################################### # 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 7321 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '1H15N HSQC' 1 $sample_1 isotropic 7321 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 2 2 SER HA H 1 4.33 0.01 . 1 . . . . 2 SER HA . 7321 1 2 . 1 1 2 2 SER HB2 H 1 3.95 0.01 . 1 . . . . 2 SER HB2 . 7321 1 3 . 1 1 2 2 SER HB3 H 1 3.95 0.01 . 1 . . . . 2 SER HB3 . 7321 1 4 . 1 1 2 2 SER CA C 13 59.1 0.2 . 1 . . . . 2 SER CA . 7321 1 5 . 1 1 3 3 GLN HA H 1 4.35 0.01 . 1 . . . . 3 GLN HA . 7321 1 6 . 1 1 3 3 GLN HB2 H 1 2.17 0.01 . 2 . . . . 3 GLN HB2 . 7321 1 7 . 1 1 3 3 GLN HB3 H 1 2.03 0.01 . 2 . . . . 3 GLN HB3 . 7321 1 8 . 1 1 3 3 GLN HG2 H 1 2.40 0.01 . 1 . . . . 3 GLN HG2 . 7321 1 9 . 1 1 3 3 GLN HG3 H 1 2.40 0.01 . 1 . . . . 3 GLN HG3 . 7321 1 10 . 1 1 3 3 GLN CA C 13 56.5 0.2 . 1 . . . . 3 GLN CA . 7321 1 11 . 1 1 3 3 GLN CB C 13 29.5 0.2 . 1 . . . . 3 GLN CB . 7321 1 12 . 1 1 3 3 GLN CG C 13 34.1 0.2 . 1 . . . . 3 GLN CG . 7321 1 13 . 1 1 4 4 ASP H H 1 8.17 0.01 . 1 . . . . 4 ASP HN . 7321 1 14 . 1 1 4 4 ASP HA H 1 4.61 0.01 . 1 . . . . 4 ASP HA . 7321 1 15 . 1 1 4 4 ASP HB2 H 1 2.75 0.01 . 2 . . . . 4 ASP HB2 . 7321 1 16 . 1 1 4 4 ASP HB3 H 1 2.61 0.01 . 2 . . . . 4 ASP HB3 . 7321 1 17 . 1 1 4 4 ASP CA C 13 54.6 0.2 . 1 . . . . 4 ASP CA . 7321 1 18 . 1 1 4 4 ASP CB C 13 41.4 0.2 . 1 . . . . 4 ASP CB . 7321 1 19 . 1 1 4 4 ASP N N 15 121.4 0.2 . 1 . . . . 4 ASP N . 7321 1 20 . 1 1 5 5 VAL H H 1 8.06 0.01 . 1 . . . . 5 VAL HN . 7321 1 21 . 1 1 5 5 VAL HA H 1 4.08 0.01 . 1 . . . . 5 VAL HA . 7321 1 22 . 1 1 5 5 VAL HB H 1 2.06 0.01 . 1 . . . . 5 VAL HB . 7321 1 23 . 1 1 5 5 VAL HG11 H 1 0.92 0.01 . 2 . . . . 5 VAL HG1 . 7321 1 24 . 1 1 5 5 VAL HG12 H 1 0.92 0.01 . 2 . . . . 5 VAL HG1 . 7321 1 25 . 1 1 5 5 VAL HG13 H 1 0.92 0.01 . 2 . . . . 5 VAL HG1 . 7321 1 26 . 1 1 5 5 VAL HG21 H 1 0.92 0.01 . 2 . . . . 5 VAL HG2 . 7321 1 27 . 1 1 5 5 VAL HG22 H 1 0.92 0.01 . 2 . . . . 5 VAL HG2 . 7321 1 28 . 1 1 5 5 VAL HG23 H 1 0.92 0.01 . 2 . . . . 5 VAL HG2 . 7321 1 29 . 1 1 5 5 VAL CA C 13 62.4 0.2 . 1 . . . . 5 VAL CA . 7321 1 30 . 1 1 5 5 VAL CB C 13 32.9 0.2 . 1 . . . . 5 VAL CB . 7321 1 31 . 1 1 5 5 VAL CG1 C 13 21.4 0.2 . 1 . . . . 5 VAL CG1 . 7321 1 32 . 1 1 5 5 VAL N N 15 120.9 0.2 . 1 . . . . 5 VAL N . 7321 1 33 . 1 1 6 6 LYS H H 1 8.31 0.01 . 1 . . . . 6 LYS HN . 7321 1 34 . 1 1 6 6 LYS HA H 1 4.43 0.01 . 1 . . . . 6 LYS HA . 7321 1 35 . 1 1 6 6 LYS HB2 H 1 1.80 0.01 . 1 . . . . 6 LYS HB2 . 7321 1 36 . 1 1 6 6 LYS HB3 H 1 1.80 0.01 . 1 . . . . 6 LYS HB3 . 7321 1 37 . 1 1 6 6 LYS HG2 H 1 1.44 0.01 . 1 . . . . 6 LYS HG2 . 7321 1 38 . 1 1 6 6 LYS HG3 H 1 1.44 0.01 . 1 . . . . 6 LYS HG3 . 7321 1 39 . 1 1 6 6 LYS HD2 H 1 1.70 0.01 . 1 . . . . 6 LYS HD2 . 7321 1 40 . 1 1 6 6 LYS HD3 H 1 1.70 0.01 . 1 . . . . 6 LYS HD3 . 7321 1 41 . 1 1 6 6 LYS HE2 H 1 3.01 0.01 . 1 . . . . 6 LYS HE2 . 7321 1 42 . 1 1 6 6 LYS HE3 H 1 3.01 0.01 . 1 . . . . 6 LYS HE3 . 7321 1 43 . 1 1 6 6 LYS CA C 13 55.9 0.2 . 1 . . . . 6 LYS CA . 7321 1 44 . 1 1 6 6 LYS CB C 13 33.5 0.2 . 1 . . . . 6 LYS CB . 7321 1 45 . 1 1 6 6 LYS CG C 13 24.6 0.2 . 1 . . . . 6 LYS CG . 7321 1 46 . 1 1 6 6 LYS CD C 13 29.1 0.2 . 1 . . . . 6 LYS CD . 7321 1 47 . 1 1 6 6 LYS CE C 13 42.1 0.2 . 1 . . . . 6 LYS CE . 7321 1 48 . 1 1 6 6 LYS N N 15 125.4 0.2 . 