################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7262 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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-13C HMQC' 1 $sample_1 isotropic 7262 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 7262 1 3 '2D 1H-1H DQF-COSY' 1 $sample_1 isotropic 7262 1 4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 7262 1 5 '1H15N HSQC' 1 $sample_1 isotropic 7262 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 . . 7262 1 2 $software_2 . . 7262 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 HA H 1 4.09 0.02 . 1 . . . . 1 ALA HA . 7262 1 2 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1 3 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1 4 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1 5 . 1 1 1 1 ALA CA C 13 51.3 0.5 . 1 . . . . 1 ALA CA . 7262 1 6 . 1 1 1 1 ALA CB C 13 19 0.5 . 1 . . . . 1 ALA CB . 7262 1 7 . 1 1 2 2 LEU H H 1 8.59 0.02 . 1 . . . . 2 LEU H . 7262 1 8 . 1 1 2 2 LEU HA H 1 4.33 0.02 . 1 . . . . 2 LEU HA . 7262 1 9 . 1 1 2 2 LEU HB2 H 1 1.6 0.02 . 2 . . . . 2 LEU HB2 . 7262 1 10 . 1 1 2 2 LEU HD11 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1 11 . 1 1 2 2 LEU HD12 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1 12 . 1 1 2 2 LEU HD13 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1 13 . 1 1 2 2 LEU N N 15 124.4 0.5 . 1 . . . . 2 LEU N . 7262 1 14 . 1 1 3 3 ALA H H 1 8.54 0.02 . 1 . . . . 3 ALA H . 7262 1 15 . 1 1 3 3 ALA HA H 1 4.35 0.02 . 1 . . . . 3 ALA HA . 7262 1 16 . 1 1 3 3 ALA HB1 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1 17 . 1 1 3 3 ALA HB2 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1 18 . 1 1 3 3 ALA HB3 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1 19 . 1 1 3 3 ALA CA C 13 52.3 0.5 . 1 . . . . 3 ALA CA . 7262 1 20 . 1 1 3 3 ALA N N 15 124.2 0.5 . 1 . . . . 3 ALA N . 7262 1 21 . 1 1 4 4 ARG H H 1 8.5 0.02 . 1 . . . . 4 ARG H . 7262 1 22 . 1 1 4 4 ARG HA H 1 4.33 0.02 . 1 . . . . 4 ARG HA . 7262 1 23 . 1 1 4 4 ARG HB2 H 1 1.84 0.02 . 2 . . . . 4 ARG HB2 . 7262 1 24 . 1 1 4 4 ARG HB3 H 1 1.76 0.02 . 2 . . . . 4 ARG HB3 . 7262 1 25 . 1 1 4 4 ARG HG2 H 1 1.64 0.02 . 2 . . . . 4 ARG HG2 . 7262 1 26 . 1 1 4 4 ARG HD2 H 1 3.193 0.02 . 2 . . . . 4 ARG HD2 . 7262 1 27 . 1 1 4 4 ARG N N 15 120.6 0.5 . 1 . . . . 4 ARG N . 7262 1 28 . 1 1 5 5 CYS H H 1 8.43 0.02 . 1 . . . . 5 CYS H . 