################################### # 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 25433 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.18 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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 'APSY 4D-HACANH' . . . 25433 1 2 'APSY 5D-HACACONH' . . . 25433 1 3 'APSY 5D-CBCACONH' . . . 25433 1 5 '3D 1H-15N NOESY' . . . 25433 1 6 '3D 1H-13C NOESY aliphatic' . . . 25433 1 7 '3D 1H-13C NOESY aromatic' . . . 25433 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 7 7 ASN H H 1 8.535 0.007 . . . . . A 7 ASN H . 25433 1 2 . 1 1 7 7 ASN HB2 H 1 2.732 0.007 . . . . . A 7 ASN HB2 . 25433 1 3 . 1 1 7 7 ASN HB3 H 1 2.830 0.007 . . . . . A 7 ASN HB3 . 25433 1 4 . 1 1 7 7 ASN HD21 H 1 6.845 0.007 . . . . . A 7 ASN HD21 . 25433 1 5 . 1 1 7 7 ASN HD22 H 1 7.564 0.007 . . . . . A 7 ASN HD22 . 25433 1 6 . 1 1 7 7 ASN CB C 13 30.000 0.18 . . . . . A 7 ASN CB . 25433 1 7 . 1 1 7 7 ASN N N 15 121.300 0.12 . . . . . A 7 ASN N . 25433 1 8 . 1 1 7 7 ASN ND2 N 15 111.451 0.12 . . . . . A 7 ASN ND2 . 25433 1 9 . 1 1 8 8 GLU H H 1 8.372 0.007 . . . . . A 8 GLU H . 25433 1 10 . 1 1 8 8 GLU HA H 1 4.440 0.007 . . . . . A 8 GLU HA . 25433 1 11 . 1 1 8 8 GLU HB2 H 1 1.906 0.007 . . . . . A 8 GLU HB2 . 25433 1 12 . 1 1 8 8 GLU HB3 H 1 2.199 0.007 . . . . . A 8 GLU HB3 . 25433 1 13 . 1 1 8 8 GLU HG2 H 1 2.166 0.007 . . . . . A 8 GLU HG2 . 25433 1 14 . 1 1 8 8 GLU HG3 H 1 2.267 0.007 . . . . . A 8 GLU HG3 . 25433 1 15 . 1 1 8 8 GLU C C 13 175.693 0.18 . . . . . A 8 GLU C . 25433 1 16 . 1 1 8 8 GLU CA C 13 55.855 0.18 . . . . . A 8 GLU CA . 25433 1 17 . 1 1 8 8 GLU CB C 13 31.029 0.18 . . . . . A 8 GLU CB . 25433 1 18 . 1 1 8 8 GLU CG C 13 36.658 0.18 . . . . . A 8 GLU CG . 25433 1 19 . 1 1 8 8 GLU N N 15 119.801 0.12 . . . . . A 8 GLU N . 25433 1 20 . 1 1 9 9 ASP H H 1 8.158 0.007 . . . . . A 9 ASP H . 25433 1 21 . 1 1 9 9 ASP HA H 1 4.727 0.007 . . . . . A 9 ASP HA . 25433 1 22 . 1 1 9 9 ASP HB2 H 1 2.510 0.007 . . . . . A 9 ASP HB2 . 25433 1 23 . 1 1 9 9 ASP HB3 H 1 2.580 0.007 . . . . . A 9 ASP HB3 . 25433 1 24 . 1 1 9 9 ASP C C 13 175.618 0.18 . . . . . A 9 ASP C . 25433 1 25 . 1 1 9 9 ASP CA C 13 54.857 0.18 . . . . . A 9 ASP CA . 25433 1 26 . 1 1 9 9 ASP CB C 13 41.330 0.18 . . . . . A 9 ASP CB . 25433 1 27 . 1 1 9 9 ASP N N 15 120.567 0.12 . . . . . A 9 ASP N . 25433 1 28 . 1 1 10 10 TRP H H 1 8.476 0.007 . . . . . A 10 TRP H . 25433 1 29 . 1 1 10 10 TRP HA H 1 5.014 0.007 . . . . . A 10 TRP HA . 25433 1 30 . 1 1 10 10 TRP HB2 H 1 3.283 0.007 . . . . . A 10 TRP HB2 . 25433 1 31 . 1 1 10 10 TRP HB3 H 1 3.105 0.007 . . . . . A 10 TRP HB3 . 25433 1 32 . 1 1 10 10 TRP HD1 H 1 7.081 0.007 . . . . . A 10 TRP HD1 . 25433 1 33 . 1 1 10 10 TRP HE1 H 1 9.678 0.007 . . . . . A 10 TRP HE1 . 25433 1 34 . 1 1 10 10 TRP HE3 H 1 7.287 0.007 . . . . . A 10 TRP HE3 . 25433 1 35 . 1 1 10 10 TRP HZ2 H 1 6.676 0.007 . . . . . A 10 TRP HZ2 . 25433 1 36 . 1 1 10 10 TRP HZ3 H 1 6.946 0.007 . . . . . A 10 TRP HZ3 . 25433 1 37 . 1 1 10 10 TRP HH2 H 1 6.758 0.007 . . . . . A 10 TRP HH2 . 25433 1 38 . 1 1 10 10 TRP C C 13 173.732 0.18 . . . . . A 10 TRP C . 25433 1 39 . 1 1 10 10 TRP CA C 13 54.037 0.18 . . . . . A 10 TRP CA . 25433 1 40 . 1 1 10 10 TRP CB C 13 31.370 0.18 . . . . . A 10 TRP CB . 25433 1 41 . 1 1 10 10 TRP CD1 C 13 125.275 0.18 . . . . . A 10 TRP CD1 . 25433 1 42 . 1 1 10 10 TRP CE3 C 13 118.065 0.18 . . . . . A 10 TRP CE3 . 25433 1 43 . 1 1 10 10 TRP CZ2 C 13 110.966 0.18 . . . . . A 10 TRP CZ2 . 25433 1 44 . 1 1 10 10 TRP CZ3 C 13 118.400 0.18 . . . . . A 10 TRP CZ3 . 25433 1 45 . 1 1 10 10 TRP CH2 C 13 120.669 0.18 . . . . . A 10 TRP CH2 . 25433 1 46 . 1 1 10 10 TRP N N 15 116.757 0.12 . . . . . A 10 TRP N . 