################################### # 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 25974 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 25974 1 2 '2D 1H-13C HSQC' . . . 25974 1 3 '2D 1H-1H NOESY' . . . 25974 1 4 '3D 1H-15N NOESY' . . . 25974 1 5 '3D 1H-15N TOCSY' . . . 25974 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CCPN_Analysis . . 25974 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 LYS H H 1 8.167 0.003 . 1 . . . . A 2 LYS H . 25974 1 2 . 1 . 1 2 2 LYS HA H 1 5.230 0.002 . 1 . . . . A 2 LYS HA . 25974 1 3 . 1 . 1 2 2 LYS HB2 H 1 1.586 0.02 . 2 . . . . A 2 LYS HB2 . 25974 1 4 . 1 . 1 2 2 LYS HD2 H 1 0.406 0.002 . 1 . . . . A 2 LYS HD2 . 25974 1 5 . 1 . 1 2 2 LYS HE2 H 1 2.895 0.02 . 1 . . . . A 2 LYS HE2 . 25974 1 6 . 1 . 1 2 2 LYS N N 15 119.918 0.012 . 1 . . . . A 2 LYS N . 25974 1 7 . 1 . 1 3 3 TYR H H 1 8.939 0.021 . 1 . . . . A 3 TYR H . 25974 1 8 . 1 . 1 3 3 TYR HA H 1 4.809 0.002 . 1 . . . . A 3 TYR HA . 25974 1 9 . 1 . 1 3 3 TYR HB2 H 1 2.790 0.02 . 2 . . . . A 3 TYR HB2 . 25974 1 10 . 1 . 1 3 3 TYR HB3 H 1 1.802 0.02 . 2 . . . . A 3 TYR HB3 . 25974 1 11 . 1 . 1 3 3 TYR HD1 H 1 6.869 0.02 . 1 . . . . A 3 TYR HD1 . 25974 1 12 . 1 . 1 3 3 TYR HD2 H 1 6.869 0.02 . 1 . . . . A 3 TYR HD2 . 25974 1 13 . 1 . 1 3 3 TYR HE1 H 1 6.739 0.02 . 1 . . . . A 3 TYR HE1 . 25974 1 14 . 1 . 1 3 3 TYR HE2 H 1 6.739 0.02 . 1 . . . . A 3 TYR HE2 . 25974 1 15 . 1 . 1 3 3 TYR N N 15 122.493 0.125 . 1 . . . . A 3 TYR N . 25974 1 16 . 1 . 1 4 4 THR H H 1 8.885 0.019 . 1 . . . . A 4 THR H . 25974 1 17 . 1 . 1 4 4 THR HA H 1 5.042 0.02 . 1 . . . . A 4 THR HA . 25974 1 18 . 1 . 1 4 4 THR HB H 1 4.032 0.02 . 1 . . . . A 4 THR HB . 25974 1 19 . 1 . 1 4 4 THR HG21 H 1 1.284 0.02 . 1 . . . . A 4 THR HG21 . 25974 1 20 . 1 . 1 4 4 THR HG22 H 1 1.284 0.02 . 1 . . . . A 4 THR HG22 . 25974 1 21 . 1 . 1 4 4 THR HG23 H 1 1.284 0.02 . 1 . . . . A 4 THR HG23 . 25974 1 22 . 1 . 1 4 4 THR N N 15 117.297 0.153 . 1 . . . . A 4 THR N . 25974 1 23 . 1 . 1 5 5 GLY H H 1 9.135 0.016 . 1 . . . . A 5 GLY H . 25974 1 24 . 1 . 1 5 5 GLY HA2 H 1 4.633 0.02 . 2 . . . . A 5 GLY HA2 . 25974 1 25 . 1 . 1 5 5 GLY HA3 H 1 3.972 0.02 . 2 . . . . A 5 GLY HA3 . 25974 1 26 . 1 . 1 5 5 GLY N N 15 115.452 0.128 . 1 . . . . A 5 GLY N . 25974 1 27 . 1 . 1 6 6 LYS H H 1 8.422 0.019 . 1 . . . . A 6 LYS H . 25974 1 28 . 1 . 1 6 6 LYS HA H 1 5.378 0.002 . 1 . . . . A 6 LYS HA . 25974 1 29 . 1 . 1 6 6 LYS HB2 H 1 1.643 0.02 . 2 . . . . A 6 LYS HB2 . 25974 1 30 . 1 . 1 6 6 LYS HB3 H 1 1.576 0.02 . 2 . . . . A 6 LYS HB3 . 25974 1 31 . 1 . 1 6 6 LYS HG2 H 1 1.355 0.02 . 2 . . . . A 6 LYS HG2 . 25974 1 32 . 1 . 1 6 6 LYS HG3 H 1 1.296 0.02 . 2 . . . . A 6 LYS HG3 . 25974 1 33 . 1 . 1 6 6 LYS N N 15 121.001 0.178 . 1 . . . . A 6 LYS N . 25974 1 34 . 1 . 1 7 7 CYS H H 1 9.767 0.016 . 1 . . . . A 7 CYS H . 25974 1 35 . 1 . 1 7 7 CYS HA H 1 6.297 0.02 . 1 . . . . A 7 CYS HA . 25974 1 36 . 1 . 1 7 7 CYS HB2 H 1 2.849 0.02 . 2 . . . . A 7 CYS HB2 . 25974 1 37 . 1 . 1 7 7 CYS HB3 H 1 3.375 0.02 . 2 . . . . A 7 CYS HB3 . 25974 1 38 . 1 . 1 7 7 CYS N N 15 122.647 0.103 . 1 . . . . A 7 CYS N . 25974 1 39 . 1 . 1 8 8 THR H H 1 8.716 0.015 . 1 . . . . A 8 THR H . 25974 1 40 . 1 . 1 8 8 THR HA H 1 4.704 0.02 . 1 . . . . A 8 THR HA . 25974 1 41 . 1 . 1 8 8 THR HB H 1 4.085 0.02 . 1 . . . . A 8 THR HB . 25974 1 42 . 