################################### # 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 25864 _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' . . . 25864 1 2 '2D 1H-13C HSQC aliphatic' . . . 25864 1 4 '3D HNCACB' . . . 25864 1 5 '3D CBCA(CO)NH' . . . 25864 1 6 '3D 1H-15N NOESY' . . . 25864 1 7 '3D 1H-13C NOESY aliphatic' . . . 25864 1 8 '3D 1H-13C NOESY aromatic' . . . 25864 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 4 4 SER H H 1 8.4830 0.05 . 1 . . . A 4 SER H . 25864 1 2 . 1 1 4 4 SER HA H 1 4.7580 0.05 . 1 . . . A 4 SER HA . 25864 1 3 . 1 1 4 4 SER HB2 H 1 3.8600 0.05 . 2 . . . A 4 SER HB2 . 25864 1 4 . 1 1 4 4 SER HB3 H 1 3.7700 0.05 . 2 . . . A 4 SER HB3 . 25864 1 5 . 1 1 4 4 SER CA C 13 56.5700 0.3 . 1 . . . A 4 SER CA . 25864 1 6 . 1 1 4 4 SER CB C 13 62.7300 0.3 . 1 . . . A 4 SER CB . 25864 1 7 . 1 1 4 4 SER N N 15 119.6000 0.3 . 1 . . . A 4 SER N . 25864 1 8 . 1 1 5 5 PRO HA H 1 4.4000 0.05 . 1 . . . A 5 PRO HA . 25864 1 9 . 1 1 5 5 PRO HB2 H 1 2.2800 0.05 . 2 . . . A 5 PRO HB2 . 25864 1 10 . 1 1 5 5 PRO HB3 H 1 1.8600 0.05 . 2 . . . A 5 PRO HB3 . 25864 1 11 . 1 1 5 5 PRO HG2 H 1 2.0000 0.05 . 2 . . . A 5 PRO HG2 . 25864 1 12 . 1 1 5 5 PRO HG3 H 1 2.0000 0.05 . 2 . . . A 5 PRO HG3 . 25864 1 13 . 1 1 5 5 PRO CA C 13 62.9000 0.3 . 1 . . . A 5 PRO CA . 25864 1 14 . 1 1 5 5 PRO CB C 13 32.1600 0.3 . 1 . . . A 5 PRO CB . 25864 1 15 . 1 1 5 5 PRO CG C 13 27.6000 0.3 . 1 . . . A 5 PRO CG . 25864 1 16 . 1 1 6 6 LEU H H 1 8.5620 0.05 . 1 . . . A 6 LEU H . 25864 1 17 . 1 1 6 6 LEU HA H 1 4.3400 0.05 . 1 . . . A 6 LEU HA . 25864 1 18 . 1 1 6 6 LEU HB2 H 1 1.7340 0.05 . 2 . . . A 6 LEU HB2 . 25864 1 19 . 1 1 6 6 LEU HB3 H 1 1.3850 0.05 . 2 . . . A 6 LEU HB3 . 25864 1 20 . 1 1 6 6 LEU HG H 1 1.8200 0.05 . 1 . . . A 6 LEU HG . 25864 1 21 . 1 1 6 6 LEU HD11 H 1 1.0150 0.05 . 2 . . . A 6 LEU HD11 . 25864 1 22 . 1 1 6 6 LEU HD12 H 1 1.0150 0.05 . 2 . . . A 6 LEU HD12 . 25864 1 23 . 1 1 6 6 LEU HD13 H 1 1.0150 0.05 . 2 . . . A 6 LEU HD13 . 25864 1 24 . 1 1 6 6 LEU HD21 H 1 0.7100 0.05 . 2 . . . A 6 LEU HD21 . 25864 1 25 . 1 1 6 6 LEU HD22 H 1 0.7100 0.05 . 2 . . . A 6 LEU HD22 . 25864 1 26 . 1 1 6 6 LEU HD23 H 1 0.7100 0.05 . 2 . . . A 6 LEU HD23 . 25864 1 27 . 1 1 6 6 LEU CA C 13 52.6600 0.3 . 1 . . . A 6 LEU CA . 25864 1 28 . 1 1 6 6 LEU CB C 13 41.6550 0.3 . 1 . . . A 6 LEU CB . 25864 1 29 . 1 1 6 6 LEU CG C 13 26.8000 0.3 . 1 . . . A 6 LEU CG . 25864 1 30 . 1 1 6 6 LEU CD1 C 13 26.4400 0.3 . 1 . . . A 6 LEU CD1 . 25864 1 31 . 1 1 6 6 LEU CD2 C 13 24.0000 0.3 . 1 . . . A 6 LEU CD2 . 25864 1 32 . 1 1 6 6 LEU N N 15 124.4960 0.3 . 1 . . . A 6 LEU N . 25864 1 33 . 1 1 7 7 PRO HA H 1 4.8080 0.05 . 1 . . . A 7 PRO HA . 25864 1 34 . 1 1 7 7 PRO HB2 H 1 2.4930 0.05 . 2 . . . A 7 PRO HB2 . 25864 1 35 . 1 1 7 7 PRO HB3 H 1 2.0040 0.05 . 2 . . . A 7 PRO HB3 . 25864 1 36 . 1 1 7 7 PRO HG2 H 1 1.6500 0.05 . 2 . . . A 7 PRO HG2 . 25864 1 37 . 1 1 7 7 PRO HG3 H 1 1.6300 0.05 . 2 . . . A 7 PRO HG3 . 25864 1 38 . 1 1 7 7 PRO HD2 H 1 3.5100 0.05 . 2 . . . A 7 PRO HD2 . 25864 1 39 . 1 1 7 7 PRO HD3 H 1 2.9200 0.05 . 2 . . . A 7 PRO HD3 . 25864 1 40 . 1 1 7 7 PRO CA C 13 61.2000 0.3 . 1 . . . A 7 PRO CA . 25864 1 41 . 1 1 7 7 PRO CB C 13 30.1000 0.3 . 1 . . . A 7 PRO CB . 25864 1 42 . 1 1 7 7 PRO CG C 13 27.6000 0.3 . 1 . . . A 7 PRO CG . 25864 1 43 . 1 1 7 7 PRO CD C 13 50.1000 0.3 . 1 . . . A 7 PRO CD . 25864 1 44 . 1 1 8 8 PRO HA H 1 4.3970 0.05 . 1 . . . A 8 PRO HA . 25864 1 45 . 1 1 8 8 PRO HB2 H 1 2.3100 0.05 . 2 . . . A 8 PRO HB2 . 25864 1 46 . 1 1 8 8 PRO HB3 H 1 1.9000 0.05 . 2 . . . A 8 PRO HB3 . 25864 1 47 . 1 1 8 8 PRO HG2 H 1 2.1100 0.05 . 2 . . . A 8 PRO HG2 . 25864 1 48 . 1 1 8 8 PRO HG3 H 1 1.9900 0.05 . 2 . . . A 8 PRO HG3 . 