25433 1 47 . 1 1 10 10 TRP NE1 N 15 128.795 0.12 . . . . . A 10 TRP NE1 . 25433 1 48 . 1 1 11 11 LEU H H 1 8.810 0.007 . . . . . A 11 LEU H . 25433 1 49 . 1 1 11 11 LEU HA H 1 4.519 0.007 . . . . . A 11 LEU HA . 25433 1 50 . 1 1 11 11 LEU HB3 H 1 1.496 0.007 . . . . . A 11 LEU HB3 . 25433 1 51 . 1 1 11 11 LEU HG H 1 1.326 0.007 . . . . . A 11 LEU HG . 25433 1 52 . 1 1 11 11 LEU HD11 H 1 0.702 0.007 . . . . . A 11 LEU QD1 . 25433 1 53 . 1 1 11 11 LEU HD12 H 1 0.702 0.007 . . . . . A 11 LEU QD1 . 25433 1 54 . 1 1 11 11 LEU HD13 H 1 0.702 0.007 . . . . . A 11 LEU QD1 . 25433 1 55 . 1 1 11 11 LEU HD21 H 1 0.737 0.007 . . . . . A 11 LEU QD2 . 25433 1 56 . 1 1 11 11 LEU HD22 H 1 0.737 0.007 . . . . . A 11 LEU QD2 . 25433 1 57 . 1 1 11 11 LEU HD23 H 1 0.737 0.007 . . . . . A 11 LEU QD2 . 25433 1 58 . 1 1 11 11 LEU C C 13 176.547 0.18 . . . . . A 11 LEU C . 25433 1 59 . 1 1 11 11 LEU CA C 13 53.317 0.18 . . . . . A 11 LEU CA . 25433 1 60 . 1 1 11 11 LEU CB C 13 43.660 0.18 . . . . . A 11 LEU CB . 25433 1 61 . 1 1 11 11 LEU CG C 13 26.929 0.18 . . . . . A 11 LEU CG . 25433 1 62 . 1 1 11 11 LEU CD1 C 13 24.178 0.18 . . . . . A 11 LEU CD1 . 25433 1 63 . 1 1 11 11 LEU CD2 C 13 24.729 0.18 . . . . . A 11 LEU CD2 . 25433 1 64 . 1 1 11 11 LEU N N 15 122.486 0.12 . . . . . A 11 LEU N . 25433 1 65 . 1 1 12 12 CYS H H 1 8.574 0.007 . . . . . A 12 CYS H . 25433 1 66 . 1 1 12 12 CYS HA H 1 4.587 0.007 . . . . . A 12 CYS HA . 25433 1 67 . 1 1 12 12 CYS HB2 H 1 3.027 0.007 . . . . . A 12 CYS HB2 . 25433 1 68 . 1 1 12 12 CYS HB3 H 1 2.573 0.007 . . . . . A 12 CYS HB3 . 25433 1 69 . 1 1 12 12 CYS C C 13 177.636 0.18 . . . . . A 12 CYS C . 25433 1 70 . 1 1 12 12 CYS CA C 13 59.506 0.18 . . . . . A 12 CYS CA . 25433 1 71 . 1 1 12 12 CYS CB C 13 31.330 0.18 . . . . . A 12 CYS CB . 25433 1 72 . 1 1 12 12 CYS N N 15 126.739 0.12 . . . . . A 12 CYS N . 25433 1 73 . 1 1 13 13 ASN H H 1 9.229 0.007 . . . . . A 13 ASN H . 25433 1 74 . 1 1 13 13 ASN HA H 1 4.534 0.007 . . . . . A 13 ASN HA . 25433 1 75 . 1 1 13 13 ASN HB2 H 1 2.895 0.007 . . . . . A 13 ASN HB2 . 25433 1 76 . 1 1 13 13 ASN HB3 H 1 2.795 0.007 . . . . . A 13 ASN HB3 . 25433 1 77 . 1 1 13 13 ASN HD21 H 1 6.883 0.007 . . . . . A 13 ASN HD21 . 25433 1 78 . 1 1 13 13 ASN HD22 H 1 7.513 0.007 . . . . . A 13 ASN HD22 . 25433 1 79 . 1 1 13 13 ASN C C 13 175.471 0.18 . . . . . A 13 ASN C . 25433 1 80 . 1 1 13 13 ASN CA C 13 54.972 0.18 . . . . . A 13 ASN CA . 25433 1 81 . 1 1 13 13 ASN CB C 13 38.776 0.18 . . . . . A 13 ASN CB . 25433 1 82 . 1 1 13 13 ASN N N 15 127.516 0.12 . . . . . A 13 ASN N . 25433 1 83 . 1 1 13 13 ASN ND2 N 15 111.204 0.12 . . . . . A 13 ASN ND2 . 25433 1 84 . 1 1 14 14 LYS H H 1 9.274 0.007 . . . . . A 14 LYS H . 25433 1 85 . 1 1 14 14 LYS HA H 1 4.359 0.007 . . . . . A 14 LYS HA . 25433 1 86 . 1 1 14 14 LYS HB2 H 1 1.966 0.007 . . . . . A 14 LYS HB2 . 25433 1 87 . 1 1 14 14 LYS HG2 H 1 1.435 0.007 . . . . . A 14 LYS HG2 . 25433 1 88 . 1 1 14 14 LYS HG3 H 1 1.466 0.007 . . . . . A 14 LYS HG3 . 25433 1 89 . 1 1 14 14 LYS HD2 H 1 1.645 0.007 . . . . . A 14 LYS QD . 25433 1 90 . 1 1 14 14 LYS HD3 H 1 1.645 0.007 . . . . . A 14 LYS QD . 25433 1 91 . 1 1 14 14 LYS HE2 H 1 2.931 0.007 . . . . . A 14 LYS QE . 25433 1 92 . 1 1 14 14 LYS HE3 H 1 2.931 0.007 . . . . . A 14 LYS QE . 25433 1 93 . 1 1 14 14 LYS C C 13 178.199 0.18 . . . . . A 14 LYS C . 25433 1 94 . 1 1 14 14 LYS CA C 13 57.428 0.18 . . . . . A 14 LYS CA . 25433 1 95 . 1 1 14 14 LYS CB C 13 32.706 0.18 . . . . . A 14 LYS CB . 25433 1 96 . 1 1 14 14 LYS CG C 13 24.750 0.18 . . . . . A 14 LYS CG . 25433 1 97 . 1 1 14 14 LYS CD C 13 29.129 0.18 . . . . . A 14 LYS CD . 25433 1 98 . 1 1 14 14 LYS CE C 13 42.150 0.18 . . . . . A 14 LYS CE . 25433 1 99 . 