1 . 1 8 8 THR HG21 H 1 1.268 0.02 . 1 . . . . A 8 THR HG21 . 25974 1 43 . 1 . 1 8 8 THR HG22 H 1 1.268 0.02 . 1 . . . . A 8 THR HG22 . 25974 1 44 . 1 . 1 8 8 THR HG23 H 1 1.268 0.02 . 1 . . . . A 8 THR HG23 . 25974 1 45 . 1 . 1 8 8 THR N N 15 113.493 0.080 . 1 . . . . A 8 THR N . 25974 1 46 . 1 . 1 9 9 LYS H H 1 8.947 0.012 . 1 . . . . A 9 LYS H . 25974 1 47 . 1 . 1 9 9 LYS HA H 1 3.493 0.002 . 1 . . . . A 9 LYS HA . 25974 1 48 . 1 . 1 9 9 LYS HB2 H 1 1.743 0.02 . 1 . . . . A 9 LYS HB2 . 25974 1 49 . 1 . 1 9 9 LYS HG2 H 1 1.262 0.02 . 2 . . . . A 9 LYS HG2 . 25974 1 50 . 1 . 1 9 9 LYS HG3 H 1 1.108 0.02 . 2 . . . . A 9 LYS HG3 . 25974 1 51 . 1 . 1 9 9 LYS N N 15 127.640 0.087 . 1 . . . . A 9 LYS N . 25974 1 52 . 1 . 1 10 10 SER H H 1 9.484 0.001 . 1 . . . . A 10 SER H . 25974 1 53 . 1 . 1 10 10 SER HA H 1 4.006 0.005 . 1 . . . . A 10 SER HA . 25974 1 54 . 1 . 1 10 10 SER HB2 H 1 3.885 0.02 . 2 . . . . A 10 SER HB2 . 25974 1 55 . 1 . 1 10 10 SER HB3 H 1 3.839 0.02 . 2 . . . . A 10 SER HB3 . 25974 1 56 . 1 . 1 10 10 SER N N 15 116.726 0.016 . 1 . . . . A 10 SER N . 25974 1 57 . 1 . 1 11 11 LYS H H 1 7.051 0.003 . 1 . . . . A 11 LYS H . 25974 1 58 . 1 . 1 11 11 LYS HA H 1 4.153 0.02 . 1 . . . . A 11 LYS HA . 25974 1 59 . 1 . 1 11 11 LYS HB2 H 1 1.354 0.02 . 2 . . . . A 11 LYS HB2 . 25974 1 60 . 1 . 1 11 11 LYS HB3 H 1 1.685 0.02 . 2 . . . . A 11 LYS HB3 . 25974 1 61 . 1 . 1 11 11 LYS N N 15 116.973 0.035 . 1 . . . . A 11 LYS N . 25974 1 62 . 1 . 1 12 12 ASN H H 1 7.590 0.010 . 1 . . . . A 12 ASN H . 25974 1 63 . 1 . 1 12 12 ASN HA H 1 4.566 0.02 . 1 . . . . A 12 ASN HA . 25974 1 64 . 1 . 1 12 12 ASN HB2 H 1 3.190 0.02 . 2 . . . . A 12 ASN HB2 . 25974 1 65 . 1 . 1 12 12 ASN HB3 H 1 2.263 0.02 . 2 . . . . A 12 ASN HB3 . 25974 1 66 . 1 . 1 12 12 ASN HD21 H 1 5.906 0.02 . 1 . . . . A 12 ASN HD21 . 25974 1 67 . 1 . 1 12 12 ASN HD22 H 1 6.960 0.02 . 1 . . . . A 12 ASN HD22 . 25974 1 68 . 1 . 1 12 12 ASN N N 15 120.652 0.083 . 1 . . . . A 12 ASN N . 25974 1 69 . 1 . 1 13 13 GLU H H 1 7.290 0.013 . 1 . . . . A 13 GLU H . 25974 1 70 . 1 . 1 13 13 GLU HA H 1 4.896 0.02 . 1 . . . . A 13 GLU HA . 25974 1 71 . 1 . 1 13 13 GLU HB2 H 1 1.708 0.02 . 2 . . . . A 13 GLU HB2 . 25974 1 72 . 1 . 1 13 13 GLU HB3 H 1 1.797 0.02 . 2 . . . . A 13 GLU HB3 . 25974 1 73 . 1 . 1 13 13 GLU HG2 H 1 2.046 0.002 . 2 . . . . A 13 GLU HG2 . 25974 1 74 . 1 . 1 13 13 GLU HG3 H 1 1.951 0.02 . 2 . . . . A 13 GLU HG3 . 25974 1 75 . 1 . 1 13 13 GLU N N 15 115.322 0.145 . 1 . . . . A 13 GLU N . 25974 1 76 . 1 . 1 14 14 CYS H H 1 9.588 0.014 . 1 . . . . A 14 CYS H . 25974 1 77 . 1 . 1 14 14 CYS HA H 1 4.639 0.02 . 1 . . . . A 14 CYS HA . 25974 1 78 . 1 . 1 14 14 CYS HB2 H 1 2.654 0.02 . 2 . . . . A 14 CYS HB2 . 25974 1 79 . 1 . 1 14 14 CYS HB3 H 1 2.894 0.02 . 2 . . . . A 14 CYS HB3 . 25974 1 80 . 1 . 1 14 14 CYS N N 15 123.345 0.131 . 1 . . . . A 14 CYS N . 25974 1 81 . 1 . 1 15 15 LYS H H 1 8.636 0.003 . 1 . . . . A 15 LYS H . 25974 1 82 . 1 . 1 15 15 LYS HA H 1 4.946 0.02 . 1 . . . . A 15 LYS HA . 25974 1 83 . 1 . 1 15 15 LYS HB2 H 1 1.723 0.02 . 2 . . . . A 15 LYS HB2 . 25974 1 84 . 1 . 1 15 15 LYS HB3 H 1 1.440 0.002 . 2 . . . . A 15 LYS HB3 . 25974 1 85 . 1 . 1 15 15 LYS HG2 H 1 0.178 0.02 . 1 . . . . A 15 LYS HG2 . 25974 1 86 . 1 . 1 15 15 LYS HD2 H 1 0.555 0.02 . 1 . . . . A 15 LYS HD2 . 25974 1 87 . 