25864 1 49 . 1 1 8 8 PRO HD2 H 1 3.8500 0.05 . 2 . . . A 8 PRO HD2 . 25864 1 50 . 1 1 8 8 PRO HD3 H 1 3.6300 0.05 . 2 . . . A 8 PRO HD3 . 25864 1 51 . 1 1 8 8 PRO CA C 13 64.0200 0.3 . 1 . . . A 8 PRO CA . 25864 1 52 . 1 1 8 8 PRO CB C 13 32.0300 0.3 . 1 . . . A 8 PRO CB . 25864 1 53 . 1 1 8 8 PRO CG C 13 26.7000 0.3 . 1 . . . A 8 PRO CG . 25864 1 54 . 1 1 8 8 PRO CD C 13 50.6000 0.3 . 1 . . . A 8 PRO CD . 25864 1 55 . 1 1 9 9 GLY H H 1 8.7230 0.05 . 1 . . . A 9 GLY H . 25864 1 56 . 1 1 9 9 GLY HA2 H 1 4.1830 0.05 . 2 . . . A 9 GLY HA2 . 25864 1 57 . 1 1 9 9 GLY HA3 H 1 3.5990 0.05 . 2 . . . A 9 GLY HA3 . 25864 1 58 . 1 1 9 9 GLY CA C 13 45.0000 0.3 . 1 . . . A 9 GLY CA . 25864 1 59 . 1 1 9 9 GLY N N 15 112.1600 0.3 . 1 . . . A 9 GLY N . 25864 1 60 . 1 1 10 10 TRP H H 1 7.4030 0.05 . 1 . . . A 10 TRP H . 25864 1 61 . 1 1 10 10 TRP HA H 1 5.2900 0.05 . 1 . . . A 10 TRP HA . 25864 1 62 . 1 1 10 10 TRP HB2 H 1 3.1400 0.05 . 2 . . . A 10 TRP HB2 . 25864 1 63 . 1 1 10 10 TRP HB3 H 1 2.9440 0.05 . 2 . . . A 10 TRP HB3 . 25864 1 64 . 1 1 10 10 TRP HD1 H 1 7.0000 0.05 . 1 . . . A 10 TRP HD1 . 25864 1 65 . 1 1 10 10 TRP HE1 H 1 10.5700 0.05 . 1 . . . A 10 TRP HE1 . 25864 1 66 . 1 1 10 10 TRP HE3 H 1 7.3200 0.05 . 1 . . . A 10 TRP HE3 . 25864 1 67 . 1 1 10 10 TRP HZ2 H 1 7.4590 0.05 . 1 . . . A 10 TRP HZ2 . 25864 1 68 . 1 1 10 10 TRP HZ3 H 1 6.7700 0.05 . 1 . . . A 10 TRP HZ3 . 25864 1 69 . 1 1 10 10 TRP HH2 H 1 6.9720 0.05 . 1 . . . A 10 TRP HH2 . 25864 1 70 . 1 1 10 10 TRP CA C 13 56.4000 0.3 . 1 . . . A 10 TRP CA . 25864 1 71 . 1 1 10 10 TRP CB C 13 32.5000 0.3 . 1 . . . A 10 TRP CB . 25864 1 72 . 1 1 10 10 TRP CD1 C 13 124.2000 0.3 . 1 . . . A 10 TRP CD1 . 25864 1 73 . 1 1 10 10 TRP CE3 C 13 116.6000 0.3 . 1 . . . A 10 TRP CE3 . 25864 1 74 . 1 1 10 10 TRP CZ2 C 13 111.4000 0.3 . 1 . . . A 10 TRP CZ2 . 25864 1 75 . 1 1 10 10 TRP CZ3 C 13 118.6000 0.3 . 1 . . . A 10 TRP CZ3 . 25864 1 76 . 1 1 10 10 TRP CH2 C 13 121.2000 0.3 . 1 . . . A 10 TRP CH2 . 25864 1 77 . 1 1 10 10 TRP N N 15 119.1030 0.3 . 1 . . . A 10 TRP N . 25864 1 78 . 1 1 10 10 TRP NE1 N 15 130.8930 0.3 . 1 . . . A 10 TRP NE1 . 25864 1 79 . 1 1 11 11 GLU H H 1 9.2940 0.05 . 1 . . . A 11 GLU H . 25864 1 80 . 1 1 11 11 GLU HA H 1 4.7280 0.05 . 1 . . . A 11 GLU HA . 25864 1 81 . 1 1 11 11 GLU HB2 H 1 2.0000 0.05 . 2 . . . A 11 GLU HB2 . 25864 1 82 . 1 1 11 11 GLU HB3 H 1 1.9000 0.05 . 2 . . . A 11 GLU HB3 . 25864 1 83 . 1 1 11 11 GLU HG2 H 1 2.2300 0.05 . 2 . . . A 11 GLU HG2 . 25864 1 84 . 1 1 11 11 GLU HG3 H 1 2.2200 0.05 . 2 . . . A 11 GLU HG3 . 25864 1 85 . 1 1 11 11 GLU CA C 13 54.9100 0.3 . 1 . . . A 11 GLU CA . 25864 1 86 . 1 1 11 11 GLU CB C 13 34.4000 0.3 . 1 . . . A 11 GLU CB . 25864 1 87 . 1 1 11 11 GLU CG C 13 36.6700 0.3 . 1 . . . A 11 GLU CG . 25864 1 88 . 1 1 11 11 GLU N N 15 121.8750 0.3 . 1 . . . A 11 GLU N . 25864 1 89 . 1 1 12 12 GLU H H 1 8.7530 0.05 . 1 . . . A 12 GLU H . 25864 1 90 . 1 1 12 12 GLU HA H 1 4.4920 0.05 . 1 . . . A 12 GLU HA . 25864 1 91 . 1 1 12 12 GLU HB2 H 1 1.9230 0.05 . 2 . . . A 12 GLU HB2 . 25864 1 92 . 1 1 12 12 GLU HB3 H 1 1.9100 0.05 . 2 . . . A 12 GLU HB3 . 25864 1 93 . 1 1 12 12 GLU HG2 H 1 1.9200 0.05 . 2 . . . A 12 GLU HG2 . 25864 1 94 . 1 1 12 12 GLU HG3 H 1 1.9000 0.05 . 2 . . . A 12 GLU HG3 . 25864 1 95 . 1 1 12 12 GLU CA C 13 55.2000 0.3 . 1 . . . A 12 GLU CA . 25864 1 96 . 1 1 12 12 GLU CB C 13 32.1000 0.3 . 1 . . . A 12 GLU CB . 25864 1 97 . 1 1 12 12 GLU CG C 13 36.6700 0.3 . 1 . . . A 12 GLU CG . 25864 1 98 . 1 1 12 12 GLU N N 15 126.0470 0.3 . 1 . . . A 12 GLU N . 25864 1 99 . 1 1 13 13 ARG H H 1 8.5210 0.05 . 1 . . . A 13 ARG H . 25864 1 100 . 1 1 13 13 ARG HA H 1 4.3980 0.05 . 1 . . . A 13 ARG HA . 25864 1 101 . 1 1 13 13 ARG HB2 H 1 1.2860 0.05 . 