1 1 14 14 LYS N N 15 120.919 0.12 . . . . . A 14 LYS N . 25433 1 100 . 1 1 15 15 CYS H H 1 9.014 0.007 . . . . . A 15 CYS H . 25433 1 101 . 1 1 15 15 CYS HA H 1 4.722 0.007 . . . . . A 15 CYS HA . 25433 1 102 . 1 1 15 15 CYS HB2 H 1 2.543 0.007 . . . . . A 15 CYS HB2 . 25433 1 103 . 1 1 15 15 CYS HB3 H 1 2.995 0.007 . . . . . A 15 CYS HB3 . 25433 1 104 . 1 1 15 15 CYS CB C 13 32.353 0.18 . . . . . A 15 CYS CB . 25433 1 105 . 1 1 15 15 CYS N N 15 119.236 0.12 . . . . . A 15 CYS N . 25433 1 106 . 1 1 16 16 GLY H H 1 7.817 0.007 . . . . . A 16 GLY H . 25433 1 107 . 1 1 16 16 GLY HA2 H 1 3.830 0.007 . . . . . A 16 GLY HA2 . 25433 1 108 . 1 1 16 16 GLY HA3 H 1 4.064 0.007 . . . . . A 16 GLY HA3 . 25433 1 109 . 1 1 16 16 GLY CA C 13 46.295 0.18 . . . . . A 16 GLY CA . 25433 1 110 . 1 1 16 16 GLY N N 15 110.235 0.12 . . . . . A 16 GLY N . 25433 1 111 . 1 1 17 17 VAL H H 1 8.220 0.007 . . . . . A 17 VAL H . 25433 1 112 . 1 1 17 17 VAL HA H 1 4.250 0.007 . . . . . A 17 VAL HA . 25433 1 113 . 1 1 17 17 VAL HB H 1 2.075 0.007 . . . . . A 17 VAL HB . 25433 1 114 . 1 1 17 17 VAL HG11 H 1 0.663 0.007 . . . . . A 17 VAL QG1 . 25433 1 115 . 1 1 17 17 VAL HG12 H 1 0.663 0.007 . . . . . A 17 VAL QG1 . 25433 1 116 . 1 1 17 17 VAL HG13 H 1 0.663 0.007 . . . . . A 17 VAL QG1 . 25433 1 117 . 1 1 17 17 VAL HG21 H 1 0.717 0.007 . . . . . A 17 VAL QG2 . 25433 1 118 . 1 1 17 17 VAL HG22 H 1 0.717 0.007 . . . . . A 17 VAL QG2 . 25433 1 119 . 1 1 17 17 VAL HG23 H 1 0.717 0.007 . . . . . A 17 VAL QG2 . 25433 1 120 . 1 1 17 17 VAL CA C 13 61.124 0.18 . . . . . A 17 VAL CA . 25433 1 121 . 1 1 17 17 VAL CB C 13 33.392 0.18 . . . . . A 17 VAL CB . 25433 1 122 . 1 1 17 17 VAL CG1 C 13 22.057 0.18 . . . . . A 17 VAL CG1 . 25433 1 123 . 1 1 17 17 VAL CG2 C 13 22.050 0.18 . . . . . A 17 VAL CG2 . 25433 1 124 . 1 1 17 17 VAL N N 15 121.337 0.12 . . . . . A 17 VAL N . 25433 1 125 . 1 1 18 18 GLN H H 1 8.218 0.007 . . . . . A 18 GLN H . 25433 1 126 . 1 1 18 18 GLN HA H 1 4.353 0.007 . . . . . A 18 GLN HA . 25433 1 127 . 1 1 18 18 GLN HB2 H 1 1.750 0.007 . . . . . A 18 GLN HB2 . 25433 1 128 . 1 1 18 18 GLN HB3 H 1 1.785 0.007 . . . . . A 18 GLN HB3 . 25433 1 129 . 1 1 18 18 GLN HG2 H 1 2.003 0.007 . . . . . A 18 GLN HG2 . 25433 1 130 . 1 1 18 18 GLN HE21 H 1 7.511 0.007 . . . . . A 18 GLN HE21 . 25433 1 131 . 1 1 18 18 GLN HE22 H 1 6.680 0.007 . . . . . A 18 GLN HE22 . 25433 1 132 . 1 1 18 18 GLN C C 13 174.823 0.18 . . . . . A 18 GLN C . 25433 1 133 . 1 1 18 18 GLN CA C 13 55.308 0.18 . . . . . A 18 GLN CA . 25433 1 134 . 1 1 18 18 GLN CB C 13 29.505 0.18 . . . . . A 18 GLN CB . 25433 1 135 . 1 1 18 18 GLN CG C 13 34.009 0.18 . . . . . A 18 GLN CG . 25433 1 136 . 1 1 18 18 GLN N N 15 121.310 0.12 . . . . . A 18 GLN N . 25433 1 137 . 1 1 18 18 GLN NE2 N 15 110.535 0.12 . . . . . A 18 GLN NE2 . 25433 1 138 . 1 1 19 19 ASN H H 1 9.041 0.007 . . . . . A 19 ASN H . 25433 1 139 . 1 1 19 19 ASN HA H 1 4.490 0.007 . . . . . A 19 ASN HA . 25433 1 140 . 1 1 19 19 ASN HB2 H 1 1.401 0.007 . . . . . A 19 ASN HB2 . 25433 1 141 . 1 1 19 19 ASN HB3 H 1 0.238 0.007 . . . . . A 19 ASN HB3 . 25433 1 142 . 1 1 19 19 ASN HD21 H 1 7.842 0.007 . . . . . A 19 ASN QD2 . 25433 1 143 . 1 1 19 19 ASN HD22 H 1 7.842 0.007 . . . . . A 19 ASN QD2 . 25433 1 144 . 1 1 19 19 ASN C C 13 173.360 0.18 . . . . . A 19 ASN C . 25433 1 145 . 1 1 19 19 ASN CA C 13 52.058 0.18 . . . . . A 19 ASN CA . 25433 1 146 . 1 1 19 19 ASN CB C 13 43.372 0.18 . . . . . A 19 ASN CB . 25433 1 147 . 1 1 19 19 ASN N N 15 122.482 0.12 . . . . . A 19 ASN N . 25433 1 148 . 1 1 19 19 ASN ND2 N 15 117.529 0.12 . . . . . A 19 ASN ND2 . 25433 1 149 . 1 1 20 20 PHE H H 1 7.846 0.007 . . . . . A 20 PHE H . 25433 1 150 . 1 1 20 20 PHE HA H 1 4.658 0.007 . . . . . A 20 PHE HA . 