7262 1 29 . 1 1 5 5 CYS HA H 1 4.89 0.02 . 1 . . . . 5 CYS HA . 7262 1 30 . 1 1 5 5 CYS HB2 H 1 3.2 0.02 . 2 . . . . 5 CYS HB2 . 7262 1 31 . 1 1 5 5 CYS HB3 H 1 3.38 0.02 . 2 . . . . 5 CYS HB3 . 7262 1 32 . 1 1 5 5 CYS N N 15 120.1 0.5 . 1 . . . . 5 CYS N . 7262 1 33 . 1 1 6 6 PRO HA H 1 4.42 0.02 . 1 . . . . 6 PRO HA . 7262 1 34 . 1 1 6 6 PRO HB2 H 1 2.16 0.02 . 2 . . . . 6 PRO HB2 . 7262 1 35 . 1 1 6 6 PRO HB3 H 1 2.31 0.02 . 2 . . . . 6 PRO HB3 . 7262 1 36 . 1 1 6 6 PRO HG2 H 1 2 0.02 . 2 . . . . 6 PRO HG2 . 7262 1 37 . 1 1 6 6 PRO HD2 H 1 3.71 0.02 . 2 . . . . 6 PRO HD2 . 7262 1 38 . 1 1 6 6 PRO HD3 H 1 3.84 0.02 . 2 . . . . 6 PRO HD3 . 7262 1 39 . 1 1 6 6 PRO CA C 13 64.3 0.5 . 1 . . . . 6 PRO CA . 7262 1 40 . 1 1 7 7 GLY H H 1 8.87 0.02 . 1 . . . . 7 GLY H . 7262 1 41 . 1 1 7 7 GLY HA2 H 1 3.99 0.02 . 2 . . . . 7 GLY HA2 . 7262 1 42 . 1 1 7 7 GLY HA3 H 1 3.92 0.02 . 2 . . . . 7 GLY HA3 . 7262 1 43 . 1 1 7 7 GLY CA C 13 45.1 0.5 . 1 . . . . 7 GLY CA . 7262 1 44 . 1 1 7 7 GLY N N 15 110.7 0.5 . 1 . . . . 7 GLY N . 7262 1 45 . 1 1 8 8 CYS H H 1 7.93 0.02 . 1 . . . . 8 CYS H . 7262 1 46 . 1 1 8 8 CYS HA H 1 4.46 0.02 . 1 . . . . 8 CYS HA . 7262 1 47 . 1 1 8 8 CYS HB2 H 1 3.2 0.02 . 2 . . . . 8 CYS HB2 . 7262 1 48 . 1 1 8 8 CYS HB3 H 1 3.42 0.02 . 2 . . . . 8 CYS HB3 . 7262 1 49 . 1 1 8 8 CYS CA C 13 58.3 0.5 . 1 . . . . 8 CYS CA . 7262 1 50 . 1 1 8 8 CYS CB C 13 38.3 0.5 . 1 . . . . 8 CYS CB . 7262 1 51 . 1 1 8 8 CYS N N 15 119.2 0.5 . 1 . . . . 8 CYS N . 7262 1 52 . 1 1 9 9 GLY H H 1 8.66 0.02 . 1 . . . . 9 GLY H . 7262 1 53 . 1 1 9 9 GLY HA2 H 1 3.97 0.02 . 2 . . . . 9 GLY HA2 . 7262 1 54 . 1 1 9 9 GLY N N 15 109.8 0.5 . 1 . . . . 9 GLY N . 7262 1 55 . 1 1 10 10 GLN H H 1 8.38 0.02 . 1 . . . . 10 GLN H . 7262 1 56 . 1 1 10 10 GLN HA H 1 4.34 0.02 . 1 . . . . 10 GLN HA . 7262 1 57 . 1 1 10 10 GLN HB2 H 1 2.15 0.02 . 2 . . . . 10 GLN HB2 . 7262 1 58 . 1 1 10 10 GLN HB3 H 1 1.98 0.02 . 2 . . . . 10 GLN HB3 . 7262 1 59 . 1 1 10 10 GLN HG2 H 1 2.36 0.02 . 2 . . . . 10 GLN HG2 . 7262 1 60 . 1 1 10 10 GLN HE21 H 1 7.56 0.02 . 2 . . . . 10 GLN HE21 . 7262 1 61 . 1 1 11 11 GLY H H 1 8.56 0.02 . 1 . . . . 11 GLY H . 7262 1 62 . 1 1 11 11 GLY HA2 H 1 3.98 0.02 . 2 . . . . 11 GLY HA2 . 7262 1 63 . 1 1 11 11 GLY N N 15 110.2 0.5 . 1 . . . . 11 GLY N . 7262 1 64 . 1 1 12 12 VAL H H 1 8.13 0.02 . 1 . . . . 12 VAL H . 7262 1 65 . 1 1 12 12 VAL HA H 1 4.11 0.02 . 