################################### # 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_EN6_NMR-STAR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode EN6_NMR-STAR _Assigned_chem_shift_list.Entry_ID 15058 _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 3 '2D 1H-1H NOESY' . . . 15058 1 5 '1D 1H' . . . 15058 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 15058 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 3.676 0.005 . 1 . . . . 1 THR HA . 15058 1 2 . 1 1 1 1 THR HB H 1 3.836 0.005 . 1 . . . . 1 THR HB . 15058 1 3 . 1 1 1 1 THR HG21 H 1 0.946 0.005 . 1 . . . . 1 THR HG2 . 15058 1 4 . 1 1 1 1 THR HG22 H 1 0.946 0.005 . 1 . . . . 1 THR HG2 . 15058 1 5 . 1 1 1 1 THR HG23 H 1 0.946 0.005 . 1 . . . . 1 THR HG2 . 15058 1 6 . 1 1 2 2 ASP HA H 1 4.798 0.005 . 1 . . . . 2 ASP HA . 15058 1 7 . 1 1 2 2 ASP HB2 H 1 2.766 0.005 . 1 . . . . 2 ASP HB2 . 15058 1 8 . 1 1 2 2 ASP HB3 H 1 2.517 0.005 . 1 . . . . 2 ASP HB3 . 15058 1 9 . 1 1 3 3 PRO HA H 1 3.942 0.005 . 1 . . . . 3 PRO HA . 15058 1 10 . 1 1 3 3 PRO HB2 H 1 1.766 0.005 . 1 . . . . 3 PRO HB2 . 15058 1 11 . 1 1 3 3 PRO HB3 H 1 1.932 0.005 . 1 . . . . 3 PRO HB3 . 15058 1 12 . 1 1 3 3 PRO HG2 H 1 0.709 0.005 . 1 . . . . 3 PRO HG2 . 15058 1 13 . 1 1 3 3 PRO HG3 H 1 1.371 0.005 . 1 . . . . 3 PRO HG3 . 15058 1 14 . 1 1 3 3 PRO HD2 H 1 3.302 0.005 . 1 . . . . 3 PRO HD2 . 15058 1 15 . 1 1 3 3 PRO HD3 H 1 3.543 0.005 . 1 . . . . 3 PRO HD3 . 15058 1 16 . 1 1 4 4 GLU H H 1 8.041 0.005 . 1 . . . . 4 GLU H . 15058 1 17 . 1 1 4 4 GLU HA H 1 4.077 0.005 . 1 . . . . 4 GLU HA . 15058 1 18 . 1 1 4 4 GLU HB2 H 1 2.054 0.005 . 1 . . . . 4 GLU HB2 . 15058 1 19 . 1 1 4 4 GLU HB3 H 1 1.990 0.005 . 1 . . . . 4 GLU HB3 . 15058 1 20 . 1 1 4 4 GLU HG2 H 1 2.318 0.005 . 2 . . . . 4 GLU HG2 . 15058 1 21 . 1 1 5 5 GLU H H 1 7.618 0.005 . 1 . . . . 5 GLU H . 15058 1 22 . 1 1 5 5 GLU HA H 1 4.086 0.005 . 1 . . . . 5 GLU HA . 15058 1 23 . 1 1 5 5 GLU HB2 H 1 1.813 0.005 . 1 . . . . 5 GLU HB2 . 15058 1 24 . 1 1 5 5 GLU HB3 H 1 1.919 0.005 . 1 . . . . 5 GLU HB3 . 15058 1 25 . 1 1 5 5 GLU HG2 H 1 2.015 0.005 . 1 . . . . 5 GLU HG2 . 15058 1 26 . 1 1 5 5 GLU HG3 H 1 2.157 0.005 . 1 . . . . 5 GLU HG3 . 15058 1 27 . 1 1 6 6 HIS H H 1 7.572 0.005 . 1 . . . . 