1 . 1 15 15 LYS HE2 H 1 2.678 0.02 . 2 . . . . A 15 LYS HE2 . 25974 1 88 . 1 . 1 15 15 LYS HE3 H 1 2.574 0.02 . 2 . . . . A 15 LYS HE3 . 25974 1 89 . 1 . 1 15 15 LYS N N 15 110.722 0.026 . 1 . . . . A 15 LYS N . 25974 1 90 . 1 . 1 16 16 TYR H H 1 8.998 0.016 . 1 . . . . A 16 TYR H . 25974 1 91 . 1 . 1 16 16 TYR HA H 1 4.899 0.02 . 1 . . . . A 16 TYR HA . 25974 1 92 . 1 . 1 16 16 TYR HB2 H 1 2.300 0.02 . 2 . . . . A 16 TYR HB2 . 25974 1 93 . 1 . 1 16 16 TYR HB3 H 1 2.649 0.02 . 2 . . . . A 16 TYR HB3 . 25974 1 94 . 1 . 1 16 16 TYR HD1 H 1 6.270 0.02 . 1 . . . . A 16 TYR HD1 . 25974 1 95 . 1 . 1 16 16 TYR HD2 H 1 6.270 0.02 . 1 . . . . A 16 TYR HD2 . 25974 1 96 . 1 . 1 16 16 TYR HE1 H 1 5.760 0.02 . 1 . . . . A 16 TYR HE1 . 25974 1 97 . 1 . 1 16 16 TYR HE2 H 1 5.760 0.02 . 1 . . . . A 16 TYR HE2 . 25974 1 98 . 1 . 1 16 16 TYR N N 15 126.630 0.102 . 1 . . . . A 16 TYR N . 25974 1 99 . 1 . 1 17 17 LYS H H 1 8.421 0.018 . 1 . . . . A 17 LYS H . 25974 1 100 . 1 . 1 17 17 LYS HA H 1 4.406 0.002 . 1 . . . . A 17 LYS HA . 25974 1 101 . 1 . 1 17 17 LYS HB2 H 1 1.658 0.02 . 2 . . . . A 17 LYS HB2 . 25974 1 102 . 1 . 1 17 17 LYS HB3 H 1 1.442 0.02 . 2 . . . . A 17 LYS HB3 . 25974 1 103 . 1 . 1 17 17 LYS HG2 H 1 1.227 0.02 . 1 . . . . A 17 LYS HG2 . 25974 1 104 . 1 . 1 17 17 LYS N N 15 120.977 0.178 . 1 . . . . A 17 LYS N . 25974 1 105 . 1 . 1 18 18 ASN H H 1 7.735 0.013 . 1 . . . . A 18 ASN H . 25974 1 106 . 1 . 1 18 18 ASN HA H 1 4.102 0.02 . 1 . . . . A 18 ASN HA . 25974 1 107 . 1 . 1 18 18 ASN HB2 H 1 3.350 0.02 . 2 . . . . A 18 ASN HB2 . 25974 1 108 . 1 . 1 18 18 ASN HB3 H 1 2.583 0.02 . 2 . . . . A 18 ASN HB3 . 25974 1 109 . 1 . 1 18 18 ASN HD21 H 1 6.740 0.02 . 1 . . . . A 18 ASN HD21 . 25974 1 110 . 1 . 1 18 18 ASN HD22 H 1 7.353 0.02 . 1 . . . . A 18 ASN HD22 . 25974 1 111 . 1 . 1 18 18 ASN N N 15 122.224 0.136 . 1 . . . . A 18 ASN N . 25974 1 112 . 1 . 1 19 19 ASP H H 1 8.238 0.002 . 1 . . . . A 19 ASP H . 25974 1 113 . 1 . 1 19 19 ASP HA H 1 4.384 0.02 . 1 . . . . A 19 ASP HA . 25974 1 114 . 1 . 1 19 19 ASP HB2 H 1 2.681 0.02 . 2 . . . . A 19 ASP HB2 . 25974 1 115 . 1 . 1 19 19 ASP HB3 H 1 2.829 0.02 . 2 . . . . A 19 ASP HB3 . 25974 1 116 . 1 . 1 19 19 ASP N N 15 117.436 0.018 . 1 . . . . A 19 ASP N . 25974 1 117 . 1 . 1 20 20 ALA H H 1 7.419 0.015 . 1 . . . . A 20 ALA H . 25974 1 118 . 1 . 1 20 20 ALA HA H 1 4.409 0.02 . 1 . . . . A 20 ALA HA . 25974 1 119 . 1 . 1 20 20 ALA HB1 H 1 1.341 0.02 . 1 . . . . A 20 ALA HB1 . 25974 1 120 . 1 . 1 20 20 ALA HB2 H 1 1.341 0.02 . 1 . . . . A 20 ALA HB2 . 25974 1 121 . 1 . 1 20 20 ALA HB3 H 1 1.341 0.02 . 1 . . . . A 20 ALA HB3 . 25974 1 122 . 1 . 1 20 20 ALA N N 15 120.895 0.130 . 1 . . . . A 20 ALA N . 25974 1 123 . 1 . 1 21 21 GLY H H 1 8.170 0.001 . 1 . . . . A 21 GLY H . 25974 1 124 . 1 . 1 21 21 GLY HA2 H 1 4.079 0.02 . 2 . . . . A 21 GLY HA2 . 25974 1 125 . 1 . 1 21 21 GLY HA3 H 1 3.512 0.02 . 2 . . . . A 21 GLY HA3 . 25974 1 126 . 1 . 1 21 21 GLY N N 15 127.668 0.011 . 1 . . . . A 21 GLY N . 25974 1 127 . 1 . 1 22 22 LYS H H 1 7.682 0.023 . 1 . . . . A 22 LYS H . 25974 1 128 . 1 . 1 22 22 LYS HA H 1 4.309 0.02 . 1 . . . . A 22 LYS HA . 25974 1 129 . 1 . 1 22 22 LYS HB2 H 1 1.468 0.02 . 2 . . . . A 22 LYS HB2 . 25974 1 130 . 1 . 1 22 22 LYS HB3 H 1 1.581 0.02 . 2 . . . . A 22 LYS HB3 . 25974 1 131 . 1 . 