1 . . . . 12 VAL HA . 7262 1 66 . 1 1 12 12 VAL HB H 1 2.08 0.02 . 1 . . . . 12 VAL HB . 7262 1 67 . 1 1 12 12 VAL HG11 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1 68 . 1 1 12 12 VAL HG12 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1 69 . 1 1 12 12 VAL HG13 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1 70 . 1 1 12 12 VAL CA C 13 62.3 0.5 . 1 . . . . 12 VAL CA . 7262 1 71 . 1 1 12 12 VAL CB C 13 32.5 0.5 . 1 . . . . 12 VAL CB . 7262 1 72 . 1 1 12 12 VAL N N 15 119.6 0.5 . 1 . . . . 12 VAL N . 7262 1 73 . 1 1 13 13 GLN H H 1 8.55 0.02 . 1 . . . . 13 GLN H . 7262 1 74 . 1 1 13 13 GLN HA H 1 4.35 0.02 . 1 . . . . 13 GLN HA . 7262 1 75 . 1 1 13 13 GLN HB2 H 1 2.11 0.02 . 2 . . . . 13 GLN HB2 . 7262 1 76 . 1 1 13 13 GLN HB3 H 1 1.98 0.02 . 2 . . . . 13 GLN HB3 . 7262 1 77 . 1 1 13 13 GLN HG2 H 1 2.38 0.02 . 2 . . . . 13 GLN HG2 . 7262 1 78 . 1 1 13 13 GLN CA C 13 54.8 0.5 . 1 . . . . 13 GLN CA . 7262 1 79 . 1 1 13 13 GLN CB C 13 28.9 0.5 . 1 . . . . 13 GLN CB . 7262 1 80 . 1 1 13 13 GLN N N 15 121.9 0.5 . 1 . . . . 13 GLN N . 7262 1 81 . 1 1 14 14 ALA H H 1 8.4 0.02 . 1 . . . . 14 ALA H . 7262 1 82 . 1 1 14 14 ALA HA H 1 4.34 0.02 . 1 . . . . 14 ALA HA . 7262 1 83 . 1 1 14 14 ALA HB1 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1 84 . 1 1 14 14 ALA HB2 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1 85 . 1 1 14 14 ALA HB3 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1 86 . 1 1 14 14 ALA CA C 13 52 0.5 . 1 . . . . 14 ALA CA . 7262 1 87 . 1 1 14 14 ALA N N 15 125.6 0.5 . 1 . . . . 14 ALA N . 7262 1 88 . 1 1 15 15 GLY H H 1 8.45 0.02 . 1 . . . . 15 GLY H . 7262 1 89 . 1 1 15 15 GLY HA2 H 1 3.97 0.02 . 2 . . . . 15 GLY HA2 . 7262 1 90 . 1 1 15 15 GLY N N 15 107.7 0.5 . 1 . . . . 15 GLY N . 7262 1 91 . 1 1 16 16 CYS H H 1 8.2 0.02 . 1 . . . . 16 CYS H . 7262 1 92 . 1 1 16 16 CYS HA H 1 4.9 0.02 . 1 . . . . 16 CYS HA . 7262 1 93 . 1 1 16 16 CYS HB2 H 1 3.26 0.02 . 2 . . . . 16 CYS HB2 . 7262 1 94 . 1 1 16 16 CYS HB3 H 1 2.85 0.02 . 2 . . . . 16 CYS HB3 . 7262 1 95 . 1 1 16 16 CYS N N 15 118.2 0.5 . 1 . . . . 16 CYS N . 7262 1 96 . 1 1 17 17 PRO HA H 1 4.4 0.02 . 1 . . . . 17 PRO HA . 7262 1 97 . 1 1 17 17 PRO HB2 H 1 2.1 0.02 . 2 . . . . 17 PRO HB2 . 7262 1 98 . 1 1 17 17 PRO HB3 H 1 2.25 0.02 . 2 . . . . 17 PRO HB3 . 7262 1 99 . 1 1 17 17 PRO HG2 H 1 1.99 0.02 . 2 . . . . 17 PRO HG2 . 7262 1 100 . 