6 HIS H . 15058 1 28 . 1 1 6 6 HIS HA H 1 5.069 0.005 . 1 . . . . 6 HIS HA . 15058 1 29 . 1 1 6 6 HIS HB2 H 1 2.891 0.005 . 1 . . . . 6 HIS HB2 . 15058 1 30 . 1 1 6 6 HIS HB3 H 1 4.142 0.005 . 1 . . . . 6 HIS HB3 . 15058 1 31 . 1 1 6 6 HIS HD2 H 1 7.307 0.005 . 1 . . . . 6 HIS HD2 . 15058 1 32 . 1 1 6 6 HIS HE1 H 1 8.624 0.005 . 1 . . . . 6 HIS HE1 . 15058 1 33 . 1 1 7 7 PHE H H 1 7.693 0.005 . 1 . . . . 7 PHE H . 15058 1 34 . 1 1 7 7 PHE HA H 1 4.558 0.005 . 1 . . . . 7 PHE HA . 15058 1 35 . 1 1 7 7 PHE HB2 H 1 3.141 0.005 . 1 . . . . 7 PHE HB2 . 15058 1 36 . 1 1 7 7 PHE HB3 H 1 3.319 0.005 . 1 . . . . 7 PHE HB3 . 15058 1 37 . 1 1 7 7 PHE HD1 H 1 6.996 0.005 . 3 . . . . 7 PHE HD1 . 15058 1 38 . 1 1 7 7 PHE HE1 H 1 7.104 0.005 . 3 . . . . 7 PHE HE1 . 15058 1 39 . 1 1 8 8 ASP H H 1 8.085 0.005 . 1 . . . . 8 ASP H . 15058 1 40 . 1 1 8 8 ASP HA H 1 4.608 0.005 . 1 . . . . 8 ASP HA . 15058 1 41 . 1 1 8 8 ASP HB2 H 1 2.466 0.005 . 2 . . . . 8 ASP HB2 . 15058 1 42 . 1 1 9 9 PRO HA H 1 4.490 0.005 . 1 . . . . 9 PRO HA . 15058 1 43 . 1 1 9 9 PRO HB2 H 1 2.048 0.005 . 1 . . . . 9 PRO HB2 . 15058 1 44 . 1 1 9 9 PRO HB3 H 1 1.975 0.005 . 1 . . . . 9 PRO HB3 . 15058 1 45 . 1 1 9 9 PRO HG2 H 1 1.499 0.005 . 1 . . . . 9 PRO HG2 . 15058 1 46 . 1 1 9 9 PRO HG3 H 1 1.842 0.005 . 1 . . . . 9 PRO HG3 . 15058 1 47 . 1 1 9 9 PRO HD2 H 1 3.111 0.005 . 1 . . . . 9 PRO HD2 . 15058 1 48 . 1 1 9 9 PRO HD3 H 1 1.132 0.005 . 1 . . . . 9 PRO HD3 . 15058 1 49 . 1 1 10 10 ASN H H 1 8.290 0.005 . 1 . . . . 10 ASN H . 15058 1 50 . 1 1 10 10 ASN HA H 1 4.921 0.005 . 1 . . . . 10 ASN HA . 15058 1 51 . 1 1 10 10 ASN HB2 H 1 3.007 0.005 . 1 . . . . 10 ASN HB2 . 15058 1 52 . 1 1 10 10 ASN HB3 H 1 3.474 0.005 . 1 . . . . 10 ASN HB3 . 15058 1 53 . 1 1 10 10 ASN HD21 H 1 7.616 0.005 . 1 . . . . 10 ASN HD21 . 15058 1 54 . 1 1 10 10 ASN HD22 H 1 7.563 0.005 . 1 . . . . 10 ASN HD22 . 15058 1 55 . 1 1 11 11 THR H H 1 7.886 0.005 . 1 . . . . 11 THR H . 15058 1 56 . 1 1 11 11 THR HA H 1 4.012 0.005 . 1 . . . . 11 THR HA . 15058 1 57 . 1 1 11 11 THR HB H 1 4.260 0.005 . 1 . . . . 11 THR HB . 15058 1 58 . 1 1 11 11 THR HG21 H 1 1.256 0.005 . 1 . . . . 11 THR HG2 . 15058 1 59 . 1 1 11 11 THR HG22 H 1 1.256 0.005 . 1 . . . . 11 THR HG2 . 