25433 1 151 . 1 1 20 20 PHE HB2 H 1 2.963 0.007 . . . . . A 20 PHE HB2 . 25433 1 152 . 1 1 20 20 PHE HB3 H 1 3.103 0.007 . . . . . A 20 PHE HB3 . 25433 1 153 . 1 1 20 20 PHE HD1 H 1 7.313 0.007 . . . . . A 20 PHE QD . 25433 1 154 . 1 1 20 20 PHE HD2 H 1 7.313 0.007 . . . . . A 20 PHE QD . 25433 1 155 . 1 1 20 20 PHE C C 13 176.810 0.18 . . . . . A 20 PHE C . 25433 1 156 . 1 1 20 20 PHE CA C 13 56.786 0.18 . . . . . A 20 PHE CA . 25433 1 157 . 1 1 20 20 PHE CB C 13 40.003 0.18 . . . . . A 20 PHE CB . 25433 1 158 . 1 1 20 20 PHE CD1 C 13 128.992 0.18 . . . . . A 20 PHE CD1 . 25433 1 159 . 1 1 20 20 PHE CD2 C 13 128.992 0.18 . . . . . A 20 PHE CD2 . 25433 1 160 . 1 1 20 20 PHE N N 15 117.484 0.12 . . . . . A 20 PHE N . 25433 1 161 . 1 1 21 21 LYS H H 1 8.516 0.007 . . . . . A 21 LYS H . 25433 1 162 . 1 1 21 21 LYS HA H 1 4.128 0.007 . . . . . A 21 LYS HA . 25433 1 163 . 1 1 21 21 LYS HB2 H 1 1.792 0.007 . . . . . A 21 LYS HB2 . 25433 1 164 . 1 1 21 21 LYS HB3 H 1 1.719 0.007 . . . . . A 21 LYS HB3 . 25433 1 165 . 1 1 21 21 LYS HG2 H 1 1.164 0.007 . . . . . A 21 LYS HG2 . 25433 1 166 . 1 1 21 21 LYS HG3 H 1 1.047 0.007 . . . . . A 21 LYS HG3 . 25433 1 167 . 1 1 21 21 LYS HD2 H 1 1.576 0.007 . . . . . A 21 LYS QD . 25433 1 168 . 1 1 21 21 LYS HD3 H 1 1.576 0.007 . . . . . A 21 LYS QD . 25433 1 169 . 1 1 21 21 LYS HE2 H 1 2.882 0.007 . . . . . A 21 LYS QE . 25433 1 170 . 1 1 21 21 LYS HE3 H 1 2.882 0.007 . . . . . A 21 LYS QE . 25433 1 171 . 1 1 21 21 LYS C C 13 176.254 0.18 . . . . . A 21 LYS C . 25433 1 172 . 1 1 21 21 LYS CA C 13 58.878 0.18 . . . . . A 21 LYS CA . 25433 1 173 . 1 1 21 21 LYS CB C 13 32.334 0.18 . . . . . A 21 LYS CB . 25433 1 174 . 1 1 21 21 LYS CG C 13 23.813 0.18 . . . . . A 21 LYS CG . 25433 1 175 . 1 1 21 21 LYS CD C 13 29.514 0.18 . . . . . A 21 LYS CD . 25433 1 176 . 1 1 21 21 LYS N N 15 120.464 0.12 . . . . . A 21 LYS N . 25433 1 177 . 1 1 22 22 ARG H H 1 7.125 0.007 . . . . . A 22 ARG H . 25433 1 178 . 1 1 22 22 ARG HA H 1 4.229 0.007 . . . . . A 22 ARG HA . 25433 1 179 . 1 1 22 22 ARG HB2 H 1 1.989 0.007 . . . . . A 22 ARG HB2 . 25433 1 180 . 1 1 22 22 ARG HB3 H 1 1.836 0.007 . . . . . A 22 ARG HB3 . 25433 1 181 . 1 1 22 22 ARG HG2 H 1 1.564 0.007 . . . . . A 22 ARG HG2 . 25433 1 182 . 1 1 22 22 ARG HD2 H 1 3.199 0.007 . . . . . A 22 ARG HD2 . 25433 1 183 . 1 1 22 22 ARG C C 13 176.851 0.18 . . . . . A 22 ARG C . 25433 1 184 . 1 1 22 22 ARG CA C 13 56.426 0.18 . . . . . A 22 ARG CA . 25433 1 185 . 1 1 22 22 ARG CB C 13 29.732 0.18 . . . . . A 22 ARG CB . 25433 1 186 . 1 1 22 22 ARG CG C 13 27.851 0.18 . . . . . A 22 ARG CG . 25433 1 187 . 1 1 22 22 ARG CD C 13 43.147 0.18 . . . . . A 22 ARG CD . 25433 1 188 . 1 1 22 22 ARG N N 15 112.820 0.12 . . . . . A 22 ARG N . 25433 1 189 . 1 1 23 23 ARG H H 1 8.349 0.007 . . . . . A 23 ARG H . 25433 1 190 . 1 1 23 23 ARG HA H 1 4.382 0.007 . . . . . A 23 ARG HA . 25433 1 191 . 1 1 23 23 ARG HB2 H 1 2.173 0.007 . . . . . A 23 ARG HB2 . 25433 1 192 . 1 1 23 23 ARG HG2 H 1 1.920 0.007 . . . . . A 23 ARG HG2 . 25433 1 193 . 1 1 23 23 ARG HG3 H 1 1.981 0.007 . . . . . A 23 ARG HG3 . 25433 1 194 . 1 1 23 23 ARG HD2 H 1 3.531 0.007 . . . . . A 23 ARG QD . 25433 1 195 . 1 1 23 23 ARG HD3 H 1 3.531 0.007 . . . . . A 23 ARG QD . 25433 1 196 . 1 1 23 23 ARG C C 13 177.143 0.18 . . . . . A 23 ARG C . 25433 1 197 . 1 1 23 23 ARG CA C 13 57.037 0.18 . . . . . A 23 ARG CA . 25433 1 198 . 1 1 23 23 ARG CB C 13 30.944 0.18 . . . . . A 23 ARG CB . 25433 1 199 . 1 1 23 23 ARG CG C 13 28.480 0.18 . . . . . A 23 ARG CG . 25433 1 200 . 1 1 23 23 ARG CD C 13 43.479 0.18 . . . . . A 23 ARG CD . 25433 1 201 . 1 1 23 23 ARG N N 15 119.307 0.12 . . . . . A 23 ARG N . 25433 1 202 . 