2 . . . A 13 ARG HB2 . 25864 1 102 . 1 1 13 13 ARG HB3 H 1 0.0440 0.05 . 2 . . . A 13 ARG HB3 . 25864 1 103 . 1 1 13 13 ARG HG2 H 1 1.2370 0.05 . 2 . . . A 13 ARG HG2 . 25864 1 104 . 1 1 13 13 ARG HG3 H 1 1.1300 0.05 . 2 . . . A 13 ARG HG3 . 25864 1 105 . 1 1 13 13 ARG HD2 H 1 3.1000 0.05 . 2 . . . A 13 ARG HD2 . 25864 1 106 . 1 1 13 13 ARG HD3 H 1 2.9400 0.05 . 2 . . . A 13 ARG HD3 . 25864 1 107 . 1 1 13 13 ARG CA C 13 53.7000 0.3 . 1 . . . A 13 ARG CA . 25864 1 108 . 1 1 13 13 ARG CB C 13 34.4500 0.3 . 1 . . . A 13 ARG CB . 25864 1 109 . 1 1 13 13 ARG CG C 13 27.2000 0.3 . 1 . . . A 13 ARG CG . 25864 1 110 . 1 1 13 13 ARG CD C 13 43.2000 0.3 . 1 . . . A 13 ARG CD . 25864 1 111 . 1 1 13 13 ARG N N 15 127.2390 0.3 . 1 . . . A 13 ARG N . 25864 1 112 . 1 1 14 14 GLN H H 1 7.9170 0.05 . 1 . . . A 14 GLN H . 25864 1 113 . 1 1 14 14 GLN HA H 1 5.3880 0.05 . 1 . . . A 14 GLN HA . 25864 1 114 . 1 1 14 14 GLN HB2 H 1 1.9020 0.05 . 2 . . . A 14 GLN HB2 . 25864 1 115 . 1 1 14 14 GLN HB3 H 1 1.8070 0.05 . 2 . . . A 14 GLN HB3 . 25864 1 116 . 1 1 14 14 GLN HG2 H 1 2.2500 0.05 . 2 . . . A 14 GLN HG2 . 25864 1 117 . 1 1 14 14 GLN HG3 H 1 2.1170 0.05 . 2 . . . A 14 GLN HG3 . 25864 1 118 . 1 1 14 14 GLN HE21 H 1 7.3800 0.05 . 2 . . . A 14 GLN HE21 . 25864 1 119 . 1 1 14 14 GLN HE22 H 1 6.8100 0.05 . 2 . . . A 14 GLN HE22 . 25864 1 120 . 1 1 14 14 GLN CA C 13 54.5000 0.3 . 1 . . . A 14 GLN CA . 25864 1 121 . 1 1 14 14 GLN CB C 13 32.5000 0.3 . 1 . . . A 14 GLN CB . 25864 1 122 . 1 1 14 14 GLN CG C 13 34.6300 0.3 . 1 . . . A 14 GLN CG . 25864 1 123 . 1 1 14 14 GLN N N 15 116.9200 0.3 . 1 . . . A 14 GLN N . 25864 1 124 . 1 1 14 14 GLN NE2 N 15 113.4000 0.3 . 1 . . . A 14 GLN NE2 . 25864 1 125 . 1 1 15 15 ASP H H 1 9.0400 0.05 . 1 . . . A 15 ASP H . 25864 1 126 . 1 1 15 15 ASP HA H 1 4.9240 0.05 . 1 . . . A 15 ASP HA . 25864 1 127 . 1 1 15 15 ASP HB2 H 1 3.5200 0.05 . 2 . . . A 15 ASP HB2 . 25864 1 128 . 1 1 15 15 ASP HB3 H 1 2.7750 0.05 . 2 . . . A 15 ASP HB3 . 25864 1 129 . 1 1 15 15 ASP CA C 13 52.2000 0.3 . 1 . . . A 15 ASP CA . 25864 1 130 . 1 1 15 15 ASP CB C 13 41.6000 0.3 . 1 . . . A 15 ASP CB . 25864 1 131 . 1 1 15 15 ASP N N 15 124.7570 0.3 . 1 . . . A 15 ASP N . 25864 1 132 . 1 1 16 16 VAL H H 1 8.0600 0.05 . 1 . . . A 16 VAL H . 25864 1 133 . 1 1 16 16 VAL HA H 1 4.0600 0.05 . 1 . . . A 16 VAL HA . 25864 1 134 . 1 1 16 16 VAL HB H 1 2.2900 0.05 . 1 . . . A 16 VAL HB . 25864 1 135 . 1 1 16 16 VAL HG11 H 1 1.0240 0.05 . 2 . . . A 16 VAL HG11 . 25864 1 136 . 1 1 16 16 VAL HG12 H 1 1.0240 0.05 . 2 . . . A 16 VAL HG12 . 25864 1 137 . 1 1 16 16 VAL HG13 H 1 1.0240 0.05 . 2 . . . A 16 VAL HG13 . 25864 1 138 . 1 1 16 16 VAL HG21 H 1 1.0500 0.05 . 2 . . . A 16 VAL HG21 . 25864 1 139 . 1 1 16 16 VAL HG22 H 1 1.0500 0.05 . 2 . . . A 16 VAL HG22 . 25864 1 140 . 1 1 16 16 VAL HG23 H 1 1.0500 0.05 . 2 . . . A 16 VAL HG23 . 25864 1 141 . 1 1 16 16 VAL CA C 13 64.4000 0.3 . 1 . . . A 16 VAL CA . 25864 1 142 . 1 1 16 16 VAL CB C 13 31.7000 0.3 . 1 . . . A 16 VAL CB . 25864 1 143 . 1 1 16 16 VAL CG1 C 13 20.7000 0.3 . 1 . . . A 16 VAL CG1 . 25864 1 144 . 1 1 16 16 VAL CG2 C 13 31.7000 0.3 . 1 . . . A 16 VAL CG2 . 25864 1 145 . 1 1 16 16 VAL N N 15 116.2000 0.3 . 1 . . . A 16 VAL N . 25864 1 146 . 1 1 17 17 LEU H H 1 7.8360 0.05 . 1 . . . A 17 LEU H . 25864 1 147 . 1 1 17 17 LEU HA H 1 4.4600 0.05 . 1 . . . A 17 LEU HA . 25864 1 148 . 1 1 17 17 LEU HB2 H 1 1.8650 0.05 . 2 . . . A 17 LEU HB2 . 25864 1 149 . 1 1 17 17 LEU HB3 H 1 1.7000 0.05 . 2 . . . A 17 LEU HB3 . 25864 1 150 . 1 1 17 17 LEU HG H 1 1.5750 0.05 . 1 . . . A 17 LEU HG . 25864 1 151 . 1 1 17 17 LEU HD11 H 1 0.8580 0.05 . 2 . . . A 17 LEU HD11 . 25864 1 152 . 1 1 17 17 LEU HD12 H 1 0.8580 0.05 . 2 . . . A 17 LEU HD12 . 