1 22 22 LYS HG2 H 1 1.278 0.02 . 2 . . . . A 22 LYS HG2 . 25974 1 132 . 1 . 1 22 22 LYS HG3 H 1 1.182 0.02 . 2 . . . . A 22 LYS HG3 . 25974 1 133 . 1 . 1 22 22 LYS HE2 H 1 2.890 0.02 . 1 . . . . A 22 LYS HE2 . 25974 1 134 . 1 . 1 22 22 LYS N N 15 120.354 0.191 . 1 . . . . A 22 LYS N . 25974 1 135 . 1 . 1 23 23 ASP H H 1 8.610 0.020 . 1 . . . . A 23 ASP H . 25974 1 136 . 1 . 1 23 23 ASP HA H 1 4.256 0.02 . 1 . . . . A 23 ASP HA . 25974 1 137 . 1 . 1 23 23 ASP HB2 H 1 2.391 0.02 . 2 . . . . A 23 ASP HB2 . 25974 1 138 . 1 . 1 23 23 ASP HB3 H 1 1.851 0.02 . 2 . . . . A 23 ASP HB3 . 25974 1 139 . 1 . 1 23 23 ASP N N 15 126.398 0.246 . 1 . . . . A 23 ASP N . 25974 1 140 . 1 . 1 24 24 THR H H 1 8.782 0.020 . 1 . . . . A 24 THR H . 25974 1 141 . 1 . 1 24 24 THR HA H 1 4.012 0.02 . 1 . . . . A 24 THR HA . 25974 1 142 . 1 . 1 24 24 THR HB H 1 2.287 0.02 . 1 . . . . A 24 THR HB . 25974 1 143 . 1 . 1 24 24 THR HG21 H 1 0.799 0.02 . 1 . . . . A 24 THR HG21 . 25974 1 144 . 1 . 1 24 24 THR HG22 H 1 0.799 0.02 . 1 . . . . A 24 THR HG22 . 25974 1 145 . 1 . 1 24 24 THR HG23 H 1 0.799 0.02 . 1 . . . . A 24 THR HG23 . 25974 1 146 . 1 . 1 24 24 THR N N 15 122.770 0.155 . 1 . . . . A 24 THR N . 25974 1 147 . 1 . 1 25 25 PHE H H 1 8.328 0.021 . 1 . . . . A 25 PHE H . 25974 1 148 . 1 . 1 25 25 PHE HA H 1 5.404 0.02 . 1 . . . . A 25 PHE HA . 25974 1 149 . 1 . 1 25 25 PHE HB2 H 1 2.684 0.02 . 1 . . . . A 25 PHE HB2 . 25974 1 150 . 1 . 1 25 25 PHE HD1 H 1 7.005 0.02 . 1 . . . . A 25 PHE HD1 . 25974 1 151 . 1 . 1 25 25 PHE HD2 H 1 7.005 0.02 . 1 . . . . A 25 PHE HD2 . 25974 1 152 . 1 . 1 25 25 PHE HE1 H 1 7.163 0.02 . 1 . . . . A 25 PHE HE1 . 25974 1 153 . 1 . 1 25 25 PHE HE2 H 1 7.163 0.02 . 1 . . . . A 25 PHE HE2 . 25974 1 154 . 1 . 1 25 25 PHE N N 15 122.423 0.161 . 1 . . . . A 25 PHE N . 25974 1 155 . 1 . 1 26 26 ILE H H 1 9.138 0.016 . 1 . . . . A 26 ILE H . 25974 1 156 . 1 . 1 26 26 ILE HA H 1 4.614 0.02 . 1 . . . . A 26 ILE HA . 25974 1 157 . 1 . 1 26 26 ILE HB H 1 1.800 0.02 . 1 . . . . A 26 ILE HB . 25974 1 158 . 1 . 1 26 26 ILE HG12 H 1 1.351 0.017 . 1 . . . . A 26 ILE HG12 . 25974 1 159 . 1 . 1 26 26 ILE HG21 H 1 0.833 0.02 . 1 . . . . A 26 ILE HG21 . 25974 1 160 . 1 . 1 26 26 ILE HG22 H 1 0.833 0.02 . 1 . . . . A 26 ILE HG22 . 25974 1 161 . 1 . 1 26 26 ILE HG23 H 1 0.833 0.02 . 1 . . . . A 26 ILE HG23 . 25974 1 162 . 1 . 1 26 26 ILE HD11 H 1 1.705 0.02 . 1 . . . . A 26 ILE HD11 . 25974 1 163 . 1 . 1 26 26 ILE HD12 H 1 1.705 0.02 . 1 . . . . A 26 ILE HD12 . 25974 1 164 . 1 . 1 26 26 ILE HD13 H 1 1.705 0.02 . 1 . . . . A 26 ILE HD13 . 25974 1 165 . 1 . 1 26 26 ILE N N 15 123.029 0.100 . 1 . . . . A 26 ILE N . 25974 1 166 . 1 . 1 27 27 LYS H H 1 8.335 0.015 . 1 . . . . A 27 LYS H . 25974 1 167 . 1 . 1 27 27 LYS HA H 1 4.163 0.002 . 1 . . . . A 27 LYS HA . 25974 1 168 . 1 . 1 27 27 LYS HB2 H 1 1.897 0.02 . 2 . . . . A 27 LYS HB2 . 25974 1 169 . 1 . 1 27 27 LYS HB3 H 1 1.731 0.02 . 2 . . . . A 27 LYS HB3 . 25974 1 170 . 1 . 1 27 27 LYS HG2 H 1 1.577 0.02 . 1 . . . . A 27 LYS HG2 . 25974 1 171 . 1 . 1 27 27 LYS HD2 H 1 1.689 0.02 . 1 . . . . A 27 LYS HD2 . 25974 1 172 . 1 . 1 27 27 LYS N N 15 127.077 0.112 . 1 . . . . A 27 LYS N . 25974 1 173 . 1 . 1 28 28 CYS H H 1 8.618 0.015 . 1 . . . . A 28 CYS H . 25974 1 174 . 1 . 1 28 28 CYS HA H 1 4.659 0.02 . 1 . . . . A 28 CYS HA . 25974 1 175 . 1 . 