15058 1 60 . 1 1 11 11 THR HG23 H 1 1.256 0.005 . 1 . . . . 11 THR HG2 . 15058 1 61 . 1 1 12 12 ASN H H 1 8.452 0.005 . 1 . . . . 12 ASN H . 15058 1 62 . 1 1 12 12 ASN HA H 1 4.734 0.005 . 1 . . . . 12 ASN HA . 15058 1 63 . 1 1 12 12 ASN HB2 H 1 2.556 0.005 . 1 . . . . 12 ASN HB2 . 15058 1 64 . 1 1 12 12 ASN HB3 H 1 2.826 0.005 . 1 . . . . 12 ASN HB3 . 15058 1 65 . 1 1 12 12 ASN HD21 H 1 7.748 0.005 . 1 . . . . 12 ASN HD21 . 15058 1 66 . 1 1 12 12 ASN HD22 H 1 6.747 0.005 . 1 . . . . 12 ASN HD22 . 15058 1 67 . 1 1 13 13 CYS H H 1 7.391 0.005 . 1 . . . . 13 CYS H . 15058 1 68 . 1 1 13 13 CYS HA H 1 4.556 0.005 . 1 . . . . 13 CYS HA . 15058 1 69 . 1 1 13 13 CYS HB2 H 1 2.847 0.005 . 1 . . . . 13 CYS HB2 . 15058 1 70 . 1 1 13 13 CYS HB3 H 1 3.329 0.005 . 1 . . . . 13 CYS HB3 . 15058 1 71 . 1 1 14 14 ASP H H 1 9.212 0.005 . 1 . . . . 14 ASP H . 15058 1 72 . 1 1 14 14 ASP HA H 1 4.344 0.005 . 1 . . . . 14 ASP HA . 15058 1 73 . 1 1 14 14 ASP HB2 H 1 1.737 0.005 . 1 . . . . 14 ASP HB2 . 15058 1 74 . 1 1 14 14 ASP HB3 H 1 2.085 0.005 . 1 . . . . 14 ASP HB3 . 15058 1 75 . 1 1 15 15 TYR H H 1 7.214 0.005 . 1 . . . . 15 TYR H . 15058 1 76 . 1 1 15 15 TYR HA H 1 4.889 0.005 . 1 . . . . 15 TYR HA . 15058 1 77 . 1 1 15 15 TYR HB2 H 1 2.560 0.005 . 1 . . . . 15 TYR HB2 . 15058 1 78 . 1 1 15 15 TYR HB3 H 1 3.375 0.005 . 1 . . . . 15 TYR HB3 . 15058 1 79 . 1 1 15 15 TYR HD1 H 1 7.121 0.005 . 3 . . . . 15 TYR HD1 . 15058 1 80 . 1 1 15 15 TYR HE1 H 1 6.388 0.005 . 3 . . . . 15 TYR HE1 . 15058 1 81 . 1 1 16 16 THR H H 1 9.063 0.005 . 1 . . . . 16 THR H . 15058 1 82 . 1 1 16 16 THR HA H 1 4.541 0.005 . 1 . . . . 16 THR HA . 15058 1 83 . 1 1 16 16 THR HB H 1 4.647 0.005 . 1 . . . . 16 THR HB . 15058 1 84 . 1 1 16 16 THR HG21 H 1 1.275 0.005 . 1 . . . . 16 THR HG2 . 15058 1 85 . 1 1 16 16 THR HG22 H 1 1.275 0.005 . 1 . . . . 16 THR HG2 . 15058 1 86 . 1 1 16 16 THR HG23 H 1 1.275 0.005 . 1 . . . . 16 THR HG2 . 15058 1 87 . 1 1 17 17 ASN H H 1 7.518 0.005 . 1 . . . . 17 ASN H . 15058 1 88 . 1 1 17 17 ASN HA H 1 4.766 0.005 . 1 . . . . 17 ASN HA . 15058 1 89 . 1 1 17 17 ASN HB2 H 1 2.848 0.005 . 1 . . . . 17 ASN HB2 . 15058 1 90 . 1 1 17 17 ASN HB3 H 1 2.796 0.005 . 1 . . . . 17 ASN HB3 . 15058 1 91 . 1 1 17 17 ASN HD21 H 1 7.272 0.005 . 