1 1 24 24 GLU H H 1 8.967 0.007 . . . . . A 24 GLU H . 25433 1 203 . 1 1 24 24 GLU HA H 1 4.264 0.007 . . . . . A 24 GLU HA . 25433 1 204 . 1 1 24 24 GLU HB2 H 1 2.183 0.007 . . . . . A 24 GLU HB2 . 25433 1 205 . 1 1 24 24 GLU HB3 H 1 1.964 0.007 . . . . . A 24 GLU HB3 . 25433 1 206 . 1 1 24 24 GLU HG2 H 1 2.321 0.007 . . . . . A 24 GLU QG . 25433 1 207 . 1 1 24 24 GLU HG3 H 1 2.321 0.007 . . . . . A 24 GLU QG . 25433 1 208 . 1 1 24 24 GLU C C 13 176.371 0.18 . . . . . A 24 GLU C . 25433 1 209 . 1 1 24 24 GLU CA C 13 56.975 0.18 . . . . . A 24 GLU CA . 25433 1 210 . 1 1 24 24 GLU CB C 13 30.819 0.18 . . . . . A 24 GLU CB . 25433 1 211 . 1 1 24 24 GLU CG C 13 33.836 0.18 . . . . . A 24 GLU CG . 25433 1 212 . 1 1 24 24 GLU N N 15 120.195 0.12 . . . . . A 24 GLU N . 25433 1 213 . 1 1 25 25 LYS H H 1 7.862 0.007 . . . . . A 25 LYS H . 25433 1 214 . 1 1 25 25 LYS HA H 1 4.906 0.007 . . . . . A 25 LYS HA . 25433 1 215 . 1 1 25 25 LYS HB2 H 1 1.546 0.007 . . . . . A 25 LYS QB . 25433 1 216 . 1 1 25 25 LYS HB3 H 1 1.546 0.007 . . . . . A 25 LYS QB . 25433 1 217 . 1 1 25 25 LYS HG2 H 1 1.215 0.007 . . . . . A 25 LYS QG . 25433 1 218 . 1 1 25 25 LYS HG3 H 1 1.215 0.007 . . . . . A 25 LYS QG . 25433 1 219 . 1 1 25 25 LYS HE2 H 1 2.948 0.007 . . . . . A 25 LYS QE . 25433 1 220 . 1 1 25 25 LYS HE3 H 1 2.948 0.007 . . . . . A 25 LYS QE . 25433 1 221 . 1 1 25 25 LYS C C 13 174.820 0.18 . . . . . A 25 LYS C . 25433 1 222 . 1 1 25 25 LYS CA C 13 54.064 0.18 . . . . . A 25 LYS CA . 25433 1 223 . 1 1 25 25 LYS CB C 13 35.743 0.18 . . . . . A 25 LYS CB . 25433 1 224 . 1 1 25 25 LYS CG C 13 24.456 0.18 . . . . . A 25 LYS CG . 25433 1 225 . 1 1 25 25 LYS CE C 13 42.002 0.18 . . . . . A 25 LYS CE . 25433 1 226 . 1 1 25 25 LYS N N 15 116.632 0.12 . . . . . A 25 LYS N . 25433 1 227 . 1 1 26 26 CYS H H 1 8.678 0.007 . . . . . A 26 CYS H . 25433 1 228 . 1 1 26 26 CYS HA H 1 4.181 0.007 . . . . . A 26 CYS HA . 25433 1 229 . 1 1 26 26 CYS HB2 H 1 3.178 0.007 . . . . . A 26 CYS HB2 . 25433 1 230 . 1 1 26 26 CYS HB3 H 1 2.983 0.007 . . . . . A 26 CYS HB3 . 25433 1 231 . 1 1 26 26 CYS C C 13 178.895 0.18 . . . . . A 26 CYS C . 25433 1 232 . 1 1 26 26 CYS CA C 13 59.174 0.18 . . . . . A 26 CYS CA . 25433 1 233 . 1 1 26 26 CYS CB C 13 30.942 0.18 . . . . . A 26 CYS CB . 25433 1 234 . 1 1 26 26 CYS N N 15 124.535 0.12 . . . . . A 26 CYS N . 25433 1 235 . 1 1 27 27 PHE H H 1 9.344 0.007 . . . . . A 27 PHE H . 25433 1 236 . 1 1 27 27 PHE HA H 1 4.350 0.007 . . . . . A 27 PHE HA . 25433 1 237 . 1 1 27 27 PHE HB2 H 1 3.289 0.007 . . . . . A 27 PHE HB2 . 25433 1 238 . 1 1 27 27 PHE HB3 H 1 2.857 0.007 . . . . . A 27 PHE HB3 . 25433 1 239 . 1 1 27 27 PHE HD1 H 1 7.155 0.007 . . . . . A 27 PHE QD . 25433 1 240 . 1 1 27 27 PHE HD2 H 1 7.155 0.007 . . . . . A 27 PHE QD . 25433 1 241 . 1 1 27 27 PHE HE1 H 1 7.295 0.007 . . . . . A 27 PHE QE . 25433 1 242 . 1 1 27 27 PHE HE2 H 1 7.295 0.007 . . . . . A 27 PHE QE . 25433 1 243 . 1 1 27 27 PHE HZ H 1 7.252 0.007 . . . . . A 27 PHE HZ . 25433 1 244 . 1 1 27 27 PHE C C 13 174.408 0.18 . . . . . A 27 PHE C . 25433 1 245 . 1 1 27 27 PHE CA C 13 59.726 0.18 . . . . . A 27 PHE CA . 25433 1 246 . 1 1 27 27 PHE CB C 13 38.424 0.18 . . . . . A 27 PHE CB . 25433 1 247 . 1 1 27 27 PHE CD1 C 13 129.210 0.18 . . . . . A 27 PHE CD1 . 25433 1 248 . 1 1 27 27 PHE CD2 C 13 129.214 0.18 . . . . . A 27 PHE CD2 . 25433 1 249 . 1 1 27 27 PHE CE1 C 13 129.110 0.18 . . . . . A 27 PHE CE1 . 25433 1 250 . 1 1 27 27 PHE CE2 C 13 129.111 0.18 . . . . . A 27 PHE CE2 . 25433 1 251 . 1 1 27 27 PHE CZ C 13 127.189 0.18 . . . . . A 27 PHE CZ . 25433 1 252 . 1 1 27 27 PHE N N 15 129.286 0.12 . . . . . A 27 PHE N . 25433 1 253 . 1 1 28 28 LYS H H 1 8.765 0.007 . . . . . A 28 LYS H . 