25864 1 153 . 1 1 17 17 LEU HD13 H 1 0.8580 0.05 . 2 . . . A 17 LEU HD13 . 25864 1 154 . 1 1 17 17 LEU HD21 H 1 0.8400 0.05 . 2 . . . A 17 LEU HD21 . 25864 1 155 . 1 1 17 17 LEU HD22 H 1 0.8400 0.05 . 2 . . . A 17 LEU HD22 . 25864 1 156 . 1 1 17 17 LEU HD23 H 1 0.8400 0.05 . 2 . . . A 17 LEU HD23 . 25864 1 157 . 1 1 17 17 LEU CA C 13 54.5000 0.3 . 1 . . . A 17 LEU CA . 25864 1 158 . 1 1 17 17 LEU CB C 13 42.0000 0.3 . 1 . . . A 17 LEU CB . 25864 1 159 . 1 1 17 17 LEU CG C 13 27.2000 0.3 . 1 . . . A 17 LEU CG . 25864 1 160 . 1 1 17 17 LEU CD1 C 13 24.8000 0.3 . 1 . . . A 17 LEU CD1 . 25864 1 161 . 1 1 17 17 LEU CD2 C 13 22.7500 0.3 . 1 . . . A 17 LEU CD2 . 25864 1 162 . 1 1 17 17 LEU N N 15 122.2000 0.3 . 1 . . . A 17 LEU N . 25864 1 163 . 1 1 18 18 GLY H H 1 8.3000 0.05 . 1 . . . A 18 GLY H . 25864 1 164 . 1 1 18 18 GLY HA2 H 1 4.2150 0.05 . 2 . . . A 18 GLY HA2 . 25864 1 165 . 1 1 18 18 GLY HA3 H 1 3.6680 0.05 . 2 . . . A 18 GLY HA3 . 25864 1 166 . 1 1 18 18 GLY CA C 13 45.4000 0.3 . 1 . . . A 18 GLY CA . 25864 1 167 . 1 1 18 18 GLY N N 15 110.1150 0.3 . 1 . . . A 18 GLY N . 25864 1 168 . 1 1 19 19 ARG H H 1 8.7650 0.05 . 1 . . . A 19 ARG H . 25864 1 169 . 1 1 19 19 ARG HA H 1 4.4800 0.05 . 1 . . . A 19 ARG HA . 25864 1 170 . 1 1 19 19 ARG HB2 H 1 2.2600 0.05 . 2 . . . A 19 ARG HB2 . 25864 1 171 . 1 1 19 19 ARG HB3 H 1 1.9500 0.05 . 2 . . . A 19 ARG HB3 . 25864 1 172 . 1 1 19 19 ARG HG2 H 1 1.6600 0.05 . 2 . . . A 19 ARG HG2 . 25864 1 173 . 1 1 19 19 ARG HG3 H 1 1.6500 0.05 . 2 . . . A 19 ARG HG3 . 25864 1 174 . 1 1 19 19 ARG HD2 H 1 3.1260 0.05 . 2 . . . A 19 ARG HD2 . 25864 1 175 . 1 1 19 19 ARG HD3 H 1 2.8800 0.05 . 2 . . . A 19 ARG HD3 . 25864 1 176 . 1 1 19 19 ARG CA C 13 56.1000 0.3 . 1 . . . A 19 ARG CA . 25864 1 177 . 1 1 19 19 ARG CB C 13 31.0000 0.3 . 1 . . . A 19 ARG CB . 25864 1 178 . 1 1 19 19 ARG CG C 13 26.8500 0.3 . 1 . . . A 19 ARG CG . 25864 1 179 . 1 1 19 19 ARG CD C 13 43.6000 0.3 . 1 . . . A 19 ARG CD . 25864 1 180 . 1 1 19 19 ARG N N 15 124.1760 0.3 . 1 . . . A 19 ARG N . 25864 1 181 . 1 1 20 20 THR H H 1 8.6750 0.05 . 1 . . . A 20 THR H . 25864 1 182 . 1 1 20 20 THR HA H 1 4.9230 0.05 . 1 . . . A 20 THR HA . 25864 1 183 . 1 1 20 20 THR HB H 1 3.9660 0.05 . 1 . . . A 20 THR HB . 25864 1 184 . 1 1 20 20 THR HG21 H 1 0.9800 0.05 . 1 . . . A 20 THR HG21 . 25864 1 185 . 1 1 20 20 THR HG22 H 1 0.9800 0.05 . 1 . . . A 20 THR HG22 . 25864 1 186 . 1 1 20 20 THR HG23 H 1 0.9800 0.05 . 1 . . . A 20 THR HG23 . 25864 1 187 . 1 1 20 20 THR CA C 13 63.3000 0.3 . 1 . . . A 20 THR CA . 25864 1 188 . 1 1 20 20 THR CB C 13 70.1000 0.3 . 1 . . . A 20 THR CB . 25864 1 189 . 1 1 20 20 THR CG2 C 13 21.9000 0.3 . 1 . . . A 20 THR CG2 . 25864 1 190 . 1 1 20 20 THR N N 15 122.8840 0.3 . 1 . . . A 20 THR N . 25864 1 191 . 1 1 21 21 TYR H H 1 8.7730 0.05 . 1 . . . A 21 TYR H . 25864 1 192 . 1 1 21 21 TYR HA H 1 4.6000 0.05 . 1 . . . A 21 TYR HA . 25864 1 193 . 1 1 21 21 TYR HB2 H 1 2.2770 0.05 . 2 . . . A 21 TYR HB2 . 25864 1 194 . 1 1 21 21 TYR HB3 H 1 2.1530 0.05 . 2 . . . A 21 TYR HB3 . 25864 1 195 . 1 1 21 21 TYR HD1 H 1 6.6900 0.05 . 3 . . . A 21 TYR HD1 . 25864 1 196 . 1 1 21 21 TYR HD2 H 1 6.6900 0.05 . 3 . . . A 21 TYR HD2 . 25864 1 197 . 1 1 21 21 TYR HE1 H 1 6.2800 0.05 . 3 . . . A 21 TYR HE1 . 25864 1 198 . 1 1 21 21 TYR HE2 H 1 6.2800 0.05 . 3 . . . A 21 TYR HE2 . 25864 1 199 . 1 1 21 21 TYR CA C 13 55.3000 0.3 . 1 . . . A 21 TYR CA . 25864 1 200 . 1 1 21 21 TYR CB C 13 38.9900 0.3 . 1 . . . A 21 TYR CB . 25864 1 201 . 1 1 21 21 TYR CD1 C 13 130.4000 0.3 . 3 . . . A 21 TYR CD1 . 25864 1 202 . 1 1 21 21 TYR CD2 C 13 130.4000 0.3 . 3 . . . A 21 TYR CD2 . 25864 1 203 . 1 1 21 21 TYR CE1 C 13 113.5000 0.3 . 3 . . . A 21 TYR CE1 . 