1 1 17 17 PRO HD2 H 1 3.67 0.02 . 2 . . . . 17 PRO HD2 . 7262 1 101 . 1 1 17 17 PRO HD3 H 1 3.76 0.02 . 2 . . . . 17 PRO HD3 . 7262 1 102 . 1 1 17 17 PRO CA C 13 64.1 0.5 . 1 . . . . 17 PRO CA . 7262 1 103 . 1 1 18 18 GLY H H 1 8.79 0.02 . 1 . . . . 18 GLY H . 7262 1 104 . 1 1 18 18 GLY HA2 H 1 4.06 0.02 . 2 . . . . 18 GLY HA2 . 7262 1 105 . 1 1 18 18 GLY HA3 H 1 3.89 0.02 . 2 . . . . 18 GLY HA3 . 7262 1 106 . 1 1 18 18 GLY CA C 13 45.1 0.5 . 1 . . . . 18 GLY CA . 7262 1 107 . 1 1 18 18 GLY N N 15 112.1 0.5 . 1 . . . . 18 GLY N . 7262 1 108 . 1 1 19 19 GLY H H 1 8.08 0.02 . 1 . . . . 19 GLY H . 7262 1 109 . 1 1 19 19 GLY HA2 H 1 3.79 0.02 . 2 . . . . 19 GLY HA2 . 7262 1 110 . 1 1 19 19 GLY HA3 H 1 4.38 0.02 . 2 . . . . 19 GLY HA3 . 7262 1 111 . 1 1 19 19 GLY CA C 13 43.4 0.5 . 1 . . . . 19 GLY CA . 7262 1 112 . 1 1 19 19 GLY N N 15 109.6 0.5 . 1 . . . . 19 GLY N . 7262 1 113 . 1 1 20 20 CYS H H 1 8.75 0.02 . 1 . . . . 20 CYS H . 7262 1 114 . 1 1 20 20 CYS HA H 1 4.65 0.02 . 1 . . . . 20 CYS HA . 7262 1 115 . 1 1 20 20 CYS HB2 H 1 2.98 0.02 . 2 . . . . 20 CYS HB2 . 7262 1 116 . 1 1 20 20 CYS HB3 H 1 3.36 0.02 . 2 . . . . 20 CYS HB3 . 7262 1 117 . 1 1 20 20 CYS CA C 13 55.1 0.5 . 1 . . . . 20 CYS CA . 7262 1 118 . 1 1 20 20 CYS CB C 13 41.7 0.5 . 1 . . . . 20 CYS CB . 7262 1 119 . 1 1 20 20 CYS N N 15 120.7 0.5 . 1 . . . . 20 CYS N . 7262 1 120 . 1 1 21 21 VAL H H 1 8.4 0.02 . 1 . . . . 21 VAL H . 7262 1 121 . 1 1 21 21 VAL HA H 1 4.1 0.02 . 1 . . . . 21 VAL HA . 7262 1 122 . 1 1 21 21 VAL HB H 1 2.05 0.02 . 1 . . . . 21 VAL HB . 7262 1 123 . 1 1 21 21 VAL HG11 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1 124 . 1 1 21 21 VAL HG12 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1 125 . 1 1 21 21 VAL HG13 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1 126 . 1 1 21 21 VAL N N 15 121.3 0.5 . 1 . . . . 21 VAL N . 7262 1 127 . 1 1 22 22 GLU H H 1 8.58 0.02 . 1 . . . . 22 GLU H . 7262 1 128 . 1 1 22 22 GLU HA H 1 4.33 0.02 . 1 . . . . 22 GLU HA . 7262 1 129 . 1 1 22 22 GLU HB2 H 1 1.96 0.02 . 2 . . . . 22 GLU HB2 . 7262 1 130 . 1 1 22 22 GLU HB3 H 1 2.06 0.02 . 2 . . . . 22 GLU HB3 . 7262 1 131 . 1 1 22 22 GLU HG2 H 1 2.39 0.02 . 2 . . . . 22 GLU HG2 . 7262 1 132 . 1 1 23 23 GLU H H 1 8.46 0.02 . 1 . . . . 23 GLU H . 7262 1 133 . 1 1 23 23 GLU HA H 1 4.34 0.02 . 1 . . . . 23 GLU HA . 7262 1 134 . 1 1 23 23 GLU HB2 H 1 1.97 0.02 . 