1 28 28 CYS HB2 H 1 3.290 0.02 . 2 . . . . A 28 CYS HB2 . 25974 1 176 . 1 . 1 28 28 CYS HB3 H 1 2.846 0.02 . 2 . . . . A 28 CYS HB3 . 25974 1 177 . 1 . 1 28 28 CYS N N 15 120.248 0.173 . 1 . . . . A 28 CYS N . 25974 1 178 . 1 . 1 29 29 PRO HA H 1 4.426 0.02 . 1 . . . . A 29 PRO HA . 25974 1 179 . 1 . 1 29 29 PRO HB2 H 1 2.546 0.02 . 2 . . . . A 29 PRO HB2 . 25974 1 180 . 1 . 1 29 29 PRO HB3 H 1 1.532 0.02 . 2 . . . . A 29 PRO HB3 . 25974 1 181 . 1 . 1 29 29 PRO HG2 H 1 2.279 0.02 . 2 . . . . A 29 PRO HG2 . 25974 1 182 . 1 . 1 29 29 PRO HG3 H 1 2.140 0.02 . 2 . . . . A 29 PRO HG3 . 25974 1 183 . 1 . 1 29 29 PRO HD2 H 1 3.689 0.002 . 1 . . . . A 29 PRO HD2 . 25974 1 184 . 1 . 1 30 30 LYS H H 1 8.002 0.012 . 1 . . . . A 30 LYS H . 25974 1 185 . 1 . 1 30 30 LYS HA H 1 3.949 0.02 . 1 . . . . A 30 LYS HA . 25974 1 186 . 1 . 1 30 30 LYS HB2 H 1 1.414 0.02 . 2 . . . . A 30 LYS HB2 . 25974 1 187 . 1 . 1 30 30 LYS HB3 H 1 1.560 0.02 . 2 . . . . A 30 LYS HB3 . 25974 1 188 . 1 . 1 30 30 LYS HG2 H 1 1.023 0.02 . 1 . . . . A 30 LYS HG2 . 25974 1 189 . 1 . 1 30 30 LYS N N 15 115.643 0.125 . 1 . . . . A 30 LYS N . 25974 1 190 . 1 . 1 31 31 PHE H H 1 6.308 0.014 . 1 . . . . A 31 PHE H . 25974 1 191 . 1 . 1 31 31 PHE HA H 1 4.504 0.02 . 1 . . . . A 31 PHE HA . 25974 1 192 . 1 . 1 31 31 PHE HB2 H 1 3.460 0.003 . 2 . . . . A 31 PHE HB2 . 25974 1 193 . 1 . 1 31 31 PHE HB3 H 1 2.514 0.005 . 2 . . . . A 31 PHE HB3 . 25974 1 194 . 1 . 1 31 31 PHE HE1 H 1 7.239 0.02 . 1 . . . . A 31 PHE HE1 . 25974 1 195 . 1 . 1 31 31 PHE HE2 H 1 7.239 0.02 . 1 . . . . A 31 PHE HE2 . 25974 1 196 . 1 . 1 31 31 PHE HZ H 1 7.430 0.02 . 1 . . . . A 31 PHE HZ . 25974 1 197 . 1 . 1 31 31 PHE N N 15 116.470 0.114 . 1 . . . . A 31 PHE N . 25974 1 198 . 1 . 1 32 32 ASP HA H 1 4.144 0.02 . 1 . . . . A 32 ASP HA . 25974 1 199 . 1 . 1 32 32 ASP HB2 H 1 2.599 0.02 . 1 . . . . A 32 ASP HB2 . 25974 1 200 . 1 . 1 33 33 ASN H H 1 8.564 0.002 . 1 . . . . A 33 ASN H . 25974 1 201 . 1 . 1 33 33 ASN HA H 1 4.673 0.02 . 1 . . . . A 33 ASN HA . 25974 1 202 . 1 . 1 33 33 ASN HB2 H 1 3.134 0.02 . 2 . . . . A 33 ASN HB2 . 25974 1 203 . 1 . 1 33 33 ASN HB3 H 1 2.879 0.02 . 2 . . . . A 33 ASN HB3 . 25974 1 204 . 1 . 1 33 33 ASN HD21 H 1 6.798 0.02 . 1 . . . . A 33 ASN HD21 . 25974 1 205 . 1 . 1 33 33 ASN HD22 H 1 7.519 0.02 . 1 . . . . A 33 ASN HD22 . 25974 1 206 . 1 . 1 33 33 ASN N N 15 113.110 0.004 . 1 . . . . A 33 ASN N . 25974 1 207 . 1 . 1 34 34 LYS H H 1 7.914 0.018 . 1 . . . . A 34 LYS H . 25974 1 208 . 1 . 1 34 34 LYS HA H 1 4.984 0.02 . 1 . . . . A 34 LYS HA . 25974 1 209 . 1 . 1 34 34 LYS HB2 H 1 2.289 0.02 . 2 . . . . A 34 LYS HB2 . 25974 1 210 . 1 . 1 34 34 LYS HB3 H 1 1.600 0.02 . 2 . . . . A 34 LYS HB3 . 25974 1 211 . 1 . 1 34 34 LYS HG2 H 1 1.410 0.02 . 1 . . . . A 34 LYS HG2 . 25974 1 212 . 1 . 1 34 34 LYS HD2 H 1 1.825 0.02 . 1 . . . . A 34 LYS HD2 . 25974 1 213 . 1 . 1 34 34 LYS N N 15 120.347 0.186 . 1 . . . . A 34 LYS N . 25974 1 214 . 1 . 1 35 35 LYS H H 1 7.005 0.012 . 1 . . . . A 35 LYS H . 25974 1 215 . 1 . 1 35 35 LYS HA H 1 4.608 0.02 . 1 . . . . A 35 LYS HA . 25974 1 216 . 1 . 1 35 35 LYS HB2 H 1 1.793 0.02 . 2 . . . . A 35 LYS HB2 . 25974 1 217 . 1 . 1 35 35 LYS HB3 H 1 1.631 0.02 . 2 . . . . A 35 LYS HB3 . 25974 1 218 . 1 . 1 35 35 LYS HG2 H 1 0.819 0.02 . 1 . . . . A 35 LYS HG2 . 25974 1 219 . 1 . 