1 . . . . 6 LYS N . 7321 1 49 . 1 1 7 7 CYS H H 1 8.54 0.01 . 1 . . . . 7 CYS HN . 7321 1 50 . 1 1 7 7 CYS HA H 1 4.86 0.01 . 1 . . . . 7 CYS HA . 7321 1 51 . 1 1 7 7 CYS HB2 H 1 2.61 0.01 . 2 . . . . 7 CYS HB2 . 7321 1 52 . 1 1 7 7 CYS HB3 H 1 3.08 0.01 . 2 . . . . 7 CYS HB3 . 7321 1 53 . 1 1 7 7 CYS CA C 13 52.7 0.2 . 1 . . . . 7 CYS CA . 7321 1 54 . 1 1 7 7 CYS CB C 13 40.6 0.2 . 1 . . . . 7 CYS CB . 7321 1 55 . 1 1 7 7 CYS N N 15 120.0 0.2 . 1 . . . . 7 CYS N . 7321 1 56 . 1 1 8 8 SER H H 1 8.61 0.01 . 1 . . . . 8 SER HN . 7321 1 57 . 1 1 8 8 SER HA H 1 4.40 0.01 . 1 . . . . 8 SER HA . 7321 1 58 . 1 1 8 8 SER HB2 H 1 3.66 0.01 . 2 . . . . 8 SER HB2 . 7321 1 59 . 1 1 8 8 SER HB3 H 1 3.88 0.01 . 2 . . . . 8 SER HB3 . 7321 1 60 . 1 1 8 8 SER CA C 13 58.6 0.2 . 1 . . . . 8 SER CA . 7321 1 61 . 1 1 8 8 SER CB C 13 64.1 0.2 . 1 . . . . 8 SER CB . 7321 1 62 . 1 1 8 8 SER N N 15 118.4 0.2 . 1 . . . . 8 SER N . 7321 1 63 . 1 1 9 9 LEU H H 1 8.27 0.01 . 1 . . . . 9 LEU HN . 7321 1 64 . 1 1 9 9 LEU HA H 1 4.29 0.01 . 1 . . . . 9 LEU HA . 7321 1 65 . 1 1 9 9 LEU HB2 H 1 1.70 0.01 . 1 . . . . 9 LEU HB2 . 7321 1 66 . 1 1 9 9 LEU HB3 H 1 1.70 0.01 . 1 . . . . 9 LEU HB3 . 7321 1 67 . 1 1 9 9 LEU HD11 H 1 1.00 0.01 . 2 . . . . 9 LEU HD1 . 7321 1 68 . 1 1 9 9 LEU HD12 H 1 1.00 0.01 . 2 . . . . 9 LEU HD1 . 7321 1 69 . 1 1 9 9 LEU HD13 H 1 1.00 0.01 . 2 . . . . 9 LEU HD1 . 7321 1 70 . 1 1 9 9 LEU HD21 H 1 1.00 0.01 . 2 . . . . 9 LEU HD2 . 7321 1 71 . 1 1 9 9 LEU HD22 H 1 1.00 0.01 . 2 . . . . 9 LEU HD2 . 7321 1 72 . 1 1 9 9 LEU HD23 H 1 1.00 0.01 . 2 . . . . 9 LEU HD2 . 7321 1 73 . 1 1 9 9 LEU CA C 13 57.6 0.2 . 1 . . . . 9 LEU CA . 7321 1 74 . 1 1 9 9 LEU CB C 13 42.0 0.2 . 1 . . . . 9 LEU CB . 7321 1 75 . 1 1 9 9 LEU CD1 C 13 24.6 0.2 . 1 . . . . 9 LEU CD1 . 7321 1 76 . 1 1 9 9 LEU N N 15 121.8 0.2 . 1 . . . . 9 LEU N . 7321 1 77 . 1 1 10 10 GLY H H 1 9.06 0.01 . 1 . . . . 10 GLY HN . 7321 1 78 . 1 1 10 10 GLY HA2 H 1 4.34 0.01 . 2 . . . . 10 GLY HA1 . 7321 1 79 . 1 1 10 10 GLY HA3 H 1 3.73 0.01 . 2 . . . . 10 GLY HA2 . 7321 1 80 . 1 1 10 10 GLY CA C 13 45.3 0.2 . 1 . . . . 10 GLY CA . 7321 1 81 . 1 1 10 10 GLY N N 15 112.7 0.2 . 1 . . . . 10 GLY N . 7321 1 82 . 1 1 11 11 TYR H H 1 8.43 0.01 . 1 . . . . 11 TYR HN . 7321 1 83 . 1 1 11 11 TYR HA H 1 5.34 0.01 . 1 . . . . 11 TYR HA . 7321 1 84 . 1 1 11 11 TYR HB2 H 1 3.29 0.01 . 2 . . . . 11 TYR HB2 . 7321 1 85 . 1 1 11 11 TYR HB3 H 1 2.50 0.01 . 2 . . . . 11 TYR HB3 . 7321 1 86 . 1 1 11 11 TYR HD1 H 1 6.71 0.01 . 1 . . . . 11 TYR HD1 . 7321 1 87 . 1 1 11 11 TYR HD2 H 1 6.71 0.01 . 1 . . . . 11 TYR HD2 . 7321 1 88 . 1 1 11 11 TYR CA C 13 56.6 0.2 . 1 . . . . 11 TYR CA . 7321 1 89 . 1 1 11 11 TYR CB C 13 41.6 0.2 . 1 . . . . 11 TYR CB . 7321 1 90 . 1 1 11 11 TYR N N 15 121.4 0.2 . 1 . . . . 11 TYR N . 7321 1 91 . 1 1 12 12 PHE H H 1 9.55 0.01 . 1 . . . . 12 PHE HN . 7321 1 92 . 1 1 12 12 PHE HA H 1 5.27 0.01 . 1 . . . . 12 PHE HA . 7321 1 93 . 1 1 12 12 PHE HB2 H 1 3.14 0.01 . 2 . . . . 12 PHE HB2 . 7321 1 94 . 1 1 12 12 PHE HB3 H 1 2.96 0.01 . 2 . . . . 12 PHE HB3 . 7321 1 95 . 1 1 12 12 PHE HE1 H 1 7.12 0.01 . 1 . . . . 12 PHE HE1 . 7321 1 96 . 1 1 12 12 PHE HE2 H 1 7.12 0.01 . 1 . . . . 12 PHE HE2 . 7321 1 97 . 1 1 12 12 PHE HZ H 1 7.01 0.01 . 1 . . . . 12 PHE HZ . 7321 1 98 . 1 1 12 12 PHE CA C 13 54.7 0.2 . 