25433 1 254 . 1 1 28 28 LYS HA H 1 4.063 0.007 . . . . . A 28 LYS HA . 25433 1 255 . 1 1 28 28 LYS HB2 H 1 0.897 0.007 . . . . . A 28 LYS HB2 . 25433 1 256 . 1 1 28 28 LYS HB3 H 1 2.001 0.007 . . . . . A 28 LYS HB3 . 25433 1 257 . 1 1 28 28 LYS HG2 H 1 1.029 0.007 . . . . . A 28 LYS HG2 . 25433 1 258 . 1 1 28 28 LYS HG3 H 1 0.966 0.007 . . . . . A 28 LYS HG3 . 25433 1 259 . 1 1 28 28 LYS C C 13 177.362 0.18 . . . . . A 28 LYS C . 25433 1 260 . 1 1 28 28 LYS CA C 13 57.244 0.18 . . . . . A 28 LYS CA . 25433 1 261 . 1 1 28 28 LYS CB C 13 33.310 0.18 . . . . . A 28 LYS CB . 25433 1 262 . 1 1 28 28 LYS CG C 13 25.028 0.18 . . . . . A 28 LYS CG . 25433 1 263 . 1 1 28 28 LYS N N 15 124.525 0.12 . . . . . A 28 LYS N . 25433 1 264 . 1 1 29 29 CYS H H 1 8.357 0.007 . . . . . A 29 CYS H . 25433 1 265 . 1 1 29 29 CYS HA H 1 4.797 0.007 . . . . . A 29 CYS HA . 25433 1 266 . 1 1 29 29 CYS HB2 H 1 2.543 0.007 . . . . . A 29 CYS HB2 . 25433 1 267 . 1 1 29 29 CYS HB3 H 1 3.114 0.007 . . . . . A 29 CYS HB3 . 25433 1 268 . 1 1 29 29 CYS C C 13 177.501 0.18 . . . . . A 29 CYS C . 25433 1 269 . 1 1 29 29 CYS CA C 13 58.921 0.18 . . . . . A 29 CYS CA . 25433 1 270 . 1 1 29 29 CYS CB C 13 32.088 0.18 . . . . . A 29 CYS CB . 25433 1 271 . 1 1 29 29 CYS N N 15 117.596 0.12 . . . . . A 29 CYS N . 25433 1 272 . 1 1 30 30 GLY H H 1 7.519 0.007 . . . . . A 30 GLY H . 25433 1 273 . 1 1 30 30 GLY HA2 H 1 4.088 0.007 . . . . . A 30 GLY HA2 . 25433 1 274 . 1 1 30 30 GLY HA3 H 1 3.817 0.007 . . . . . A 30 GLY HA3 . 25433 1 275 . 1 1 30 30 GLY CA C 13 46.135 0.18 . . . . . A 30 GLY CA . 25433 1 276 . 1 1 30 30 GLY N N 15 110.623 0.12 . . . . . A 30 GLY N . 25433 1 277 . 1 1 31 31 VAL H H 1 8.120 0.007 . . . . . A 31 VAL H . 25433 1 278 . 1 1 31 31 VAL HA H 1 4.348 0.007 . . . . . A 31 VAL HA . 25433 1 279 . 1 1 31 31 VAL HB H 1 2.152 0.007 . . . . . A 31 VAL HB . 25433 1 280 . 1 1 31 31 VAL HG11 H 1 1.060 0.007 . . . . . A 31 VAL QG1 . 25433 1 281 . 1 1 31 31 VAL HG12 H 1 1.060 0.007 . . . . . A 31 VAL QG1 . 25433 1 282 . 1 1 31 31 VAL HG13 H 1 1.060 0.007 . . . . . A 31 VAL QG1 . 25433 1 283 . 1 1 31 31 VAL HG21 H 1 1.107 0.007 . . . . . A 31 VAL QG2 . 25433 1 284 . 1 1 31 31 VAL HG22 H 1 1.107 0.007 . . . . . A 31 VAL QG2 . 25433 1 285 . 1 1 31 31 VAL HG23 H 1 1.107 0.007 . . . . . A 31 VAL QG2 . 25433 1 286 . 1 1 31 31 VAL CA C 13 61.591 0.18 . . . . . A 31 VAL CA . 25433 1 287 . 1 1 31 31 VAL CB C 13 32.238 0.18 . . . . . A 31 VAL CB . 25433 1 288 . 1 1 31 31 VAL CG1 C 13 23.635 0.18 . . . . . A 31 VAL CG1 . 25433 1 289 . 1 1 31 31 VAL CG2 C 13 21.464 0.18 . . . . . A 31 VAL CG2 . 25433 1 290 . 1 1 31 31 VAL N N 15 122.592 0.12 . . . . . A 31 VAL N . 25433 1 291 . 1 1 32 32 PRO HA H 1 4.650 0.007 . . . . . A 32 PRO HA . 25433 1 292 . 1 1 32 32 PRO HB2 H 1 2.383 0.007 . . . . . A 32 PRO HB2 . 25433 1 293 . 1 1 32 32 PRO HB3 H 1 1.861 0.007 . . . . . A 32 PRO HB3 . 25433 1 294 . 1 1 32 32 PRO HG2 H 1 2.093 0.007 . . . . . A 32 PRO HG2 . 25433 1 295 . 1 1 32 32 PRO HG3 H 1 1.893 0.007 . . . . . A 32 PRO HG3 . 25433 1 296 . 1 1 32 32 PRO HD2 H 1 3.676 0.007 . . . . . A 32 PRO HD2 . 25433 1 297 . 1 1 32 32 PRO HD3 H 1 4.037 0.007 . . . . . A 32 PRO HD3 . 25433 1 298 . 1 1 32 32 PRO C C 13 176.413 0.18 . . . . . A 32 PRO C . 25433 1 299 . 1 1 32 32 PRO CA C 13 62.772 0.18 . . . . . A 32 PRO CA . 25433 1 300 . 1 1 32 32 PRO CB C 13 32.650 0.18 . . . . . A 32 PRO CB . 25433 1 301 . 1 1 32 32 PRO CG C 13 27.996 0.18 . . . . . A 32 PRO CG . 25433 1 302 . 1 1 32 32 PRO CD C 13 51.630 0.18 . . . . . A 32 PRO CD . 25433 1 303 . 1 1 33 33 LYS H H 1 7.956 0.007 . . . . . A 33 LYS H . 25433 1 304 . 1 1 33 33 LYS HA H 1 3.109 0.007 . . . . . A 33 LYS HA . 25433 1 305 . 