25864 1 204 . 1 1 21 21 TYR CE2 C 13 113.5000 0.3 . 3 . . . A 21 TYR CE2 . 25864 1 205 . 1 1 21 21 TYR N N 15 124.9500 0.3 . 1 . . . A 21 TYR N . 25864 1 206 . 1 1 22 22 TYR H H 1 8.6330 0.05 . 1 . . . A 22 TYR H . 25864 1 207 . 1 1 22 22 TYR HA H 1 5.3900 0.05 . 1 . . . A 22 TYR HA . 25864 1 208 . 1 1 22 22 TYR HB2 H 1 2.9650 0.05 . 2 . . . A 22 TYR HB2 . 25864 1 209 . 1 1 22 22 TYR HB3 H 1 2.6220 0.05 . 2 . . . A 22 TYR HB3 . 25864 1 210 . 1 1 22 22 TYR HD1 H 1 6.7850 0.05 . 3 . . . A 22 TYR HD1 . 25864 1 211 . 1 1 22 22 TYR HD2 H 1 6.7850 0.05 . 3 . . . A 22 TYR HD2 . 25864 1 212 . 1 1 22 22 TYR HE1 H 1 6.7800 0.05 . 3 . . . A 22 TYR HE1 . 25864 1 213 . 1 1 22 22 TYR HE2 H 1 6.7800 0.05 . 3 . . . A 22 TYR HE2 . 25864 1 214 . 1 1 22 22 TYR CA C 13 56.8000 0.3 . 1 . . . A 22 TYR CA . 25864 1 215 . 1 1 22 22 TYR CB C 13 42.0000 0.3 . 1 . . . A 22 TYR CB . 25864 1 216 . 1 1 22 22 TYR CD1 C 13 130.4000 0.3 . 3 . . . A 22 TYR CD1 . 25864 1 217 . 1 1 22 22 TYR CD2 C 13 130.4000 0.3 . 3 . . . A 22 TYR CD2 . 25864 1 218 . 1 1 22 22 TYR CE1 C 13 113.5000 0.3 . 3 . . . A 22 TYR CE1 . 25864 1 219 . 1 1 22 22 TYR CE2 C 13 113.5000 0.3 . 3 . . . A 22 TYR CE2 . 25864 1 220 . 1 1 22 22 TYR N N 15 117.1710 0.3 . 1 . . . A 22 TYR N . 25864 1 221 . 1 1 23 23 VAL H H 1 9.0600 0.05 . 1 . . . A 23 VAL H . 25864 1 222 . 1 1 23 23 VAL HA H 1 5.1600 0.05 . 1 . . . A 23 VAL HA . 25864 1 223 . 1 1 23 23 VAL HB H 1 1.7750 0.05 . 1 . . . A 23 VAL HB . 25864 1 224 . 1 1 23 23 VAL HG11 H 1 0.7000 0.05 . 2 . . . A 23 VAL HG11 . 25864 1 225 . 1 1 23 23 VAL HG12 H 1 0.7000 0.05 . 2 . . . A 23 VAL HG12 . 25864 1 226 . 1 1 23 23 VAL HG13 H 1 0.7000 0.05 . 2 . . . A 23 VAL HG13 . 25864 1 227 . 1 1 23 23 VAL HG21 H 1 0.6700 0.05 . 2 . . . A 23 VAL HG21 . 25864 1 228 . 1 1 23 23 VAL HG22 H 1 0.6700 0.05 . 2 . . . A 23 VAL HG22 . 25864 1 229 . 1 1 23 23 VAL HG23 H 1 0.6700 0.05 . 2 . . . A 23 VAL HG23 . 25864 1 230 . 1 1 23 23 VAL CA C 13 59.4700 0.3 . 1 . . . A 23 VAL CA . 25864 1 231 . 1 1 23 23 VAL CB C 13 35.9600 0.3 . 1 . . . A 23 VAL CB . 25864 1 232 . 1 1 23 23 VAL CG1 C 13 21.1000 0.3 . 1 . . . A 23 VAL CG1 . 25864 1 233 . 1 1 23 23 VAL CG2 C 13 20.3000 0.3 . 1 . . . A 23 VAL CG2 . 25864 1 234 . 1 1 23 23 VAL N N 15 121.0940 0.3 . 1 . . . A 23 VAL N . 25864 1 235 . 1 1 24 24 ASN H H 1 8.3000 0.05 . 1 . . . A 24 ASN H . 25864 1 236 . 1 1 24 24 ASN HA H 1 4.5000 0.05 . 1 . . . A 24 ASN HA . 25864 1 237 . 1 1 24 24 ASN HB2 H 1 1.9870 0.05 . 2 . . . A 24 ASN HB2 . 25864 1 238 . 1 1 24 24 ASN HB3 H 1 -0.3900 0.05 . 2 . . . A 24 ASN HB3 . 25864 1 239 . 1 1 24 24 ASN HD21 H 1 6.6900 0.05 . 2 . . . A 24 ASN HD21 . 25864 1 240 . 1 1 24 24 ASN HD22 H 1 4.2500 0.05 . 2 . . . A 24 ASN HD22 . 25864 1 241 . 1 1 24 24 ASN CA C 13 51.1000 0.3 . 1 . . . A 24 ASN CA . 25864 1 242 . 1 1 24 24 ASN CB C 13 37.9000 0.3 . 1 . . . A 24 ASN CB . 25864 1 243 . 1 1 24 24 ASN N N 15 127.6150 0.3 . 1 . . . A 24 ASN N . 25864 1 244 . 1 1 24 24 ASN ND2 N 15 110.1600 0.3 . 1 . . . A 24 ASN ND2 . 25864 1 245 . 1 1 25 25 HIS H H 1 8.3380 0.05 . 1 . . . A 25 HIS H . 25864 1 246 . 1 1 25 25 HIS HA H 1 4.1830 0.05 . 1 . . . A 25 HIS HA . 25864 1 247 . 1 1 25 25 HIS HB2 H 1 3.0090 0.05 . 2 . . . A 25 HIS HB2 . 25864 1 248 . 1 1 25 25 HIS HB3 H 1 3.0100 0.05 . 2 . . . A 25 HIS HB3 . 25864 1 249 . 1 1 25 25 HIS HD2 H 1 6.9200 0.05 . 1 . . . A 25 HIS HD2 . 25864 1 250 . 1 1 25 25 HIS HE1 H 1 7.6500 0.05 . 1 . . . A 25 HIS HE1 . 25864 1 251 . 1 1 25 25 HIS CA C 13 59.2000 0.3 . 1 . . . A 25 HIS CA . 25864 1 252 . 1 1 25 25 HIS CB C 13 30.6400 0.3 . 1 . . . A 25 HIS CB . 25864 1 253 . 1 1 25 25 HIS CD2 C 13 115.5000 0.3 . 1 . . . A 25 HIS CD2 . 25864 1 254 . 1 1 25 25 HIS CE1 C 13 135.5000 0.3 . 1 . . . A 25 HIS CE1 . 