1 . . . . 12 PHE CA . 7321 1 99 . 1 1 12 12 PHE CB C 13 41.2 0.2 . 1 . . . . 12 PHE CB . 7321 1 100 . 1 1 12 12 PHE N N 15 120.0 0.2 . 1 . . . . 12 PHE N . 7321 1 101 . 1 1 13 13 PRO HA H 1 5.26 0.01 . 1 . . . . 13 PRO HA . 7321 1 102 . 1 1 13 13 PRO HB2 H 1 2.27 0.01 . 2 . . . . 13 PRO HB2 . 7321 1 103 . 1 1 13 13 PRO HB3 H 1 2.16 0.01 . 2 . . . . 13 PRO HB3 . 7321 1 104 . 1 1 13 13 PRO HG2 H 1 2.21 0.01 . 2 . . . . 13 PRO HG2 . 7321 1 105 . 1 1 13 13 PRO HD2 H 1 4.15 0.01 . 2 . . . . 13 PRO HD2 . 7321 1 106 . 1 1 13 13 PRO HD3 H 1 3.77 0.01 . 2 . . . . 13 PRO HD3 . 7321 1 107 . 1 1 13 13 PRO CA C 13 62.1 0.2 . 1 . . . . 13 PRO CA . 7321 1 108 . 1 1 13 13 PRO CB C 13 33.2 0.2 . 1 . . . . 13 PRO CB . 7321 1 109 . 1 1 13 13 PRO CD C 13 50.7 0.2 . 1 . . . . 13 PRO CD . 7321 1 110 . 1 1 14 14 CYS H H 1 8.04 0.01 . 1 . . . . 14 CYS HN . 7321 1 111 . 1 1 14 14 CYS HA H 1 4.92 0.01 . 1 . . . . 14 CYS HA . 7321 1 112 . 1 1 14 14 CYS HB2 H 1 2.95 0.01 . 2 . . . . 14 CYS HB2 . 7321 1 113 . 1 1 14 14 CYS HB3 H 1 3.64 0.01 . 2 . . . . 14 CYS HB3 . 7321 1 114 . 1 1 14 14 CYS CA C 13 55.4 0.2 . 1 . . . . 14 CYS CA . 7321 1 115 . 1 1 14 14 CYS CB C 13 37.7 0.2 . 1 . . . . 14 CYS CB . 7321 1 116 . 1 1 14 14 CYS N N 15 118.6 0.2 . 1 . . . . 14 CYS N . 7321 1 117 . 1 1 15 15 GLY H H 1 7.80 0.01 . 1 . . . . 15 GLY HN . 7321 1 118 . 1 1 15 15 GLY HA2 H 1 4.10 0.01 . 2 . . . . 15 GLY HA1 . 7321 1 119 . 1 1 15 15 GLY HA3 H 1 3.78 0.01 . 2 . . . . 15 GLY HA2 . 7321 1 120 . 1 1 15 15 GLY CA C 13 47.4 0.2 . 1 . . . . 15 GLY CA . 7321 1 121 . 1 1 15 15 GLY N N 15 110.4 0.2 . 1 . . . . 15 GLY N . 7321 1 122 . 1 1 16 16 ASN H H 1 8.70 0.01 . 1 . . . . 16 ASN HN . 7321 1 123 . 1 1 16 16 ASN HA H 1 4.57 0.01 . 1 . . . . 16 ASN HA . 7321 1 124 . 1 1 16 16 ASN HB2 H 1 3.05 0.01 . 2 . . . . 16 ASN HB2 . 7321 1 125 . 1 1 16 16 ASN HB3 H 1 2.85 0.01 . 2 . . . . 16 ASN HB3 . 7321 1 126 . 1 1 16 16 ASN HD21 H 1 7.59 0.01 . 2 . . . . 16 ASN HD21 . 7321 1 127 . 1 1 16 16 ASN HD22 H 1 6.95 0.01 . 2 . . . . 16 ASN HD22 . 7321 1 128 . 1 1 16 16 ASN CB C 13 37.7 0.2 . 1 . . . . 16 ASN CB . 7321 1 129 . 1 1 16 16 ASN N N 15 124.1 0.2 . 1 . . . . 16 ASN N . 7321 1 130 . 1 1 16 16 ASN ND2 N 15 111.9 0.2 . 1 . . . . 16 ASN ND2 . 7321 1 131 . 1 1 17 17 ILE H H 1 7.46 0.01 . 1 . . . . 17 ILE HN . 7321 1 132 . 1 1 17 17 ILE HA H 1 4.30 0.01 . 1 . . . . 17 ILE HA . 7321 1 133 . 1 1 17 17 ILE HB H 1 1.89 0.01 . 1 . . . . 17 ILE HB . 7321 1 134 . 1 1 17 17 ILE HG12 H 1 1.20 0.01 . 2 . . . . 17 ILE HG12 . 7321 1 135 . 1 1 17 17 ILE HG13 H 1 1.58 0.01 . 2 . . . . 17 ILE HG13 . 7321 1 136 . 1 1 17 17 ILE HG21 H 1 0.94 0.01 . 1 . . . . 17 ILE HG2 . 7321 1 137 . 1 1 17 17 ILE HG22 H 1 0.94 0.01 . 1 . . . . 17 ILE HG2 . 7321 1 138 . 1 1 17 17 ILE HG23 H 1 0.94 0.01 . 1 . . . . 17 ILE HG2 . 7321 1 139 . 1 1 17 17 ILE HD11 H 1 0.89 0.01 . 1 . . . . 17 ILE HD1 . 7321 1 140 . 1 1 17 17 ILE HD12 H 1 0.89 0.01 . 1 . . . . 17 ILE HD1 . 7321 1 141 . 1 1 17 17 ILE HD13 H 1 0.89 0.01 . 1 . . . . 17 ILE HD1 . 7321 1 142 . 1 1 17 17 ILE CA C 13 61.1 0.2 . 1 . . . . 17 ILE CA . 7321 1 143 . 1 1 17 17 ILE CB C 13 39.3 0.2 . 1 . . . . 17 ILE CB . 7321 1 144 . 1 1 17 17 ILE CG1 C 13 27.7 0.2 . 1 . . . . 17 ILE CG1 . 7321 1 145 . 1 1 17 17 ILE CG2 C 13 17.3 0.2 . 1 . . . . 17 ILE CG2 . 7321 1 146 . 