1 1 33 33 LYS HB2 H 1 0.595 0.007 . . . . . A 33 LYS HB2 . 25433 1 306 . 1 1 33 33 LYS HB3 H 1 0.921 0.007 . . . . . A 33 LYS HB3 . 25433 1 307 . 1 1 33 33 LYS HG2 H 1 0.492 0.007 . . . . . A 33 LYS HG2 . 25433 1 308 . 1 1 33 33 LYS HG3 H 1 -0.512 0.007 . . . . . A 33 LYS HG3 . 25433 1 309 . 1 1 33 33 LYS HE2 H 1 2.173 0.007 . . . . . A 33 LYS HE2 . 25433 1 310 . 1 1 33 33 LYS HE3 H 1 2.267 0.007 . . . . . A 33 LYS HE3 . 25433 1 311 . 1 1 33 33 LYS C C 13 176.726 0.18 . . . . . A 33 LYS C . 25433 1 312 . 1 1 33 33 LYS CA C 13 58.359 0.18 . . . . . A 33 LYS CA . 25433 1 313 . 1 1 33 33 LYS CB C 13 32.700 0.18 . . . . . A 33 LYS CB . 25433 1 314 . 1 1 33 33 LYS CG C 13 23.627 0.18 . . . . . A 33 LYS CG . 25433 1 315 . 1 1 33 33 LYS CE C 13 41.765 0.18 . . . . . A 33 LYS CE . 25433 1 316 . 1 1 33 33 LYS N N 15 122.957 0.12 . . . . . A 33 LYS N . 25433 1 317 . 1 1 34 34 SER H H 1 8.139 0.007 . . . . . A 34 SER H . 25433 1 318 . 1 1 34 34 SER HA H 1 4.138 0.007 . . . . . A 34 SER HA . 25433 1 319 . 1 1 34 34 SER HB2 H 1 3.790 0.007 . . . . . A 34 SER HB2 . 25433 1 320 . 1 1 34 34 SER HB3 H 1 3.736 0.007 . . . . . A 34 SER HB3 . 25433 1 321 . 1 1 34 34 SER C C 13 175.141 0.18 . . . . . A 34 SER C . 25433 1 322 . 1 1 34 34 SER CA C 13 59.160 0.18 . . . . . A 34 SER CA . 25433 1 323 . 1 1 34 34 SER CB C 13 62.820 0.18 . . . . . A 34 SER CB . 25433 1 324 . 1 1 34 34 SER N N 15 112.323 0.12 . . . . . A 34 SER N . 25433 1 325 . 1 1 35 35 GLU H H 1 7.750 0.007 . . . . . A 35 GLU H . 25433 1 326 . 1 1 35 35 GLU HA H 1 4.251 0.007 . . . . . A 35 GLU HA . 25433 1 327 . 1 1 35 35 GLU HB2 H 1 2.004 0.007 . . . . . A 35 GLU HB2 . 25433 1 328 . 1 1 35 35 GLU HB3 H 1 1.857 0.007 . . . . . A 35 GLU HB3 . 25433 1 329 . 1 1 35 35 GLU HG2 H 1 2.141 0.007 . . . . . A 35 GLU HG2 . 25433 1 330 . 1 1 35 35 GLU HG3 H 1 2.235 0.007 . . . . . A 35 GLU HG3 . 25433 1 331 . 1 1 35 35 GLU C C 13 176.796 0.18 . . . . . A 35 GLU C . 25433 1 332 . 1 1 35 35 GLU CA C 13 56.589 0.18 . . . . . A 35 GLU CA . 25433 1 333 . 1 1 35 35 GLU CB C 13 30.584 0.18 . . . . . A 35 GLU CB . 25433 1 334 . 1 1 35 35 GLU CG C 13 36.401 0.18 . . . . . A 35 GLU CG . 25433 1 335 . 1 1 35 35 GLU N N 15 120.171 0.12 . . . . . A 35 GLU N . 25433 1 336 . 1 1 36 36 ALA H H 1 8.216 0.007 . . . . . A 36 ALA H . 25433 1 337 . 1 1 36 36 ALA HA H 1 4.272 0.007 . . . . . A 36 ALA HA . 25433 1 338 . 1 1 36 36 ALA HB1 H 1 1.543 0.007 . . . . . A 36 ALA QB . 25433 1 339 . 1 1 36 36 ALA HB2 H 1 1.543 0.007 . . . . . A 36 ALA QB . 25433 1 340 . 1 1 36 36 ALA HB3 H 1 1.543 0.007 . . . . . A 36 ALA QB . 25433 1 341 . 1 1 36 36 ALA C C 13 177.942 0.18 . . . . . A 36 ALA C . 25433 1 342 . 1 1 36 36 ALA CA C 13 52.881 0.18 . . . . . A 36 ALA CA . 25433 1 343 . 1 1 36 36 ALA CB C 13 20.587 0.18 . . . . . A 36 ALA CB . 25433 1 344 . 1 1 36 36 ALA N N 15 122.364 0.12 . . . . . A 36 ALA N . 25433 1 345 . 1 1 37 37 GLU H H 1 8.161 0.007 . . . . . A 37 GLU H . 25433 1 346 . 1 1 37 37 GLU HA H 1 4.353 0.007 . . . . . A 37 GLU HA . 25433 1 347 . 1 1 37 37 GLU HB2 H 1 1.872 0.007 . . . . . A 37 GLU QB . 25433 1 348 . 1 1 37 37 GLU HB3 H 1 1.872 0.007 . . . . . A 37 GLU QB . 25433 1 349 . 1 1 37 37 GLU HG2 H 1 2.183 0.007 . . . . . A 37 GLU QG . 25433 1 350 . 1 1 37 37 GLU HG3 H 1 2.183 0.007 . . . . . A 37 GLU QG . 25433 1 351 . 1 1 37 37 GLU C C 13 176.592 0.18 . . . . . A 37 GLU C . 25433 1 352 . 1 1 37 37 GLU CA C 13 56.475 0.18 . . . . . A 37 GLU CA . 25433 1 353 . 1 1 37 37 GLU CB C 13 30.170 0.18 . . . . . A 37 GLU CB . 25433 1 354 . 1 1 37 37 GLU CG C 13 35.996 0.18 . . . . . A 37 GLU CG . 25433 1 355 . 1 1 37 37 GLU N N 15 117.040 0.12 . . . . . A 37 GLU N . 25433 1 356 . 1 1 38 38 GLN H H 1 8.262 0.007 . . . . . A 38 GLN H . 25433 1 357 . 