2 . . . . 23 GLU HB2 . 7262 1 135 . 1 1 23 23 GLU HB3 H 1 2.08 0.02 . 2 . . . . 23 GLU HB3 . 7262 1 136 . 1 1 23 23 GLU HG2 H 1 2.4 0.02 . 2 . . . . 23 GLU HG2 . 7262 1 137 . 1 1 23 23 GLU N N 15 122 0.5 . 1 . . . . 23 GLU N . 7262 1 138 . 1 1 24 24 GLU H H 1 8.54 0.02 . 1 . . . . 24 GLU H . 7262 1 139 . 1 1 24 24 GLU HA H 1 4.36 0.02 . 1 . . . . 24 GLU HA . 7262 1 140 . 1 1 24 24 GLU HB2 H 1 1.98 0.02 . 2 . . . . 24 GLU HB2 . 7262 1 141 . 1 1 24 24 GLU HB3 H 1 2.1 0.02 . 2 . . . . 24 GLU HB3 . 7262 1 142 . 1 1 24 24 GLU HG2 H 1 2.4 0.02 . 2 . . . . 24 GLU HG2 . 7262 1 143 . 1 1 24 24 GLU N N 15 126.1 0.5 . 1 . . . . 24 GLU N . 7262 1 144 . 1 1 25 25 ASP H H 1 8.54 0.02 . 1 . . . . 25 ASP H . 7262 1 145 . 1 1 25 25 ASP HA H 1 4.67 0.02 . 1 . . . . 25 ASP HA . 7262 1 146 . 1 1 25 25 ASP HB2 H 1 2.8 0.02 . 2 . . . . 25 ASP HB2 . 7262 1 147 . 1 1 25 25 ASP CA C 13 53.5 0.5 . 1 . . . . 25 ASP CA . 7262 1 148 . 1 1 25 25 ASP CB C 13 39.6 0.5 . 1 . . . . 25 ASP CB . 7262 1 149 . 1 1 25 25 ASP N N 15 121 0.5 . 1 . . . . 25 ASP N . 7262 1 150 . 1 1 26 26 GLY H H 1 8.46 0.02 . 1 . . . . 26 GLY H . 7262 1 151 . 1 1 26 26 GLY HA2 H 1 3.97 0.02 . 2 . . . . 26 GLY HA2 . 7262 1 152 . 1 1 26 26 GLY CA C 13 45 0.5 . 1 . . . . 26 GLY CA . 7262 1 153 . 1 1 27 27 GLY H H 1 8.29 0.02 . 1 . . . . 27 GLY H . 7262 1 154 . 1 1 27 27 GLY HA2 H 1 3.98 0.02 . 2 . . . . 27 GLY HA2 . 7262 1 155 . 1 1 27 27 GLY N N 15 108.5 0.5 . 1 . . . . 27 GLY N . 7262 1 156 . 1 1 28 28 SER H H 1 8.24 0.02 . 1 . . . . 28 SER H . 7262 1 157 . 1 1 28 28 SER HA H 1 4.8 0.02 . 1 . . . . 28 SER HA . 7262 1 158 . 1 1 28 28 SER HB2 H 1 3.85 0.02 . 2 . . . . 28 SER HB2 . 7262 1 159 . 1 1 28 28 SER CA C 13 56.2 0.5 . 1 . . . . 28 SER CA . 7262 1 160 . 1 1 28 28 SER CB C 13 63.2 0.5 . 1 . . . . 28 SER CB . 7262 1 161 . 1 1 28 28 SER N N 15 116.7 0.5 . 1 . . . . 28 SER N . 7262 1 162 . 1 1 29 29 PRO HA H 1 4.43 0.02 . 1 . . . . 29 PRO HA . 7262 1 163 . 1 1 29 29 PRO HB2 H 1 2.29 0.02 . 2 . . . . 29 PRO HB2 . 7262 1 164 . 1 1 29 29 PRO HG2 H 1 1.95 0.02 . 2 . . . . 29 PRO HG2 . 7262 1 165 . 1 1 29 29 PRO HD2 H 1 3.71 0.02 . 2 . . . . 29 PRO HD2 . 7262 1 166 . 1 1 29 29 PRO CA C 13 63.3 0.5 . 1 . . . . 29 PRO CA . 7262 1 167 . 1 1 29 29 PRO CB C 13 34 0.5 . 1 . . . . 29 PRO CB . 7262 1 168 . 1 1 30 30 ALA H H 1 8.41 0.02 . 1 . . . . 30 ALA H . 7262 1 169 . 1 1 30 30 ALA HA H 1 4.28 0.02 . 1 . . . . 