1 1 17 17 ILE CD1 C 13 13.7 0.2 . 1 . . . . 17 ILE CD1 . 7321 1 147 . 1 1 17 17 ILE N N 15 120.2 0.2 . 1 . . . . 17 ILE N . 7321 1 148 . 1 1 18 18 THR H H 1 8.35 0.01 . 1 . . . . 18 THR HN . 7321 1 149 . 1 1 18 18 THR HA H 1 4.11 0.01 . 1 . . . . 18 THR HA . 7321 1 150 . 1 1 18 18 THR HB H 1 4.29 0.01 . 1 . . . . 18 THR HB . 7321 1 151 . 1 1 18 18 THR HG21 H 1 1.23 0.01 . 1 . . . . 18 THR HG2 . 7321 1 152 . 1 1 18 18 THR HG22 H 1 1.23 0.01 . 1 . . . . 18 THR HG2 . 7321 1 153 . 1 1 18 18 THR HG23 H 1 1.23 0.01 . 1 . . . . 18 THR HG2 . 7321 1 154 . 1 1 18 18 THR CA C 13 61.5 0.2 . 1 . . . . 18 THR CA . 7321 1 155 . 1 1 18 18 THR CB C 13 67.5 0.2 . 1 . . . . 18 THR CB . 7321 1 156 . 1 1 18 18 THR CG2 C 13 22.2 0.2 . 1 . . . . 18 THR CG2 . 7321 1 157 . 1 1 18 18 THR N N 15 119.9 0.2 . 1 . . . . 18 THR N . 7321 1 158 . 1 1 19 19 LYS H H 1 8.00 0.01 . 1 . . . . 19 LYS HN . 7321 1 159 . 1 1 19 19 LYS HA H 1 4.40 0.01 . 1 . . . . 19 LYS HA . 7321 1 160 . 1 1 19 19 LYS HB2 H 1 1.76 0.01 . 2 . . . . 19 LYS HB2 . 7321 1 161 . 1 1 19 19 LYS HB3 H 1 1.57 0.01 . 2 . . . . 19 LYS HB3 . 7321 1 162 . 1 1 19 19 LYS HG2 H 1 1.39 0.01 . 2 . . . . 19 LYS HG2 . 7321 1 163 . 1 1 19 19 LYS HG3 H 1 1.29 0.01 . 2 . . . . 19 LYS HG3 . 7321 1 164 . 1 1 19 19 LYS HD2 H 1 1.81 0.01 . 1 . . . . 19 LYS HD2 . 7321 1 165 . 1 1 19 19 LYS HD3 H 1 1.81 0.01 . 1 . . . . 19 LYS HD3 . 7321 1 166 . 1 1 19 19 LYS HE2 H 1 3.05 0.01 . 1 . . . . 19 LYS HE2 . 7321 1 167 . 1 1 19 19 LYS HE3 H 1 3.05 0.01 . 1 . . . . 19 LYS HE3 . 7321 1 168 . 1 1 19 19 LYS CA C 13 56.2 0.2 . 1 . . . . 19 LYS CA . 7321 1 169 . 1 1 19 19 LYS CB C 13 36.1 0.2 . 1 . . . . 19 LYS CB . 7321 1 170 . 1 1 19 19 LYS CG C 13 25.1 0.2 . 1 . . . . 19 LYS CG . 7321 1 171 . 1 1 19 19 LYS CD C 13 30.0 0.2 . 1 . . . . 19 LYS CD . 7321 1 172 . 1 1 19 19 LYS CE C 13 42.4 0.2 . 1 . . . . 19 LYS CE . 7321 1 173 . 1 1 19 19 LYS N N 15 125.8 0.2 . 1 . . . . 19 LYS N . 7321 1 174 . 1 1 20 20 CYS H H 1 8.49 0.01 . 1 . . . . 20 CYS HN . 7321 1 175 . 1 1 20 20 CYS HA H 1 5.35 0.01 . 1 . . . . 20 CYS HA . 7321 1 176 . 1 1 20 20 CYS HB2 H 1 2.92 0.01 . 2 . . . . 20 CYS HB2 . 7321 1 177 . 1 1 20 20 CYS HB3 H 1 2.70 0.01 . 2 . . . . 20 CYS HB3 . 7321 1 178 . 1 1 20 20 CYS CA C 13 54.6 0.2 . 1 . . . . 20 CYS CA . 7321 1 179 . 1 1 20 20 CYS CB C 13 44.7 0.2 . 1 . . . . 20 CYS CB . 7321 1 180 . 1 1 20 20 CYS N N 15 122.1 0.2 . 1 . . . . 20 CYS N . 7321 1 181 . 1 1 21 21 LEU H H 1 9.01 0.01 . 1 . . . . 21 LEU HN . 7321 1 182 . 1 1 21 21 LEU HA H 1 4.99 0.01 . 1 . . . . 21 LEU HA . 7321 1 183 . 1 1 21 21 LEU HB2 H 1 1.15 0.01 . 2 . . . . 21 LEU HB2 . 7321 1 184 . 1 1 21 21 LEU HB3 H 1 1.32 0.01 . 2 . . . . 21 LEU HB3 . 7321 1 185 . 1 1 21 21 LEU HG H 1 1.56 0.01 . 1 . . . . 21 LEU HG . 7321 1 186 . 1 1 21 21 LEU HD11 H 1 0.79 0.01 . 2 . . . . 21 LEU HD1 . 7321 1 187 . 1 1 21 21 LEU HD12 H 1 0.79 0.01 . 2 . . . . 21 LEU HD1 . 7321 1 188 . 1 1 21 21 LEU HD13 H 1 0.79 0.01 . 2 . . . . 21 LEU HD1 . 7321 1 189 . 1 1 21 21 LEU HD21 H 1 0.90 0.01 . 2 . . . . 21 LEU HD2 . 7321 1 190 . 1 1 21 21 LEU HD22 H 1 0.90 0.01 . 2 . . . . 21 LEU HD2 . 7321 1 191 . 1 1 21 21 LEU HD23 H 1 0.90 0.01 . 2 . . . . 21 LEU HD2 . 7321 1 192 . 1 1 21 21 LEU CA C 13 51.5 0.2 . 1 . . . . 21 LEU CA . 7321 1 193 . 1 1 21 21 LEU CB C 13 44.4 0.2 . 1 . . . . 21 LEU CB . 7321 1 194 . 