15 VAL HG13 H 1 0.87 0.02 . 1 . . . . 15 VAL HG1 . 17584 1 134 . 1 1 15 15 VAL HG21 H 1 0.90 0.02 . 1 . . . . 15 VAL HG2 . 17584 1 135 . 1 1 15 15 VAL HG22 H 1 0.90 0.02 . 1 . . . . 15 VAL HG2 . 17584 1 136 . 1 1 15 15 VAL HG23 H 1 0.90 0.02 . 1 . . . . 15 VAL HG2 . 17584 1 137 . 1 1 15 15 VAL CA C 13 62.4 0.3 . 1 . . . . 15 VAL CA . 17584 1 138 . 1 1 15 15 VAL CB C 13 36.0 0.3 . 1 . . . . 15 VAL CB . 17584 1 139 . 1 1 15 15 VAL CG1 C 13 21.0 0.3 . 1 . . . . 15 VAL CG1 . 17584 1 140 . 1 1 15 15 VAL CG2 C 13 20.6 0.3 . 1 . . . . 15 VAL CG2 . 17584 1 141 . 1 1 15 15 VAL N N 15 123.8 0.3 . 1 . . . . 15 VAL N . 17584 1 142 . 1 1 16 16 ILE H H 1 8.28 0.02 . 1 . . . . 16 ILE H . 17584 1 143 . 1 1 16 16 ILE HA H 1 4.17 0.02 . 1 . . . . 16 ILE HA . 17584 1 144 . 1 1 16 16 ILE HB H 1 1.90 0.02 . 1 . . . . 16 ILE HB . 17584 1 145 . 1 1 16 16 ILE HG12 H 1 1.43 0.02 . 2 . . . . 16 ILE HG12 . 17584 1 146 . 1 1 16 16 ILE HG13 H 1 1.16 0.02 . 2 . . . . 16 ILE HG13 . 17584 1 147 . 1 1 16 16 ILE HG21 H 1 0.86 0.02 . 1 . . . . 16 ILE HG2 . 17584 1 148 . 1 1 16 16 ILE HG22 H 1 0.86 0.02 . 1 . . . . 16 ILE HG2 . 17584 1 149 . 1 1 16 16 ILE HG23 H 1 0.86 0.02 . 1 . . . . 16 ILE HG2 . 17584 1 150 . 1 1 16 16 ILE HD11 H 1 0.80 0.02 . 1 . . . . 16 ILE HD1 . 17584 1 151 . 1 1 16 16 ILE HD12 H 1 0.80 0.02 . 1 . . . . 16 ILE HD1 . 17584 1 152 . 1 1 16 16 ILE HD13 H 1 0.80 0.02 . 1 . . . . 16 ILE HD1 . 17584 1 153 . 1 1 16 16 ILE CA C 13 60.7 0.3 . 1 . . . . 16 ILE CA . 17584 1 154 . 1 1 16 16 ILE CB C 13 38.6 0.3 . 1 . . . . 16 ILE CB . 17584 1 155 . 1 1 16 16 ILE CG1 C 13 26.8 0.3 . 1 . . . . 16 ILE CG1 . 17584 1 156 . 1 1 16 16 ILE CG2 C 13 17.3 0.3 . 1 . . . . 16 ILE CG2 . 17584 1 157 . 1 1 16 16 ILE CD1 C 13 12.5 0.3 . 1 . . . . 16 ILE CD1 . 17584 1 158 . 1 1 16 16 ILE N N 15 125.7 0.3 . 1 . . . . 16 ILE N . 17584 1 159 . 1 1 17 17 SER H H 1 8.42 0.02 . 1 . . . . 17 SER H . 17584 1 160 . 1 1 17 17 SER HA H 1 4.70 0.02 . 1 . . . . 17 SER HA . 17584 1 161 . 1 1 17 17 SER HB2 H 1 3.82 0.02 . 2 . . . . 17 SER HB2 . 17584 1 162 . 1 1 17 17 SER HB3 H 1 3.70 0.02 . 2 . . . . 17 SER HB3 . 17584 1 163 . 1 1 17 17 SER CA C 13 56.3 0.3 . 1 . . . . 17 SER CA . 17584 1 164 . 1 1 17 17 SER CB C 13 63.2 0.3 . 1 . . . . 17 SER CB . 17584 1 165 . 1 1 17 17 SER N N 15 122.3 0.3 . 1 . . . . 17 SER N . 17584 1 166 . 1 1 20 20 GLU H H 1 8.30 0.02 . 1 . . . . 20 GLU H . 17584 1 167 . 1 1 20 20 GLU HA H 1 4.28 0.02 . 1 . . . . 20 GLU HA . 17584 1 168 . 1 1 20 20 GLU HB2 H 1 1.96 0.02 . 1 . . . . 20 GLU HB2 . 17584 1 169 . 1 1 20 20 GLU HG2 H 1 2.30 0.02 . 1 . . . . 20 GLU HG2 . 17584 1 170 . 1 1 20 20 GLU CA C 13 56.1 0.3 . 1 . . . . 20 GLU CA . 17584 1 171 . 1 1 20 20 GLU CB C 13 27.4 0.3 . 1 . . . . 20 GLU CB . 17584 1 172 . 1 1 20 20 GLU CG C 13 33.9 0.3 . 1 . . . . 20 GLU CG . 17584 1 173 . 1 1 20 20 GLU N N 15 121.0 0.3 . 1 . . . . 20 GLU N . 17584 1 174 . 1 1 21 21 PHE H H 1 8.02 0.02 . 1 . . . . 21 PHE H . 17584 1 175 . 1 1 21 21 PHE HA H 1 4.21 0.02 . 1 . . . . 21 PHE HA . 17584 1 176 . 1 1 21 21 PHE HB3 H 1 2.96 0.02 . 1 . . . . 21 PHE HB3 . 17584 1 177 . 1 1 21 21 PHE HD1 H 1 7.03 0.02 . 1 . . . . 21 PHE HD1 . 17584 1 178 . 1 1 21 21 PHE CA C 13 56.5 0.3 . 1 . . . . 21 PHE CA . 17584 1 179 . 1 1 21 21 PHE CB C 13 38.7 0.3 . 1 . . . . 21 PHE CB . 17584 1 180 . 1 1 21 21 PHE CD2 C 13 133.2 0.3 . 1 . . . . 21 PHE CD2 . 17584 1 181 . 1 1 21 21 PHE N N 15 119.9 0.3 . 1 . . . . 21 PHE N . 17584 1 182 . 1 1 22 22 GLY H H 1 8.31 0.02 . 1 . . . . 22 GLY H . 17584 1 183 . 1 1 22 22 GLY HA2 H 1 3.85 0.02 . 2 . . . . 22 GLY HA2 . 17584 1 184 . 1 1 22 22 GLY HA3 H 1 3.77 0.02 . 2 . . . . 22 GLY HA3 . 17584 1 185 . 1 1 22 22 GLY CA C 13 44.8 0.3 . 1 . . . . 22 GLY CA . 17584 1 186 . 1 1 22 22 GLY N N 15 112.1 0.3 . 1 . . . . 22 GLY N . 17584 1 stop_ save_