30 ALA HA . 7262 1 170 . 1 1 30 30 ALA HB1 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1 171 . 1 1 30 30 ALA HB2 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1 172 . 1 1 30 30 ALA HB3 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1 173 . 1 1 30 30 ALA CA C 13 52.4 0.5 . 1 . . . . 30 ALA CA . 7262 1 174 . 1 1 30 30 ALA CB C 13 18.9 0.5 . 1 . . . . 30 ALA CB . 7262 1 175 . 1 1 30 30 ALA N N 15 124.1 0.5 . 1 . . . . 30 ALA N . 7262 1 176 . 1 1 31 31 GLU H H 1 8.32 0.02 . 1 . . . . 31 GLU H . 7262 1 177 . 1 1 31 31 GLU HA H 1 4.33 0.02 . 1 . . . . 31 GLU HA . 7262 1 178 . 1 1 31 31 GLU HB2 H 1 1.99 0.02 . 2 . . . . 31 GLU HB2 . 7262 1 179 . 1 1 31 31 GLU HB3 H 1 2.12 0.02 . 2 . . . . 31 GLU HB3 . 7262 1 180 . 1 1 31 31 GLU HG2 H 1 2.41 0.02 . 2 . . . . 31 GLU HG2 . 7262 1 181 . 1 1 32 32 GLY H H 1 8.45 0.02 . 1 . . . . 32 GLY H . 7262 1 182 . 1 1 32 32 GLY HA2 H 1 3.96 0.02 . 2 . . . . 32 GLY HA2 . 7262 1 183 . 1 1 33 33 CYS H H 1 8.32 0.02 . 1 . . . . 33 CYS H . 7262 1 184 . 1 1 33 33 CYS HA H 1 4.65 0.02 . 1 . . . . 33 CYS HA . 7262 1 185 . 1 1 33 33 CYS HB2 H 1 3.12 0.02 . 2 . . . . 33 CYS HB2 . 7262 1 186 . 1 1 33 33 CYS CA C 13 55.3 0.5 . 1 . . . . 33 CYS CA . 7262 1 187 . 1 1 33 33 CYS CB C 13 41.5 0.5 . 1 . . . . 33 CYS CB . 7262 1 188 . 1 1 33 33 CYS N N 15 118.7 0.5 . 1 . . . . 33 CYS N . 7262 1 189 . 1 1 34 34 ALA H H 1 8.77 0.02 . 1 . . . . 34 ALA H . 7262 1 190 . 1 1 34 34 ALA HA H 1 4.39 0.02 . 1 . . . . 34 ALA HA . 7262 1 191 . 1 1 34 34 ALA HB1 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1 192 . 1 1 34 34 ALA HB2 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1 193 . 1 1 34 34 ALA HB3 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1 194 . 1 1 34 34 ALA CA C 13 52.6 0.5 . 1 . . . . 34 ALA CA . 7262 1 195 . 1 1 34 34 ALA CB C 13 18.7 0.5 . 1 . . . . 34 ALA CB . 7262 1 196 . 1 1 34 34 ALA N N 15 127.9 0.5 . 1 . . . . 34 ALA N . 7262 1 197 . 1 1 35 35 GLU H H 1 8.05 0.02 . 1 . . . . 35 GLU H . 7262 1 198 . 1 1 35 35 GLU HA H 1 4.32 0.02 . 1 . . . . 35 GLU HA . 7262 1 199 . 1 1 35 35 GLU HB2 H 1 2.01 0.02 . 2 . . . . 35 GLU HB2 . 7262 1 200 . 1 1 35 35 GLU HB3 H 1 2.17 0.02 . 2 . . . . 35 GLU HB3 . 7262 1 201 . 1 1 35 35 GLU HG2 H 1 2.42 0.02 . 2 . . . . 35 GLU HG2 . 7262 1 202 . 1 1 35 35 GLU N N 15 119 0.5 . 1 . . . . 35 GLU N . 7262 1 203 . 1 1 36 36 ALA H H 1 8.61 0.02 . 1 . . . . 36 ALA H . 