1 1 21 21 LEU CG C 13 27.3 0.2 . 1 . . . . 21 LEU CG . 7321 1 195 . 1 1 21 21 LEU CD1 C 13 28.9 0.2 . 1 . . . . 21 LEU CD1 . 7321 1 196 . 1 1 21 21 LEU CD2 C 13 23.1 0.2 . 1 . . . . 21 LEU CD2 . 7321 1 197 . 1 1 21 21 LEU N N 15 123.5 0.2 . 1 . . . . 21 LEU N . 7321 1 198 . 1 1 22 22 PRO HA H 1 3.83 0.01 . 1 . . . . 22 PRO HA . 7321 1 199 . 1 1 22 22 PRO HB2 H 1 2.04 0.01 . 2 . . . . 22 PRO HB2 . 7321 1 200 . 1 1 22 22 PRO HB3 H 1 1.87 0.01 . 2 . . . . 22 PRO HB3 . 7321 1 201 . 1 1 22 22 PRO HD2 H 1 3.61 0.01 . 2 . . . . 22 PRO HD2 . 7321 1 202 . 1 1 22 22 PRO HD3 H 1 3.86 0.01 . 2 . . . . 22 PRO HD3 . 7321 1 203 . 1 1 22 22 PRO CA C 13 62.8 0.2 . 1 . . . . 22 PRO CA . 7321 1 204 . 1 1 22 22 PRO CB C 13 32.2 0.2 . 1 . . . . 22 PRO CB . 7321 1 205 . 1 1 22 22 PRO CD C 13 50.6 0.2 . 1 . . . . 22 PRO CD . 7321 1 206 . 1 1 23 23 GLN H H 1 8.01 0.01 . 1 . . . . 23 GLN HN . 7321 1 207 . 1 1 23 23 GLN HA H 1 4.11 0.01 . 1 . . . . 23 GLN HA . 7321 1 208 . 1 1 23 23 GLN HB2 H 1 2.14 0.01 . 2 . . . . 23 GLN HB2 . 7321 1 209 . 1 1 23 23 GLN HB3 H 1 2.02 0.01 . 2 . . . . 23 GLN HB3 . 7321 1 210 . 1 1 23 23 GLN HG2 H 1 2.44 0.01 . 1 . . . . 23 GLN HG2 . 7321 1 211 . 1 1 23 23 GLN HG3 H 1 2.44 0.01 . 1 . . . . 23 GLN HG3 . 7321 1 212 . 1 1 23 23 GLN HE21 H 1 7.35 0.01 . 2 . . . . 23 GLN HE21 . 7321 1 213 . 1 1 23 23 GLN HE22 H 1 6.68 0.01 . 2 . . . . 23 GLN HE22 . 7321 1 214 . 1 1 23 23 GLN CA C 13 59.4 0.2 . 1 . . . . 23 GLN CA . 7321 1 215 . 1 1 23 23 GLN CB C 13 28.4 0.2 . 1 . . . . 23 GLN CB . 7321 1 216 . 1 1 23 23 GLN CG C 13 33.0 0.2 . 1 . . . . 23 GLN CG . 7321 1 217 . 1 1 23 23 GLN N N 15 120.8 0.2 . 1 . . . . 23 GLN N . 7321 1 218 . 1 1 23 23 GLN NE2 N 15 110.5 0.2 . 1 . . . . 23 GLN NE2 . 7321 1 219 . 1 1 24 24 LEU H H 1 8.20 0.01 . 1 . . . . 24 LEU HN . 7321 1 220 . 1 1 24 24 LEU HA H 1 4.28 0.01 . 1 . . . . 24 LEU HA . 7321 1 221 . 1 1 24 24 LEU HB2 H 1 1.76 0.01 . 2 . . . . 24 LEU HB2 . 7321 1 222 . 1 1 24 24 LEU HB3 H 1 1.58 0.01 . 2 . . . . 24 LEU HB3 . 7321 1 223 . 1 1 24 24 LEU HD11 H 1 0.97 0.01 . 2 . . . . 24 LEU HD1 . 7321 1 224 . 1 1 24 24 LEU HD12 H 1 0.97 0.01 . 2 . . . . 24 LEU HD1 . 7321 1 225 . 1 1 24 24 LEU HD13 H 1 0.97 0.01 . 2 . . . . 24 LEU HD1 . 7321 1 226 . 1 1 24 24 LEU HD21 H 1 0.97 0.01 . 2 . . . . 24 LEU HD2 . 7321 1 227 . 1 1 24 24 LEU HD22 H 1 0.97 0.01 . 2 . . . . 24 LEU HD2 . 7321 1 228 . 1 1 24 24 LEU HD23 H 1 0.97 0.01 . 2 . . . . 24 LEU HD2 . 7321 1 229 . 1 1 24 24 LEU CA C 13 57.7 0.2 . 1 . . . . 24 LEU CA . 7321 1 230 . 1 1 24 24 LEU CB C 13 42.2 0.2 . 1 . . . . 24 LEU CB . 7321 1 231 . 1 1 24 24 LEU CD1 C 13 24.8 0.2 . 1 . . . . 24 LEU CD1 . 7321 1 232 . 1 1 24 24 LEU N N 15 119.2 0.2 . 1 . . . . 24 LEU N . 7321 1 233 . 1 1 25 25 LEU H H 1 8.17 0.01 . 1 . . . . 25 LEU HN . 7321 1 234 . 1 1 25 25 LEU HA H 1 4.44 0.01 . 1 . . . . 25 LEU HA . 7321 1 235 . 1 1 25 25 LEU HB2 H 1 2.15 0.01 . 2 . . . . 25 LEU HB2 . 7321 1 236 . 1 1 25 25 LEU HB3 H 1 1.85 0.01 . 2 . . . . 25 LEU HB3 . 7321 1 237 . 1 1 25 25 LEU HG H 1 1.74 0.01 . 1 . . . . 25 LEU HG . 7321 1 238 . 1 1 25 25 LEU HD11 H 1 0.82 0.01 . 2 . . . . 25 LEU HD1 . 7321 1 239 . 1 1 25 25 LEU HD12 H 1 0.82 0.01 . 2 . . . . 25 LEU HD1 . 7321 1 240 . 1 1 25 25 LEU HD13 H 1 0.82 0.01 . 2 . . . . 25 LEU HD1 . 7321 1 241 . 1 1 25 25 LEU HD21 H 1 1.03 0.01 . 2 . . . . 