1 35 35 LYS HD2 H 1 1.314 0.02 . 1 . . . . A 35 LYS HD2 . 25974 1 220 . 1 . 1 35 35 LYS N N 15 117.863 0.129 . 1 . . . . A 35 LYS N . 25974 1 221 . 1 . 1 36 36 CYS H H 1 8.817 0.016 . 1 . . . . A 36 CYS H . 25974 1 222 . 1 . 1 36 36 CYS HA H 1 4.857 0.02 . 1 . . . . A 36 CYS HA . 25974 1 223 . 1 . 1 36 36 CYS HB2 H 1 3.209 0.02 . 2 . . . . A 36 CYS HB2 . 25974 1 224 . 1 . 1 36 36 CYS HB3 H 1 2.959 0.02 . 2 . . . . A 36 CYS HB3 . 25974 1 225 . 1 . 1 36 36 CYS N N 15 118.915 0.131 . 1 . . . . A 36 CYS N . 25974 1 226 . 1 . 1 37 37 THR H H 1 9.980 0.012 . 1 . . . . A 37 THR H . 25974 1 227 . 1 . 1 37 37 THR HA H 1 4.300 0.02 . 1 . . . . A 37 THR HA . 25974 1 228 . 1 . 1 37 37 THR HG21 H 1 1.113 0.02 . 1 . . . . A 37 THR HG21 . 25974 1 229 . 1 . 1 37 37 THR HG22 H 1 1.113 0.02 . 1 . . . . A 37 THR HG22 . 25974 1 230 . 1 . 1 37 37 THR HG23 H 1 1.113 0.02 . 1 . . . . A 37 THR HG23 . 25974 1 231 . 1 . 1 37 37 THR N N 15 121.008 0.120 . 1 . . . . A 37 THR N . 25974 1 232 . 1 . 1 38 38 LYS H H 1 7.287 0.012 . 1 . . . . A 38 LYS H . 25974 1 233 . 1 . 1 38 38 LYS HA H 1 4.137 0.02 . 1 . . . . A 38 LYS HA . 25974 1 234 . 1 . 1 38 38 LYS HB2 H 1 1.760 0.02 . 2 . . . . A 38 LYS HB2 . 25974 1 235 . 1 . 1 38 38 LYS HB3 H 1 1.491 0.02 . 2 . . . . A 38 LYS HB3 . 25974 1 236 . 1 . 1 38 38 LYS HG2 H 1 1.264 0.02 . 1 . . . . A 38 LYS HG2 . 25974 1 237 . 1 . 1 38 38 LYS HD2 H 1 1.346 0.005 . 1 . . . . A 38 LYS HD2 . 25974 1 238 . 1 . 1 38 38 LYS HE2 H 1 2.921 0.02 . 1 . . . . A 38 LYS HE2 . 25974 1 239 . 1 . 1 38 38 LYS N N 15 122.326 0.134 . 1 . . . . A 38 LYS N . 25974 1 240 . 1 . 1 39 39 ASP H H 1 8.817 0.014 . 1 . . . . A 39 ASP H . 25974 1 241 . 1 . 1 39 39 ASP HA H 1 4.578 0.02 . 1 . . . . A 39 ASP HA . 25974 1 242 . 1 . 1 39 39 ASP HB2 H 1 2.600 0.02 . 2 . . . . A 39 ASP HB2 . 25974 1 243 . 1 . 1 39 39 ASP HB3 H 1 2.531 0.02 . 2 . . . . A 39 ASP HB3 . 25974 1 244 . 1 . 1 39 39 ASP N N 15 125.238 0.125 . 1 . . . . A 39 ASP N . 25974 1 245 . 1 . 1 40 40 ASN H H 1 9.532 0.016 . 1 . . . . A 40 ASN H . 25974 1 246 . 1 . 1 40 40 ASN HA H 1 4.272 0.02 . 1 . . . . A 40 ASN HA . 25974 1 247 . 1 . 1 40 40 ASN HB2 H 1 3.175 0.02 . 2 . . . . A 40 ASN HB2 . 25974 1 248 . 1 . 1 40 40 ASN HB3 H 1 3.070 0.02 . 2 . . . . A 40 ASN HB3 . 25974 1 249 . 1 . 1 40 40 ASN HD21 H 1 7.000 0.02 . 1 . . . . A 40 ASN HD21 . 25974 1 250 . 1 . 1 40 40 ASN HD22 H 1 7.557 0.02 . 1 . . . . A 40 ASN HD22 . 25974 1 251 . 1 . 1 40 40 ASN N N 15 114.713 0.142 . 1 . . . . A 40 ASN N . 25974 1 252 . 1 . 1 41 41 ASN H H 1 7.742 0.013 . 1 . . . . A 41 ASN H . 25974 1 253 . 1 . 1 41 41 ASN HA H 1 4.717 0.02 . 1 . . . . A 41 ASN HA . 25974 1 254 . 1 . 1 41 41 ASN HB2 H 1 2.835 0.02 . 2 . . . . A 41 ASN HB2 . 25974 1 255 . 1 . 1 41 41 ASN HB3 H 1 3.339 0.02 . 2 . . . . A 41 ASN HB3 . 25974 1 256 . 1 . 1 41 41 ASN HD21 H 1 7.572 0.02 . 1 . . . . A 41 ASN HD21 . 25974 1 257 . 1 . 1 41 41 ASN HD22 H 1 6.444 0.02 . 1 . . . . A 41 ASN HD22 . 25974 1 258 . 1 . 1 41 41 ASN N N 15 120.080 0.142 . 1 . . . . A 41 ASN N . 25974 1 259 . 1 . 1 42 42 LYS H H 1 8.397 0.016 . 1 . . . . A 42 LYS H . 25974 1 260 . 1 . 1 42 42 LYS HA H 1 4.346 0.005 . 1 . . . . A 42 LYS HA . 25974 1 261 . 1 . 1 42 42 LYS HB2 H 1 1.735 0.02 . 1 . . . . A 42 LYS HB2 . 25974 1 262 . 1 . 1 42 42 LYS HG2 H 1 1.356 0.019 . 2 . . . . A 42 LYS HG2 . 25974 1 263 . 1 . 