7262 1 204 . 1 1 36 36 ALA HA H 1 4.17 0.02 . 1 . . . . 36 ALA HA . 7262 1 205 . 1 1 36 36 ALA HB1 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1 206 . 1 1 36 36 ALA HB2 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1 207 . 1 1 36 36 ALA HB3 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1 208 . 1 1 36 36 ALA CA C 13 53.8 0.5 . 1 . . . . 36 ALA CA . 7262 1 209 . 1 1 36 36 ALA CB C 13 18.4 0.5 . 1 . . . . 36 ALA CB . 7262 1 210 . 1 1 36 36 ALA N N 15 124.5 0.5 . 1 . . . . 36 ALA N . 7262 1 211 . 1 1 37 37 GLU H H 1 8.28 0.02 . 1 . . . . 37 GLU H . 7262 1 212 . 1 1 37 37 GLU HA H 1 4.33 0.02 . 1 . . . . 37 GLU HA . 7262 1 213 . 1 1 37 37 GLU HB2 H 1 2.07 0.02 . 2 . . . . 37 GLU HB2 . 7262 1 214 . 1 1 37 37 GLU HB3 H 1 2.188 0.02 . 2 . . . . 37 GLU HB3 . 7262 1 215 . 1 1 37 37 GLU HG2 H 1 2.41 0.02 . 2 . . . . 37 GLU HG2 . 7262 1 216 . 1 1 37 37 GLU N N 15 116.2 0.5 . 1 . . . . 37 GLU N . 7262 1 217 . 1 1 38 38 GLY H H 1 8.18 0.02 . 1 . . . . 38 GLY H . 7262 1 218 . 1 1 38 38 GLY HA2 H 1 4.14 0.02 . 2 . . . . 38 GLY HA2 . 7262 1 219 . 1 1 38 38 GLY HA3 H 1 3.83 0.02 . 2 . . . . 38 GLY HA3 . 7262 1 220 . 1 1 38 38 GLY CA C 13 45.1 0.5 . 1 . . . . 38 GLY CA . 7262 1 221 . 1 1 38 38 GLY N N 15 108.4 0.5 . 1 . . . . 38 GLY N . 7262 1 222 . 1 1 39 39 CYS H H 1 8.17 0.02 . 1 . . . . 39 CYS H . 7262 1 223 . 1 1 39 39 CYS HA H 1 4.62 0.02 . 1 . . . . 39 CYS HA . 7262 1 224 . 1 1 39 39 CYS HB2 H 1 3.19 0.02 . 2 . . . . 39 CYS HB2 . 7262 1 225 . 1 1 39 39 CYS HB3 H 1 3.12 0.02 . 2 . . . . 39 CYS HB3 . 7262 1 226 . 1 1 39 39 CYS CA C 13 56.2 0.5 . 1 . . . . 39 CYS CA . 7262 1 227 . 1 1 39 39 CYS CB C 13 41.4 0.5 . 1 . . . . 39 CYS CB . 7262 1 228 . 1 1 39 39 CYS N N 15 117.8 0.5 . 1 . . . . 39 CYS N . 7262 1 229 . 1 1 40 40 LEU H H 1 8.37 0.02 . 1 . . . . 40 LEU H . 7262 1 230 . 1 1 40 40 LEU HA H 1 4.34 0.02 . 1 . . . . 40 LEU HA . 7262 1 231 . 1 1 40 40 LEU HB2 H 1 1.63 0.02 . 2 . . . . 40 LEU HB2 . 7262 1 232 . 1 1 40 40 LEU HD11 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1 233 . 1 1 40 40 LEU HD12 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1 234 . 1 1 40 40 LEU HD13 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1 235 . 1 1 40 40 LEU HD21 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1 236 . 1 1 40 40 LEU HD22 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1 237 . 