25 LEU HD2 . 7321 1 242 . 1 1 25 25 LEU HD22 H 1 1.03 0.01 . 2 . . . . 25 LEU HD2 . 7321 1 243 . 1 1 25 25 LEU HD23 H 1 1.03 0.01 . 2 . . . . 25 LEU HD2 . 7321 1 244 . 1 1 25 25 LEU CA C 13 55.1 0.2 . 1 . . . . 25 LEU CA . 7321 1 245 . 1 1 25 25 LEU CB C 13 40.0 0.2 . 1 . . . . 25 LEU CB . 7321 1 246 . 1 1 25 25 LEU CD1 C 13 21.9 0.2 . 1 . . . . 25 LEU CD1 . 7321 1 247 . 1 1 25 25 LEU CD2 C 13 26.5 0.2 . 1 . . . . 25 LEU CD2 . 7321 1 248 . 1 1 25 25 LEU N N 15 114.3 0.2 . 1 . . . . 25 LEU N . 7321 1 249 . 1 1 26 26 HIS H H 1 8.56 0.01 . 1 . . . . 26 HIS HN . 7321 1 250 . 1 1 26 26 HIS HA H 1 4.61 0.01 . 1 . . . . 26 HIS HA . 7321 1 251 . 1 1 26 26 HIS HB2 H 1 3.41 0.01 . 2 . . . . 26 HIS HB2 . 7321 1 252 . 1 1 26 26 HIS HB3 H 1 2.42 0.01 . 2 . . . . 26 HIS HB3 . 7321 1 253 . 1 1 26 26 HIS CA C 13 55.3 0.2 . 1 . . . . 26 HIS CA . 7321 1 254 . 1 1 26 26 HIS CB C 13 28.3 0.2 . 1 . . . . 26 HIS CB . 7321 1 255 . 1 1 26 26 HIS N N 15 126.5 0.2 . 1 . . . . 26 HIS N . 7321 1 256 . 1 1 27 27 CYS H H 1 8.80 0.01 . 1 . . . . 27 CYS HN . 7321 1 257 . 1 1 27 27 CYS HA H 1 4.78 0.01 . 1 . . . . 27 CYS HA . 7321 1 258 . 1 1 27 27 CYS HB2 H 1 2.82 0.01 . 2 . . . . 27 CYS HB2 . 7321 1 259 . 1 1 27 27 CYS HB3 H 1 3.16 0.01 . 2 . . . . 27 CYS HB3 . 7321 1 260 . 1 1 27 27 CYS CA C 13 56.1 0.2 . 1 . . . . 27 CYS CA . 7321 1 261 . 1 1 27 27 CYS CB C 13 36.0 0.2 . 1 . . . . 27 CYS CB . 7321 1 262 . 1 1 27 27 CYS N N 15 124.7 0.2 . 1 . . . . 27 CYS N . 7321 1 263 . 1 1 28 28 ASN H H 1 9.65 0.01 . 1 . . . . 28 ASN HN . 7321 1 264 . 1 1 28 28 ASN HA H 1 5.07 0.01 . 1 . . . . 28 ASN HA . 7321 1 265 . 1 1 28 28 ASN HB2 H 1 3.42 0.01 . 2 . . . . 28 ASN HB2 . 7321 1 266 . 1 1 28 28 ASN HB3 H 1 2.72 0.01 . 2 . . . . 28 ASN HB3 . 7321 1 267 . 1 1 28 28 ASN HD21 H 1 7.78 0.01 . 2 . . . . 28 ASN HD21 . 7321 1 268 . 1 1 28 28 ASN HD22 H 1 8.54 0.01 . 2 . . . . 28 ASN HD22 . 7321 1 269 . 1 1 28 28 ASN CA C 13 51.5 0.2 . 1 . . . . 28 ASN CA . 7321 1 270 . 1 1 28 28 ASN CB C 13 39.4 0.2 . 1 . . . . 28 ASN CB . 7321 1 271 . 1 1 28 28 ASN N N 15 119.8 0.2 . 1 . . . . 28 ASN N . 7321 1 272 . 1 1 28 28 ASN ND2 N 15 119.2 0.2 . 1 . . . . 28 ASN ND2 . 7321 1 273 . 1 1 29 29 GLY H H 1 9.38 0.01 . 1 . . . . 29 GLY HN . 7321 1 274 . 1 1 29 29 GLY HA2 H 1 4.20 0.01 . 2 . . . . 29 GLY HA1 . 7321 1 275 . 1 1 29 29 GLY HA3 H 1 3.57 0.01 . 2 . . . . 29 GLY HA2 . 7321 1 276 . 1 1 29 29 GLY CA C 13 45.7 0.2 . 1 . . . . 29 GLY CA . 7321 1 277 . 1 1 29 29 GLY N N 15 110.9 0.2 . 1 . . . . 29 GLY N . 7321 1 278 . 1 1 30 30 VAL H H 1 7.05 0.01 . 1 . . . . 30 VAL HN . 7321 1 279 . 1 1 30 30 VAL HA H 1 4.23 0.01 . 1 . . . . 30 VAL HA . 7321 1 280 . 1 1 30 30 VAL HB H 1 1.98 0.01 . 1 . . . . 30 VAL HB . 7321 1 281 . 1 1 30 30 VAL HG11 H 1 0.82 0.01 . 2 . . . . 30 VAL HG1 . 7321 1 282 . 1 1 30 30 VAL HG12 H 1 0.82 0.01 . 2 . . . . 30 VAL HG1 . 7321 1 283 . 1 1 30 30 VAL HG13 H 1 0.82 0.01 . 2 . . . . 30 VAL HG1 . 7321 1 284 . 1 1 30 30 VAL HG21 H 1 0.82 0.01 . 2 . . . . 30 VAL HG2 . 7321 1 285 . 1 1 30 30 VAL HG22 H 1 0.82 0.01 . 2 . . . . 30 VAL HG2 . 7321 1 286 . 1 1 30 30 VAL HG23 H 1 0.82 0.01 . 2 . . . . 30 VAL HG2 . 7321 1 287 . 1 1 30 30 VAL CA C 13 60.6 0.2 . 1 . . . . 30 VAL CA . 7321 1 288 . 1 1 30 30 VAL CB C 13 35.5 0.2 . 1 . . . . 30 VAL CB . 7321 1 289 . 1 1 30 30 VAL CG1 C 13 20.8 0.2 . 1 . . . . 