1 42 42 LYS HG3 H 1 1.282 0.02 . 2 . . . . A 42 LYS HG3 . 25974 1 264 . 1 . 1 42 42 LYS N N 15 118.956 0.125 . 1 . . . . A 42 LYS N . 25974 1 265 . 1 . 1 43 43 CYS H H 1 7.397 0.017 . 1 . . . . A 43 CYS H . 25974 1 266 . 1 . 1 43 43 CYS HA H 1 5.335 0.02 . 1 . . . . A 43 CYS HA . 25974 1 267 . 1 . 1 43 43 CYS HB2 H 1 3.703 0.02 . 2 . . . . A 43 CYS HB2 . 25974 1 268 . 1 . 1 43 43 CYS HB3 H 1 2.664 0.02 . 2 . . . . A 43 CYS HB3 . 25974 1 269 . 1 . 1 43 43 CYS N N 15 112.235 0.209 . 1 . . . . A 43 CYS N . 25974 1 270 . 1 . 1 44 44 THR H H 1 8.674 0.015 . 1 . . . . A 44 THR H . 25974 1 271 . 1 . 1 44 44 THR HA H 1 5.221 0.02 . 1 . . . . A 44 THR HA . 25974 1 272 . 1 . 1 44 44 THR HB H 1 4.036 0.002 . 1 . . . . A 44 THR HB . 25974 1 273 . 1 . 1 44 44 THR HG21 H 1 1.095 0.02 . 1 . . . . A 44 THR HG21 . 25974 1 274 . 1 . 1 44 44 THR HG22 H 1 1.095 0.02 . 1 . . . . A 44 THR HG22 . 25974 1 275 . 1 . 1 44 44 THR HG23 H 1 1.095 0.02 . 1 . . . . A 44 THR HG23 . 25974 1 276 . 1 . 1 44 44 THR N N 15 112.586 0.092 . 1 . . . . A 44 THR N . 25974 1 277 . 1 . 1 45 45 VAL H H 1 8.555 0.016 . 1 . . . . A 45 VAL H . 25974 1 278 . 1 . 1 45 45 VAL HA H 1 4.430 0.02 . 1 . . . . A 45 VAL HA . 25974 1 279 . 1 . 1 45 45 VAL HB H 1 1.202 0.002 . 1 . . . . A 45 VAL HB . 25974 1 280 . 1 . 1 45 45 VAL HG11 H 1 0.450 0.02 . 2 . . . . A 45 VAL HG11 . 25974 1 281 . 1 . 1 45 45 VAL HG12 H 1 0.450 0.02 . 2 . . . . A 45 VAL HG12 . 25974 1 282 . 1 . 1 45 45 VAL HG13 H 1 0.450 0.02 . 2 . . . . A 45 VAL HG13 . 25974 1 283 . 1 . 1 45 45 VAL HG21 H 1 0.419 0.02 . 2 . . . . A 45 VAL HG21 . 25974 1 284 . 1 . 1 45 45 VAL HG22 H 1 0.419 0.02 . 2 . . . . A 45 VAL HG22 . 25974 1 285 . 1 . 1 45 45 VAL HG23 H 1 0.419 0.02 . 2 . . . . A 45 VAL HG23 . 25974 1 286 . 1 . 1 45 45 VAL N N 15 121.814 0.171 . 1 . . . . A 45 VAL N . 25974 1 287 . 1 . 1 46 46 ASP H H 1 8.519 0.017 . 1 . . . . A 46 ASP H . 25974 1 288 . 1 . 1 46 46 ASP HA H 1 5.334 0.02 . 1 . . . . A 46 ASP HA . 25974 1 289 . 1 . 1 46 46 ASP HB2 H 1 2.402 0.02 . 2 . . . . A 46 ASP HB2 . 25974 1 290 . 1 . 1 46 46 ASP HB3 H 1 3.302 0.02 . 2 . . . . A 46 ASP HB3 . 25974 1 291 . 1 . 1 46 46 ASP N N 15 126.626 0.160 . 1 . . . . A 46 ASP N . 25974 1 292 . 1 . 1 47 47 THR H H 1 9.116 0.015 . 1 . . . . A 47 THR H . 25974 1 293 . 1 . 1 47 47 THR HA H 1 4.187 0.02 . 1 . . . . A 47 THR HA . 25974 1 294 . 1 . 1 47 47 THR HB H 1 4.589 0.002 . 1 . . . . A 47 THR HB . 25974 1 295 . 1 . 1 47 47 THR HG21 H 1 1.296 0.02 . 1 . . . . A 47 THR HG21 . 25974 1 296 . 1 . 1 47 47 THR HG22 H 1 1.296 0.02 . 1 . . . . A 47 THR HG22 . 25974 1 297 . 1 . 1 47 47 THR HG23 H 1 1.296 0.02 . 1 . . . . A 47 THR HG23 . 25974 1 298 . 1 . 1 47 47 THR N N 15 114.334 0.120 . 1 . . . . A 47 THR N . 25974 1 299 . 1 . 1 48 48 TYR H H 1 8.803 0.013 . 1 . . . . A 48 TYR H . 25974 1 300 . 1 . 1 48 48 TYR HA H 1 4.374 0.02 . 1 . . . . A 48 TYR HA . 25974 1 301 . 1 . 1 48 48 TYR HB2 H 1 3.106 0.02 . 2 . . . . A 48 TYR HB2 . 25974 1 302 . 1 . 1 48 48 TYR HB3 H 1 2.872 0.02 . 2 . . . . A 48 TYR HB3 . 25974 1 303 . 1 . 1 48 48 TYR HD1 H 1 7.017 0.02 . 1 . . . . A 48 TYR HD1 . 25974 1 304 . 1 . 1 48 48 TYR HD2 H 1 7.017 0.02 . 1 . . . . A 48 TYR HD2 . 25974 1 305 . 1 . 1 48 48 TYR HE1 H 1 6.758 0.02 . 1 . . . . A 48 TYR HE1 . 25974 1 306 . 1 . 1 48 48 TYR HE2 H 1 6.758 0.02 . 1 . . . . A 48 TYR HE2 . 25974 1 307 . 1 . 