1 1 40 40 LEU HD23 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1 238 . 1 1 40 40 LEU N N 15 124.3 0.5 . 1 . . . . 40 LEU N . 7262 1 239 . 1 1 41 41 ARG H H 1 8.36 0.02 . 1 . . . . 41 ARG H . 7262 1 240 . 1 1 41 41 ARG HA H 1 4.35 0.02 . 1 . . . . 41 ARG HA . 7262 1 241 . 1 1 41 41 ARG HB2 H 1 1.82 0.02 . 2 . . . . 41 ARG HB2 . 7262 1 242 . 1 1 41 41 ARG HB3 H 1 1.75 0.02 . 2 . . . . 41 ARG HB3 . 7262 1 243 . 1 1 41 41 ARG HG2 H 1 1.63 0.02 . 2 . . . . 41 ARG HG2 . 7262 1 244 . 1 1 41 41 ARG HD2 H 1 3.19 0.02 . 2 . . . . 41 ARG HD2 . 7262 1 245 . 1 1 41 41 ARG HE H 1 7.28 0.02 . 1 . . . . 41 ARG HE . 7262 1 246 . 1 1 41 41 ARG N N 15 122.5 0.5 . 1 . . . . 41 ARG N . 7262 1 247 . 1 1 42 42 ARG H H 1 8.47 0.02 . 1 . . . . 42 ARG H . 7262 1 248 . 1 1 42 42 ARG HA H 1 4.34 0.02 . 1 . . . . 42 ARG HA . 7262 1 249 . 1 1 42 42 ARG HB2 H 1 1.83 0.02 . 2 . . . . 42 ARG HB2 . 7262 1 250 . 1 1 42 42 ARG HB3 H 1 1.74 0.02 . 2 . . . . 42 ARG HB3 . 7262 1 251 . 1 1 42 42 ARG HG2 H 1 1.64 0.02 . 2 . . . . 42 ARG HG2 . 7262 1 252 . 1 1 42 42 ARG HD2 H 1 3.19 0.02 . 2 . . . . 42 ARG HD2 . 7262 1 253 . 1 1 42 42 ARG HE H 1 7.24 0.02 . 1 . . . . 42 ARG HE . 7262 1 254 . 1 1 42 42 ARG N N 15 123.3 0.5 . 1 . . . . 42 ARG N . 7262 1 255 . 1 1 43 43 GLU H H 1 8.57 0.02 . 1 . . . . 43 GLU H . 7262 1 256 . 1 1 43 43 GLU HA H 1 4.33 0.02 . 1 . . . . 43 GLU HA . 7262 1 257 . 1 1 43 43 GLU HB2 H 1 1.99 0.02 . 2 . . . . 43 GLU HB2 . 7262 1 258 . 1 1 43 43 GLU HB3 H 1 2.09 0.02 . 2 . . . . 43 GLU HB3 . 7262 1 259 . 1 1 43 43 GLU HG2 H 1 2.39 0.02 . 2 . . . . 43 GLU HG2 . 7262 1 260 . 1 1 44 44 GLY H H 1 8.59 0.02 . 1 . . . . 44 GLY H . 7262 1 261 . 1 1 44 44 GLY HA2 H 1 4.01 0.02 . 2 . . . . 44 GLY HA2 . 7262 1 262 . 1 1 44 44 GLY HA3 H 1 3.9 0.02 . 2 . . . . 44 GLY HA3 . 7262 1 263 . 1 1 44 44 GLY N N 15 111.1 0.5 . 1 . . . . 44 GLY N . 7262 1 264 . 1 1 45 45 GLN H H 1 7.95 0.02 . 1 . . . . 45 GLN H . 7262 1 265 . 1 1 45 45 GLN HA H 1 4.21 0.02 . 1 . . . . 45 GLN HA . 7262 1 266 . 1 1 45 45 GLN HB2 H 1 2.14 0.02 . 2 . . . . 45 GLN HB2 . 7262 1 267 . 1 1 45 45 GLN HB3 H 1 1.94 0.02 . 2 . . . . 45 GLN HB3 . 7262 1 268 . 1 1 45 45 GLN HG2 H 1 2.28 0.02 . 2 . . . . 45 GLN HG2 . 7262 1 269 . 1 1 45 45 GLN CA C 13 56.7 0.5 . 1 . . . . 45 GLN CA . 7262 1 270 . 1 1 45 45 GLN CB C 13 30.1 0.5 . 1 . . . . 45 GLN CB . 7262 1 271 . 1 1 45 45 GLN N N 15 124.4 0.5 . 1 . . . . 45 GLN N . 7262 1 stop_ save_