30 VAL CG1 . 7321 1 290 . 1 1 30 30 VAL N N 15 118.1 0.2 . 1 . . . . 30 VAL N . 7321 1 291 . 1 1 31 31 ASP H H 1 9.18 0.01 . 1 . . . . 31 ASP HN . 7321 1 292 . 1 1 31 31 ASP HA H 1 4.75 0.01 . 1 . . . . 31 ASP HA . 7321 1 293 . 1 1 31 31 ASP HB2 H 1 2.96 0.01 . 2 . . . . 31 ASP HB2 . 7321 1 294 . 1 1 31 31 ASP HB3 H 1 2.71 0.01 . 2 . . . . 31 ASP HB3 . 7321 1 295 . 1 1 31 31 ASP CA C 13 53.6 0.2 . 1 . . . . 31 ASP CA . 7321 1 296 . 1 1 31 31 ASP CB C 13 39.9 0.2 . 1 . . . . 31 ASP CB . 7321 1 297 . 1 1 31 31 ASP N N 15 128.7 0.2 . 1 . . . . 31 ASP N . 7321 1 298 . 1 1 32 32 ASP H H 1 10.50 0.01 . 1 . . . . 32 ASP HN . 7321 1 299 . 1 1 32 32 ASP HA H 1 4.77 0.01 . 1 . . . . 32 ASP HA . 7321 1 300 . 1 1 32 32 ASP HB2 H 1 2.66 0.01 . 1 . . . . 32 ASP HB2 . 7321 1 301 . 1 1 32 32 ASP HB3 H 1 2.66 0.01 . 1 . . . . 32 ASP HB3 . 7321 1 302 . 1 1 32 32 ASP CA C 13 56.0 0.2 . 1 . . . . 32 ASP CA . 7321 1 303 . 1 1 32 32 ASP CB C 13 45.3 0.2 . 1 . . . . 32 ASP CB . 7321 1 304 . 1 1 32 32 ASP N N 15 128.7 0.2 . 1 . . . . 32 ASP N . 7321 1 305 . 1 1 33 33 CYS H H 1 8.70 0.01 . 1 . . . . 33 CYS HN . 7321 1 306 . 1 1 33 33 CYS HA H 1 4.50 0.01 . 1 . . . . 33 CYS HA . 7321 1 307 . 1 1 33 33 CYS HB2 H 1 3.37 0.01 . 1 . . . . 33 CYS HB2 . 7321 1 308 . 1 1 33 33 CYS HB3 H 1 3.37 0.01 . 1 . . . . 33 CYS HB3 . 7321 1 309 . 1 1 33 33 CYS CA C 13 57.8 0.2 . 1 . . . . 33 CYS CA . 7321 1 310 . 1 1 33 33 CYS CB C 13 41.3 0.2 . 1 . . . . 33 CYS CB . 7321 1 311 . 1 1 33 33 CYS N N 15 118.5 0.2 . 1 . . . . 33 CYS N . 7321 1 312 . 1 1 34 34 GLY H H 1 9.51 0.01 . 1 . . . . 34 GLY HN . 7321 1 313 . 1 1 34 34 GLY HA2 H 1 4.44 0.01 . 2 . . . . 34 GLY HA1 . 7321 1 314 . 1 1 34 34 GLY HA3 H 1 3.67 0.01 . 2 . . . . 34 GLY HA2 . 7321 1 315 . 1 1 34 34 GLY CA C 13 45.3 0.2 . 1 . . . . 34 GLY CA . 7321 1 316 . 1 1 34 34 GLY N N 15 110.6 0.2 . 1 . . . . 34 GLY N . 7321 1 317 . 1 1 35 35 ASN H H 1 7.43 0.01 . 1 . . . . 35 ASN HN . 7321 1 318 . 1 1 35 35 ASN HA H 1 4.89 0.01 . 1 . . . . 35 ASN HA . 7321 1 319 . 1 1 35 35 ASN HB2 H 1 3.40 0.01 . 2 . . . . 35 ASN HB2 . 7321 1 320 . 1 1 35 35 ASN HB3 H 1 2.75 0.01 . 2 . . . . 35 ASN HB3 . 7321 1 321 . 1 1 35 35 ASN HD21 H 1 7.16 0.01 . 2 . . . . 35 ASN HD21 . 7321 1 322 . 1 1 35 35 ASN HD22 H 1 7.75 0.01 . 2 . . . . 35 ASN HD22 . 7321 1 323 . 1 1 35 35 ASN CA C 13 51.7 0.2 . 1 . . . . 35 ASN CA . 7321 1 324 . 1 1 35 35 ASN CB C 13 39.1 0.2 . 1 . . . . 35 ASN CB . 7321 1 325 . 1 1 35 35 ASN N N 15 117.5 0.2 . 1 . . . . 35 ASN N . 7321 1 326 . 1 1 35 35 ASN ND2 N 15 109.8 0.2 . 1 . . . . 35 ASN ND2 . 7321 1 327 . 1 1 36 36 GLN H H 1 9.24 0.01 . 1 . . . . 36 GLN HN . 7321 1 328 . 1 1 36 36 GLN HA H 1 3.75 0.01 . 1 . . . . 36 GLN HA . 7321 1 329 . 1 1 36 36 GLN HB2 H 1 2.25 0.01 . 2 . . . . 36 GLN HB2 . 7321 1 330 . 1 1 36 36 GLN HB3 H 1 2.37 0.01 . 2 . . . . 36 GLN HB3 . 7321 1 331 . 1 1 36 36 GLN CA C 13 58.7 0.2 . 1 . . . . 36 GLN CA . 7321 1 332 . 1 1 36 36 GLN CB C 13 27.6 0.2 . 1 . . . . 36 GLN CB . 7321 1 333 . 1 1 36 36 GLN N N 15 113.9 0.2 . 1 . . . . 36 GLN N . 7321 1 334 . 1 1 37 37 ALA H H 1 8.15 0.01 . 1 . . . . 37 ALA HN . 7321 1 335 . 1 1 37 37 ALA HA H 1 4.21 0.01 . 1 . . . . 37 ALA HA . 7321 1 336 . 1 1 37 37 ALA HB1 H 1 1.63 0.01 . 1 . . . . 37 ALA HB . 7321 1 337 . 1 1 37 37 ALA HB2 H 1 1.63 0.01 . 1 . . . . 37 ALA HB . 