1 48 48 TYR N N 15 124.010 0.151 . 1 . . . . A 48 TYR N . 25974 1 308 . 1 . 1 49 49 ASN H H 1 7.433 0.011 . 1 . . . . A 49 ASN H . 25974 1 309 . 1 . 1 49 49 ASN HA H 1 4.475 0.02 . 1 . . . . A 49 ASN HA . 25974 1 310 . 1 . 1 49 49 ASN HB2 H 1 2.475 0.02 . 2 . . . . A 49 ASN HB2 . 25974 1 311 . 1 . 1 49 49 ASN HB3 H 1 2.739 0.02 . 2 . . . . A 49 ASN HB3 . 25974 1 312 . 1 . 1 49 49 ASN HD21 H 1 6.695 0.02 . 1 . . . . A 49 ASN HD21 . 25974 1 313 . 1 . 1 49 49 ASN HD22 H 1 7.593 0.02 . 1 . . . . A 49 ASN HD22 . 25974 1 314 . 1 . 1 49 49 ASN N N 15 113.668 0.121 . 1 . . . . A 49 ASN N . 25974 1 315 . 1 . 1 50 50 ASN H H 1 7.863 0.016 . 1 . . . . A 50 ASN H . 25974 1 316 . 1 . 1 50 50 ASN HA H 1 4.199 0.02 . 1 . . . . A 50 ASN HA . 25974 1 317 . 1 . 1 50 50 ASN HB2 H 1 2.925 0.02 . 2 . . . . A 50 ASN HB2 . 25974 1 318 . 1 . 1 50 50 ASN HB3 H 1 2.690 0.02 . 2 . . . . A 50 ASN HB3 . 25974 1 319 . 1 . 1 50 50 ASN HD21 H 1 6.586 0.02 . 1 . . . . A 50 ASN HD21 . 25974 1 320 . 1 . 1 50 50 ASN HD22 H 1 7.387 0.02 . 1 . . . . A 50 ASN HD22 . 25974 1 321 . 1 . 1 50 50 ASN N N 15 117.403 0.152 . 1 . . . . A 50 ASN N . 25974 1 322 . 1 . 1 51 51 ALA H H 1 7.853 0.014 . 1 . . . . A 51 ALA H . 25974 1 323 . 1 . 1 51 51 ALA HA H 1 4.437 0.02 . 1 . . . . A 51 ALA HA . 25974 1 324 . 1 . 1 51 51 ALA HB1 H 1 1.294 0.02 . 1 . . . . A 51 ALA HB1 . 25974 1 325 . 1 . 1 51 51 ALA HB2 H 1 1.294 0.02 . 1 . . . . A 51 ALA HB2 . 25974 1 326 . 1 . 1 51 51 ALA HB3 H 1 1.294 0.02 . 1 . . . . A 51 ALA HB3 . 25974 1 327 . 1 . 1 51 51 ALA N N 15 121.102 0.133 . 1 . . . . A 51 ALA N . 25974 1 328 . 1 . 1 52 52 VAL H H 1 8.297 0.018 . 1 . . . . A 52 VAL H . 25974 1 329 . 1 . 1 52 52 VAL HA H 1 4.875 0.02 . 1 . . . . A 52 VAL HA . 25974 1 330 . 1 . 1 52 52 VAL HB H 1 1.929 0.02 . 1 . . . . A 52 VAL HB . 25974 1 331 . 1 . 1 52 52 VAL HG11 H 1 0.998 0.02 . 2 . . . . A 52 VAL HG11 . 25974 1 332 . 1 . 1 52 52 VAL HG12 H 1 0.998 0.02 . 2 . . . . A 52 VAL HG12 . 25974 1 333 . 1 . 1 52 52 VAL HG13 H 1 0.998 0.02 . 2 . . . . A 52 VAL HG13 . 25974 1 334 . 1 . 1 52 52 VAL HG21 H 1 0.916 0.02 . 2 . . . . A 52 VAL HG21 . 25974 1 335 . 1 . 1 52 52 VAL HG22 H 1 0.916 0.02 . 2 . . . . A 52 VAL HG22 . 25974 1 336 . 1 . 1 52 52 VAL HG23 H 1 0.916 0.02 . 2 . . . . A 52 VAL HG23 . 25974 1 337 . 1 . 1 52 52 VAL N N 15 126.326 0.124 . 1 . . . . A 52 VAL N . 25974 1 338 . 1 . 1 53 53 ASP H H 1 8.519 0.016 . 1 . . . . A 53 ASP H . 25974 1 339 . 1 . 1 53 53 ASP HA H 1 4.795 0.02 . 1 . . . . A 53 ASP HA . 25974 1 340 . 1 . 1 53 53 ASP HB2 H 1 2.816 0.02 . 2 . . . . A 53 ASP HB2 . 25974 1 341 . 1 . 1 53 53 ASP HB3 H 1 2.310 0.02 . 2 . . . . A 53 ASP HB3 . 25974 1 342 . 1 . 1 53 53 ASP N N 15 125.100 0.161 . 1 . . . . A 53 ASP N . 25974 1 343 . 1 . 1 54 54 CYS H H 1 8.609 0.019 . 1 . . . . A 54 CYS H . 25974 1 344 . 1 . 1 54 54 CYS HA H 1 4.678 0.02 . 1 . . . . A 54 CYS HA . 25974 1 345 . 1 . 1 54 54 CYS HB2 H 1 3.496 0.001 . 1 . . . . A 54 CYS HB2 . 25974 1 346 . 1 . 1 54 54 CYS N N 15 126.377 0.247 . 1 . . . . A 54 CYS N . 25974 1 347 . 1 . 1 55 55 ASP H H 1 7.579 0.015 . 1 . . . . A 55 ASP H . 25974 1 348 . 1 . 1 55 55 ASP HA H 1 4.861 0.02 . 1 . . . . A 55 ASP HA . 25974 1 349 . 1 . 1 55 55 ASP HB2 H 1 2.688 0.02 . 1 . . . . A 55 ASP HB2 . 25974 1 350 . 1 . 1 55 55 ASP N N 15 128.711 0.095 . 1 . . . . A 55 ASP N . 25974 1 stop_ save_