25864 1 255 . 1 1 25 25 HIS N N 15 125.6500 0.3 . 1 . . . A 25 HIS N . 25864 1 256 . 1 1 26 26 GLU H H 1 8.4620 0.05 . 1 . . . A 26 GLU H . 25864 1 257 . 1 1 26 26 GLU HA H 1 4.0400 0.05 . 1 . . . A 26 GLU HA . 25864 1 258 . 1 1 26 26 GLU HB2 H 1 2.0080 0.05 . 2 . . . A 26 GLU HB2 . 25864 1 259 . 1 1 26 26 GLU HB3 H 1 2.0080 0.05 . 2 . . . A 26 GLU HB3 . 25864 1 260 . 1 1 26 26 GLU HG2 H 1 2.2020 0.05 . 2 . . . A 26 GLU HG2 . 25864 1 261 . 1 1 26 26 GLU CA C 13 58.7800 0.3 . 1 . . . A 26 GLU CA . 25864 1 262 . 1 1 26 26 GLU CB C 13 29.5000 0.3 . 1 . . . A 26 GLU CB . 25864 1 263 . 1 1 26 26 GLU CG C 13 36.2000 0.3 . 1 . . . A 26 GLU CG . 25864 1 264 . 1 1 26 26 GLU N N 15 121.0830 0.3 . 1 . . . A 26 GLU N . 25864 1 265 . 1 1 27 27 SER H H 1 7.8360 0.05 . 1 . . . A 27 SER H . 25864 1 266 . 1 1 27 27 SER HA H 1 4.3400 0.05 . 1 . . . A 27 SER HA . 25864 1 267 . 1 1 27 27 SER HB2 H 1 3.8130 0.05 . 2 . . . A 27 SER HB2 . 25864 1 268 . 1 1 27 27 SER HB3 H 1 3.5950 0.05 . 2 . . . A 27 SER HB3 . 25864 1 269 . 1 1 27 27 SER CA C 13 58.0000 0.3 . 1 . . . A 27 SER CA . 25864 1 270 . 1 1 27 27 SER CB C 13 64.0000 0.3 . 1 . . . A 27 SER CB . 25864 1 271 . 1 1 27 27 SER N N 15 113.1870 0.3 . 1 . . . A 27 SER N . 25864 1 272 . 1 1 28 28 ARG H H 1 7.8430 0.05 . 1 . . . A 28 ARG H . 25864 1 273 . 1 1 28 28 ARG HA H 1 3.8300 0.05 . 1 . . . A 28 ARG HA . 25864 1 274 . 1 1 28 28 ARG HB2 H 1 2.0420 0.05 . 2 . . . A 28 ARG HB2 . 25864 1 275 . 1 1 28 28 ARG HB3 H 1 1.8740 0.05 . 2 . . . A 28 ARG HB3 . 25864 1 276 . 1 1 28 28 ARG HG2 H 1 1.4900 0.05 . 2 . . . A 28 ARG HG2 . 25864 1 277 . 1 1 28 28 ARG HG3 H 1 1.4900 0.05 . 2 . . . A 28 ARG HG3 . 25864 1 278 . 1 1 28 28 ARG HD2 H 1 3.1500 0.05 . 2 . . . A 28 ARG HD2 . 25864 1 279 . 1 1 28 28 ARG HD3 H 1 3.1000 0.05 . 2 . . . A 28 ARG HD3 . 25864 1 280 . 1 1 28 28 ARG CA C 13 57.0000 0.3 . 1 . . . A 28 ARG CA . 25864 1 281 . 1 1 28 28 ARG CB C 13 26.5000 0.3 . 1 . . . A 28 ARG CB . 25864 1 282 . 1 1 28 28 ARG CG C 13 26.9000 0.3 . 1 . . . A 28 ARG CG . 25864 1 283 . 1 1 28 28 ARG CD C 13 43.2200 0.3 . 1 . . . A 28 ARG CD . 25864 1 284 . 1 1 28 28 ARG N N 15 120.5150 0.3 . 1 . . . A 28 ARG N . 25864 1 285 . 1 1 29 29 THR H H 1 7.5750 0.05 . 1 . . . A 29 THR H . 25864 1 286 . 1 1 29 29 THR HA H 1 4.5600 0.05 . 1 . . . A 29 THR HA . 25864 1 287 . 1 1 29 29 THR HB H 1 3.7700 0.05 . 1 . . . A 29 THR HB . 25864 1 288 . 1 1 29 29 THR HG21 H 1 1.2600 0.05 . 1 . . . A 29 THR HG21 . 25864 1 289 . 1 1 29 29 THR HG22 H 1 1.2600 0.05 . 1 . . . A 29 THR HG22 . 25864 1 290 . 1 1 29 29 THR HG23 H 1 1.2600 0.05 . 1 . . . A 29 THR HG23 . 25864 1 291 . 1 1 29 29 THR CA C 13 61.7000 0.3 . 1 . . . A 29 THR CA . 25864 1 292 . 1 1 29 29 THR CB C 13 70.8700 0.3 . 1 . . . A 29 THR CB . 25864 1 293 . 1 1 29 29 THR CG2 C 13 21.9000 0.3 . 1 . . . A 29 THR CG2 . 25864 1 294 . 1 1 29 29 THR N N 15 114.6780 0.3 . 1 . . . A 29 THR N . 25864 1 295 . 1 1 30 30 THR H H 1 8.3990 0.05 . 1 . . . A 30 THR H . 25864 1 296 . 1 1 30 30 THR HA H 1 5.4600 0.05 . 1 . . . A 30 THR HA . 25864 1 297 . 1 1 30 30 THR HB H 1 3.8920 0.05 . 1 . . . A 30 THR HB . 25864 1 298 . 1 1 30 30 THR HG21 H 1 1.0000 0.05 . 1 . . . A 30 THR HG21 . 25864 1 299 . 1 1 30 30 THR HG22 H 1 1.0000 0.05 . 1 . . . A 30 THR HG22 . 25864 1 300 . 1 1 30 30 THR HG23 H 1 1.0000 0.05 . 1 . . . A 30 THR HG23 . 25864 1 301 . 1 1 30 30 THR CA C 13 60.6000 0.3 . 1 . . . A 30 THR CA . 25864 1 302 . 1 1 30 30 THR CB C 13 71.2500 0.3 . 1 . . . A 30 THR CB . 25864 1 303 . 1 1 30 30 THR CG2 C 13 21.9000 0.3 . 1 . . . A 30 THR CG2 . 25864 1 304 . 1 1 30 30 THR N N 15 120.0590 0.3 . 1 . . . A 30 THR N . 25864 1 305 . 1 1 31 31 GLN H H 1 9.3670 0.05 . 1 . . . A 31 GLN H . 25864 1 306 . 1 1 31 31 GLN HA H 1 4.8800 0.05 . 