7321 1 338 . 1 1 37 37 ALA HB3 H 1 1.63 0.01 . 1 . . . . 37 ALA HB . 7321 1 339 . 1 1 37 37 ALA CA C 13 55.8 0.2 . 1 . . . . 37 ALA CA . 7321 1 340 . 1 1 37 37 ALA CB C 13 18.8 0.2 . 1 . . . . 37 ALA CB . 7321 1 341 . 1 1 37 37 ALA N N 15 122.7 0.2 . 1 . . . . 37 ALA N . 7321 1 342 . 1 1 38 38 ASP H H 1 10.41 0.01 . 1 . . . . 38 ASP HN . 7321 1 343 . 1 1 38 38 ASP HA H 1 4.43 0.01 . 1 . . . . 38 ASP HA . 7321 1 344 . 1 1 38 38 ASP HB2 H 1 2.96 0.01 . 2 . . . . 38 ASP HB2 . 7321 1 345 . 1 1 38 38 ASP HB3 H 1 3.24 0.01 . 2 . . . . 38 ASP HB3 . 7321 1 346 . 1 1 38 38 ASP CA C 13 54.2 0.2 . 1 . . . . 38 ASP CA . 7321 1 347 . 1 1 38 38 ASP CB C 13 40.5 0.2 . 1 . . . . 38 ASP CB . 7321 1 348 . 1 1 38 38 ASP N N 15 109.4 0.2 . 1 . . . . 38 ASP N . 7321 1 349 . 1 1 39 39 GLU H H 1 7.72 0.01 . 1 . . . . 39 GLU HN . 7321 1 350 . 1 1 39 39 GLU HA H 1 4.74 0.01 . 1 . . . . 39 GLU HA . 7321 1 351 . 1 1 39 39 GLU HB2 H 1 2.48 0.01 . 2 . . . . 39 GLU HB2 . 7321 1 352 . 1 1 39 39 GLU HB3 H 1 1.51 0.01 . 2 . . . . 39 GLU HB3 . 7321 1 353 . 1 1 39 39 GLU HG2 H 1 2.07 0.01 . 1 . . . . 39 GLU HG2 . 7321 1 354 . 1 1 39 39 GLU HG3 H 1 2.07 0.01 . 1 . . . . 39 GLU HG3 . 7321 1 355 . 1 1 39 39 GLU CA C 13 54.6 0.2 . 1 . . . . 39 GLU CA . 7321 1 356 . 1 1 39 39 GLU CB C 13 31.0 0.2 . 1 . . . . 39 GLU CB . 7321 1 357 . 1 1 39 39 GLU CG C 13 36.7 0.2 . 1 . . . . 39 GLU CG . 7321 1 358 . 1 1 39 39 GLU N N 15 118.5 0.2 . 1 . . . . 39 GLU N . 7321 1 359 . 1 1 40 40 ASP H H 1 7.35 0.01 . 1 . . . . 40 ASP HN . 7321 1 360 . 1 1 40 40 ASP HA H 1 4.71 0.01 . 1 . . . . 40 ASP HA . 7321 1 361 . 1 1 40 40 ASP HB2 H 1 2.70 0.01 . 2 . . . . 40 ASP HB2 . 7321 1 362 . 1 1 40 40 ASP HB3 H 1 2.76 0.01 . 2 . . . . 40 ASP HB3 . 7321 1 363 . 1 1 40 40 ASP CA C 13 54.5 0.2 . 1 . . . . 40 ASP CA . 7321 1 364 . 1 1 40 40 ASP CB C 13 41.8 0.2 . 1 . . . . 40 ASP CB . 7321 1 365 . 1 1 40 40 ASP N N 15 121.0 0.2 . 1 . . . . 40 ASP N . 7321 1 366 . 1 1 41 41 ASN H H 1 8.63 0.01 . 1 . . . . 41 ASN HN . 7321 1 367 . 1 1 41 41 ASN HA H 1 4.60 0.01 . 1 . . . . 41 ASN HA . 7321 1 368 . 1 1 41 41 ASN HB2 H 1 3.05 0.01 . 2 . . . . 41 ASN HB2 . 7321 1 369 . 1 1 41 41 ASN HB3 H 1 2.85 0.01 . 2 . . . . 41 ASN HB3 . 7321 1 370 . 1 1 41 41 ASN HD21 H 1 7.66 0.01 . 2 . . . . 41 ASN HD21 . 7321 1 371 . 1 1 41 41 ASN HD22 H 1 6.90 0.01 . 2 . . . . 41 ASN HD22 . 7321 1 372 . 1 1 41 41 ASN CA C 13 54.0 0.2 . 1 . . . . 41 ASN CA . 7321 1 373 . 1 1 41 41 ASN CB C 13 37.5 0.2 . 1 . . . . 41 ASN CB . 7321 1 374 . 1 1 41 41 ASN N N 15 118.6 0.2 . 1 . . . . 41 ASN N . 7321 1 375 . 1 1 41 41 ASN ND2 N 15 113.2 0.2 . 1 . . . . 41 ASN ND2 . 7321 1 376 . 1 1 42 42 CYS H H 1 8.22 0.01 . 1 . . . . 42 CYS HN . 7321 1 377 . 1 1 42 42 CYS HA H 1 4.63 0.01 . 1 . . . . 42 CYS HA . 7321 1 378 . 1 1 42 42 CYS HB2 H 1 3.15 0.01 . 2 . . . . 42 CYS HB2 . 7321 1 379 . 1 1 42 42 CYS HB3 H 1 2.75 0.01 . 2 . . . . 42 CYS HB3 . 7321 1 380 . 1 1 42 42 CYS CB C 13 40.0 0.2 . 1 . . . . 42 CYS CB . 7321 1 381 . 1 1 42 42 CYS N N 15 117.7 0.2 . 1 . . . . 42 CYS N . 7321 1 382 . 1 1 43 43 GLY H H 1 8.21 0.01 . 1 . . . . 43 GLY HN . 7321 1 383 . 1 1 43 43 GLY HA2 H 1 3.80 0.01 . 2 . . . . 43 GLY HA2 . 7321 1 384 . 1 1 43 43 GLY CA C 13 46.4 0.2 . 1 . . . . 43 GLY CA . 7321 1 385 . 1 1 43 43 GLY N N 15 116.5 0.2 . 1 . . . . 43 GLY N . 7321 1 stop_ save_