1 1 38 38 GLN HA H 1 4.254 0.007 . . . . . A 38 GLN HA . 25433 1 358 . 1 1 38 38 GLN HB2 H 1 1.928 0.007 . . . . . A 38 GLN HB2 . 25433 1 359 . 1 1 38 38 GLN HB3 H 1 2.048 0.007 . . . . . A 38 GLN HB3 . 25433 1 360 . 1 1 38 38 GLN HG2 H 1 2.078 0.007 . . . . . A 38 GLN HG2 . 25433 1 361 . 1 1 38 38 GLN HG3 H 1 2.057 0.007 . . . . . A 38 GLN HG3 . 25433 1 362 . 1 1 38 38 GLN HE21 H 1 7.278 0.007 . . . . . A 38 GLN HE21 . 25433 1 363 . 1 1 38 38 GLN C C 13 175.615 0.18 . . . . . A 38 GLN C . 25433 1 364 . 1 1 38 38 GLN CA C 13 55.689 0.18 . . . . . A 38 GLN CA . 25433 1 365 . 1 1 38 38 GLN CB C 13 29.560 0.18 . . . . . A 38 GLN CB . 25433 1 366 . 1 1 38 38 GLN CG C 13 33.345 0.18 . . . . . A 38 GLN CG . 25433 1 367 . 1 1 38 38 GLN N N 15 120.895 0.12 . . . . . A 38 GLN N . 25433 1 368 . 1 1 39 39 LYS H H 1 8.416 0.007 . . . . . A 39 LYS H . 25433 1 369 . 1 1 39 39 LYS HA H 1 4.296 0.007 . . . . . A 39 LYS HA . 25433 1 370 . 1 1 39 39 LYS HB2 H 1 1.686 0.007 . . . . . A 39 LYS HB2 . 25433 1 371 . 1 1 39 39 LYS HB3 H 1 1.767 0.007 . . . . . A 39 LYS HB3 . 25433 1 372 . 1 1 39 39 LYS HG3 H 1 1.360 0.007 . . . . . A 39 LYS HG3 . 25433 1 373 . 1 1 39 39 LYS C C 13 176.240 0.18 . . . . . A 39 LYS C . 25433 1 374 . 1 1 39 39 LYS CA C 13 55.795 0.18 . . . . . A 39 LYS CA . 25433 1 375 . 1 1 39 39 LYS CB C 13 32.981 0.18 . . . . . A 39 LYS CB . 25433 1 376 . 1 1 39 39 LYS CG C 13 24.648 0.18 . . . . . A 39 LYS CG . 25433 1 377 . 1 1 39 39 LYS N N 15 122.996 0.12 . . . . . A 39 LYS N . 25433 1 378 . 1 1 40 40 LEU H H 1 8.292 0.007 . . . . . A 40 LEU H . 25433 1 379 . 1 1 40 40 LEU HA H 1 4.575 0.007 . . . . . A 40 LEU HA . 25433 1 380 . 1 1 40 40 LEU HB2 H 1 1.568 0.007 . . . . . A 40 LEU HB2 . 25433 1 381 . 1 1 40 40 LEU HB3 H 1 1.510 0.007 . . . . . A 40 LEU HB3 . 25433 1 382 . 1 1 40 40 LEU HG H 1 1.633 0.007 . . . . . A 40 LEU HG . 25433 1 383 . 1 1 40 40 LEU HD11 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 384 . 1 1 40 40 LEU HD12 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 385 . 1 1 40 40 LEU HD13 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 386 . 1 1 40 40 LEU HD21 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 387 . 1 1 40 40 LEU HD22 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 388 . 1 1 40 40 LEU HD23 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 389 . 1 1 40 40 LEU CA C 13 52.786 0.18 . . . . . A 40 LEU CA . 25433 1 390 . 1 1 40 40 LEU CB C 13 41.468 0.18 . . . . . A 40 LEU CB . 25433 1 391 . 1 1 40 40 LEU CG C 13 27.035 0.18 . . . . . A 40 LEU CG . 25433 1 392 . 1 1 40 40 LEU CD1 C 13 23.271 0.18 . . . . . A 40 LEU CD1 . 25433 1 393 . 1 1 40 40 LEU N N 15 123.709 0.12 . . . . . A 40 LEU N . 25433 1 394 . 1 1 41 41 PRO HA H 1 4.348 0.007 . . . . . A 41 PRO HA . 25433 1 395 . 1 1 41 41 PRO HB2 H 1 2.150 0.007 . . . . . A 41 PRO QB . 25433 1 396 . 1 1 41 41 PRO HB3 H 1 2.150 0.007 . . . . . A 41 PRO QB . 25433 1 397 . 1 1 41 41 PRO HG2 H 1 1.955 0.007 . . . . . A 41 PRO HG2 . 25433 1 398 . 1 1 41 41 PRO HD2 H 1 3.609 0.007 . . . . . A 41 PRO HD2 . 25433 1 399 . 1 1 41 41 PRO HD3 H 1 3.746 0.007 . . . . . A 41 PRO HD3 . 25433 1 400 . 1 1 41 41 PRO CA C 13 61.562 0.18 . . . . . A 41 PRO CA . 25433 1 401 . 1 1 41 41 PRO CB C 13 32.340 0.18 . . . . . A 41 PRO CB . 25433 1 402 . 1 1 41 41 PRO CG C 13 27.338 0.18 . . . . . A 41 PRO CG . 25433 1 403 . 1 1 41 41 PRO CD C 13 50.513 0.18 . . . . . A 41 PRO CD . 25433 1 404 . 1 1 43 43 GLY H H 1 7.855 0.007 . . . . . A 43 GLY H . 25433 1 405 . 1 1 43 43 GLY HA3 H 1 3.697 0.007 . . . . . A 43 GLY HA3 . 25433 1 406 . 1 1 43 43 GLY CA C 13 45.954 0.18 . . . . . A 43 GLY CA . 25433 1 407 . 1 1 43 43 GLY N N 15 114.350 0.12 . . . . . A 43 GLY N . 25433 1 stop_ save_