1 . . . A 31 GLN HA . 25864 1 307 . 1 1 31 31 GLN HB2 H 1 2.2600 0.05 . 2 . . . A 31 GLN HB2 . 25864 1 308 . 1 1 31 31 GLN HB3 H 1 2.1500 0.05 . 2 . . . A 31 GLN HB3 . 25864 1 309 . 1 1 31 31 GLN HG2 H 1 2.5350 0.05 . 2 . . . A 31 GLN HG2 . 25864 1 310 . 1 1 31 31 GLN HG3 H 1 2.4130 0.05 . 2 . . . A 31 GLN HG3 . 25864 1 311 . 1 1 31 31 GLN HE21 H 1 7.3900 0.05 . 2 . . . A 31 GLN HE21 . 25864 1 312 . 1 1 31 31 GLN HE22 H 1 6.7500 0.05 . 2 . . . A 31 GLN HE22 . 25864 1 313 . 1 1 31 31 GLN CA C 13 54.5000 0.3 . 1 . . . A 31 GLN CA . 25864 1 314 . 1 1 31 31 GLN CB C 13 32.3000 0.3 . 1 . . . A 31 GLN CB . 25864 1 315 . 1 1 31 31 GLN CG C 13 32.3000 0.3 . 1 . . . A 31 GLN CG . 25864 1 316 . 1 1 31 31 GLN N N 15 120.5130 0.3 . 1 . . . A 31 GLN N . 25864 1 317 . 1 1 31 31 GLN NE2 N 15 113.8000 0.3 . 1 . . . A 31 GLN NE2 . 25864 1 318 . 1 1 32 32 TRP H H 1 8.4800 0.05 . 1 . . . A 32 TRP H . 25864 1 319 . 1 1 32 32 TRP HA H 1 4.8800 0.05 . 1 . . . A 32 TRP HA . 25864 1 320 . 1 1 32 32 TRP HB2 H 1 3.5880 0.05 . 2 . . . A 32 TRP HB2 . 25864 1 321 . 1 1 32 32 TRP HB3 H 1 3.1200 0.05 . 2 . . . A 32 TRP HB3 . 25864 1 322 . 1 1 32 32 TRP HD1 H 1 7.3680 0.05 . 1 . . . A 32 TRP HD1 . 25864 1 323 . 1 1 32 32 TRP HE1 H 1 10.0830 0.05 . 1 . . . A 32 TRP HE1 . 25864 1 324 . 1 1 32 32 TRP HE3 H 1 8.0270 0.05 . 1 . . . A 32 TRP HE3 . 25864 1 325 . 1 1 32 32 TRP HZ2 H 1 7.2700 0.05 . 1 . . . A 32 TRP HZ2 . 25864 1 326 . 1 1 32 32 TRP HZ3 H 1 6.8800 0.05 . 1 . . . A 32 TRP HZ3 . 25864 1 327 . 1 1 32 32 TRP HH2 H 1 7.1080 0.05 . 1 . . . A 32 TRP HH2 . 25864 1 328 . 1 1 32 32 TRP CA C 13 58.7000 0.3 . 1 . . . A 32 TRP CA . 25864 1 329 . 1 1 32 32 TRP CB C 13 30.2000 0.3 . 1 . . . A 32 TRP CB . 25864 1 330 . 1 1 32 32 TRP CD1 C 13 124.2000 0.3 . 1 . . . A 32 TRP CD1 . 25864 1 331 . 1 1 32 32 TRP CE3 C 13 118.1000 0.3 . 1 . . . A 32 TRP CE3 . 25864 1 332 . 1 1 32 32 TRP CZ2 C 13 110.4000 0.3 . 1 . . . A 32 TRP CZ2 . 25864 1 333 . 1 1 32 32 TRP CZ3 C 13 118.6000 0.3 . 1 . . . A 32 TRP CZ3 . 25864 1 334 . 1 1 32 32 TRP CH2 C 13 121.2000 0.3 . 1 . . . A 32 TRP CH2 . 25864 1 335 . 1 1 32 32 TRP N N 15 121.7330 0.3 . 1 . . . A 32 TRP N . 25864 1 336 . 1 1 32 32 TRP NE1 N 15 129.9600 0.3 . 1 . . . A 32 TRP NE1 . 25864 1 337 . 1 1 33 33 LYS H H 1 7.5410 0.05 . 1 . . . A 33 LYS H . 25864 1 338 . 1 1 33 33 LYS HA H 1 4.3400 0.05 . 1 . . . A 33 LYS HA . 25864 1 339 . 1 1 33 33 LYS HB2 H 1 1.6800 0.05 . 2 . . . A 33 LYS HB2 . 25864 1 340 . 1 1 33 33 LYS HB3 H 1 1.5800 0.05 . 2 . . . A 33 LYS HB3 . 25864 1 341 . 1 1 33 33 LYS HG2 H 1 1.3300 0.05 . 2 . . . A 33 LYS HG2 . 25864 1 342 . 1 1 33 33 LYS HG3 H 1 1.2700 0.05 . 2 . . . A 33 LYS HG3 . 25864 1 343 . 1 1 33 33 LYS HD2 H 1 2.9300 0.05 . 2 . . . A 33 LYS HD2 . 25864 1 344 . 1 1 33 33 LYS HD3 H 1 2.9200 0.05 . 2 . . . A 33 LYS HD3 . 25864 1 345 . 1 1 33 33 LYS CA C 13 55.3000 0.3 . 1 . . . A 33 LYS CA . 25864 1 346 . 1 1 33 33 LYS CB C 13 33.6800 0.3 . 1 . . . A 33 LYS CB . 25864 1 347 . 1 1 33 33 LYS CG C 13 24.3000 0.3 . 1 . . . A 33 LYS CG . 25864 1 348 . 1 1 33 33 LYS CD C 13 42.0000 0.3 . 1 . . . A 33 LYS CD . 25864 1 349 . 1 1 33 33 LYS N N 15 120.3870 0.3 . 1 . . . A 33 LYS N . 25864 1 350 . 1 1 34 34 ARG H H 1 8.5290 0.05 . 1 . . . A 34 ARG H . 25864 1 351 . 1 1 34 34 ARG HA H 1 2.7200 0.05 . 1 . . . A 34 ARG HA . 25864 1 352 . 1 1 34 34 ARG HB2 H 1 1.3800 0.05 . 2 . . . A 34 ARG HB2 . 25864 1 353 . 1 1 34 34 ARG HB3 H 1 1.3600 0.05 . 2 . . . A 34 ARG HB3 . 25864 1 354 . 1 1 34 34 ARG HG2 H 1 1.1800 0.05 . 2 . . . A 34 ARG HG2 . 25864 1 355 . 1 1 34 34 ARG HG3 H 1 0.8550 0.05 . 2 . . . A 34 ARG HG3 . 25864 1 356 . 1 1 34 34 ARG HD2 H 1 3.0200 0.05 . 2 . . . A 34 ARG HD2 . 25864 1 357 . 1 1 34 34 ARG HD3 H 1 3.0200 0.05 . 2 . . . A 34 ARG HD3 . 25864 1 358 . 1 1 34 34 ARG CA C 13 54.5000 0.3 . 1 . . . A 34 ARG CA . 25864 1 359 . 1 1 34 34 ARG CB C 13 30.0000 0.3 . 1 . . . A 34 ARG CB . 25864 1 360 . 1 1 34 34 ARG CG C 13 27.6000 0.3 . 1 . . . A 34 ARG CG . 25864 1 361 . 1 1 34 34 ARG CD C 13 43.6000 0.3 . 1 . . . A 34 ARG CD . 25864 1 362 . 1 1 34 34 ARG N N 15 129.0600 0.3 . 1 . . . A 34 ARG N . 25864 1 363 . 1 1 35 35 PRO HA H 1 3.8400 0.05 . 1 . . . A 35 PRO HA . 25864 1 364 . 1 1 35 35 PRO HB2 H 1 0.7100 0.05 . 2 . . . A 35 PRO HB2 . 25864 1 365 . 1 1 35 35 PRO HB3 H 1 0.7000 0.05 . 2 . . . A 35 PRO HB3 . 25864 1 366 . 1 1 35 35 PRO HG2 H 1 0.5090 0.05 . 2 . . . A 35 PRO HG2 . 25864 1 367 . 1 1 35 35 PRO HG3 H 1 0.0150 0.05 . 2 . . . A 35 PRO HG3 . 25864 1 368 . 1 1 35 35 PRO HD2 H 1 2.5120 0.05 . 2 . . . A 35 PRO HD2 . 25864 1 369 . 1 1 35 35 PRO HD3 H 1 2.2020 0.05 . 2 . . . A 35 PRO HD3 . 25864 1 370 . 1 1 35 35 PRO CA C 13 62.0600 0.3 . 1 . . . A 35 PRO CA . 25864 1 371 . 1 1 35 35 PRO CB C 13 30.9400 0.3 . 1 . . . A 35 PRO CB . 25864 1 372 . 1 1 35 35 PRO CG C 13 26.0000 0.3 . 1 . . . A 35 PRO CG . 25864 1 373 . 1 1 35 35 PRO CD C 13 50.1800 0.3 . 1 . . . A 35 PRO CD . 25864 1 374 . 1 1 36 36 SER H H 1 8.1940 0.05 . 1 . . . A 36 SER H . 25864 1 375 . 1 1 36 36 SER HA H 1 4.6570 0.05 . 1 . . . A 36 SER HA . 25864 1 376 . 1 1 36 36 SER HB2 H 1 3.7800 0.05 . 2 . . . A 36 SER HB2 . 25864 1 377 . 1 1 36 36 SER HB3 H 1 3.7200 0.05 . 2 . . . A 36 SER HB3 . 25864 1 378 . 1 1 36 36 SER CA C 13 56.1000 0.3 . 1 . . . A 36 SER CA . 25864 1 379 . 1 1 36 36 SER CB C 13 64.0000 0.3 . 1 . . . A 36 SER CB . 25864 1 380 . 1 1 36 36 SER N N 15 119.0370 0.3 . 1 . . . A 36 SER N . 25864 1 381 . 1 1 37 37 PRO HA H 1 4.3000 0.05 . 1 . . . A 37 PRO HA . 25864 1 382 . 1 1 37 37 PRO HB2 H 1 2.3000 0.05 . 2 . . . A 37 PRO HB2 . 25864 1 383 . 1 1 37 37 PRO HB3 H 1 1.9400 0.05 . 2 . . . A 37 PRO HB3 . 25864 1 384 . 1 1 37 37 PRO HG2 H 1 2.0500 0.05 . 2 . . . A 37 PRO HG2 . 25864 1 385 . 1 1 37 37 PRO HG3 H 1 1.9300 0.05 . 2 . . . A 37 PRO HG3 . 25864 1 386 . 1 1 37 37 PRO HD2 H 1 3.7800 0.05 . 2 . . . A 37 PRO HD2 . 25864 1 387 . 1 1 37 37 PRO HD3 H 1 3.7200 0.05 . 2 . . . A 37 PRO HD3 . 25864 1 388 . 1 1 37 37 PRO CA C 13 64.0500 0.3 . 1 . . . A 37 PRO CA . 25864 1 389 . 1 1 37 37 PRO CB C 13 32.1500 0.3 . 1 . . . A 37 PRO CB . 25864 1 390 . 1 1 37 37 PRO CG C 13 27.6000 0.3 . 1 . . . A 37 PRO CG . 25864 1 391 . 1 1 37 37 PRO CD C 13 50.6000 0.3 . 1 . . . A 37 PRO CD . 25864 1 392 . 1 1 38 38 GLU H H 1 8.2920 0.05 . 1 . . . A 38 GLU H . 25864 1 393 . 1 1 38 38 GLU HA H 1 4.2900 0.05 . 1 . . . A 38 GLU HA . 25864 1 394 . 1 1 38 38 GLU HB2 H 1 2.1100 0.05 . 2 . . . A 38 GLU HB2 . 25864 1 395 . 1 1 38 38 GLU HB3 H 1 1.8400 0.05 . 2 . . . A 38 GLU HB3 . 25864 1 396 . 1 1 38 38 GLU HG2 H 1 2.2300 0.05 . 2 . . . A 38 GLU HG2 . 25864 1 397 . 1 1 38 38 GLU HG3 H 1 2.2300 0.05 . 2 . . . A 38 GLU HG3 . 25864 1 398 . 1 1 38 38 GLU CA C 13 56.4400 0.3 . 1 . . . A 38 GLU CA . 25864 1 399 . 1 1 38 38 GLU CB C 13 30.2700 0.3 . 1 . . . A 38 GLU CB . 25864 1 400 . 1 1 38 38 GLU CG C 13 36.6000 0.3 . 1 . . . A 38 GLU CG . 25864 1 401 . 1 1 38 38 GLU N N 15 119.6170 0.3 . 1 . . . A 38 GLU N . 25864 1 402 . 1 1 39 39 ASP H H 1 7.6400 0.05 . 1 . . . A 39 ASP H . 25864 1 403 . 1 1 39 39 ASP HA H 1 4.3300 0.05 . 1 . . . A 39 ASP HA . 25864 1 404 . 1 1 39 39 ASP HB2 H 1 2.7000 0.05 . 2 . . . A 39 ASP HB2 . 25864 1 405 . 1 1 39 39 ASP HB3 H 1 2.5670 0.05 . 2 . . . A 39 ASP HB3 . 25864 1 406 . 1 1 39 39 ASP CA C 13 56.4400 0.3 . 1 . . . A 39 ASP CA . 25864 1 407 . 1 1 39 39 ASP CB C 13 42.0000 0.3 . 1 . . . A 39 ASP CB . 25864 1 408 . 1 1 39 39 ASP N N 15 127.8400 0.3 . 1 . . . A 39 ASP N . 25864 1 stop_ save_