1 . . . . 17 ASN HD21 . 15058 1 92 . 1 1 17 17 ASN HD22 H 1 7.445 0.005 . 1 . . . . 17 ASN HD22 . 15058 1 93 . 1 1 18 18 SER H H 1 8.710 0.005 . 1 . . . . 18 SER H . 15058 1 94 . 1 1 18 18 SER HA H 1 2.765 0.005 . 1 . . . . 18 SER HA . 15058 1 95 . 1 1 18 18 SER HB2 H 1 3.486 0.005 . 2 . . . . 18 SER HB2 . 15058 1 96 . 1 1 19 19 GLN H H 1 8.005 0.005 . 1 . . . . 19 GLN H . 15058 1 97 . 1 1 19 19 GLN HA H 1 3.992 0.005 . 1 . . . . 19 GLN HA . 15058 1 98 . 1 1 19 19 GLN HB2 H 1 2.111 0.005 . 1 . . . . 19 GLN HB2 . 15058 1 99 . 1 1 19 19 GLN HB3 H 1 2.156 0.005 . 1 . . . . 19 GLN HB3 . 15058 1 100 . 1 1 19 19 GLN HG2 H 1 2.409 0.005 . 1 . . . . 19 GLN HG2 . 15058 1 101 . 1 1 19 19 GLN HG3 H 1 2.466 0.005 . 1 . . . . 19 GLN HG3 . 15058 1 102 . 1 1 19 19 GLN HE21 H 1 6.741 0.005 . 1 . . . . 19 GLN HE21 . 15058 1 103 . 1 1 19 19 GLN HE22 H 1 8.083 0.005 . 1 . . . . 19 GLN HE22 . 15058 1 104 . 1 1 20 20 ASP H H 1 8.265 0.005 . 1 . . . . 20 ASP H . 15058 1 105 . 1 1 20 20 ASP HA H 1 4.458 0.005 . 1 . . . . 20 ASP HA . 15058 1 106 . 1 1 20 20 ASP HB2 H 1 2.660 0.005 . 1 . . . . 20 ASP HB2 . 15058 1 107 . 1 1 20 20 ASP HB3 H 1 2.753 0.005 . 1 . . . . 20 ASP HB3 . 15058 1 108 . 1 1 21 21 ALA H H 1 7.769 0.005 . 1 . . . . 21 ALA H . 15058 1 109 . 1 1 21 21 ALA HA H 1 3.905 0.005 . 1 . . . . 21 ALA HA . 15058 1 110 . 1 1 21 21 ALA HB1 H 1 1.481 0.005 . 1 . . . . 21 ALA HB . 15058 1 111 . 1 1 21 21 ALA HB2 H 1 1.481 0.005 . 1 . . . . 21 ALA HB . 15058 1 112 . 1 1 21 21 ALA HB3 H 1 1.481 0.005 . 1 . . . . 21 ALA HB . 15058 1 113 . 1 1 22 22 TRP H H 1 8.751 0.005 . 1 . . . . 22 TRP H . 15058 1 114 . 1 1 22 22 TRP HA H 1 4.315 0.005 . 1 . . . . 22 TRP HA . 15058 1 115 . 1 1 22 22 TRP HB2 H 1 3.395 0.005 . 2 . . . . 22 TRP HB2 . 15058 1 116 . 1 1 22 22 TRP HD1 H 1 7.226 0.005 . 1 . . . . 22 TRP HD1 . 15058 1 117 . 1 1 22 22 TRP HE1 H 1 9.860 0.005 . 1 . . . . 22 TRP HE1 . 15058 1 118 . 1 1 22 22 TRP HE3 H 1 6.799 0.005 . 1 . . . . 22 TRP HE3 . 15058 1 119 . 1 1 22 22 TRP HZ2 H 1 7.295 0.005 . 1 . . . . 22 TRP HZ2 . 15058 1 120 . 1 1 22 22 TRP HZ3 H 1 6.137 0.005 . 1 . . . . 22 TRP HZ3 . 15058 1 121 . 1 1 22 22 TRP HH2 H 1 6.700 0.005 . 1 . . . . 22 TRP HH2 . 15058 1 122 . 1 1 23 23 ASP H H 1 9.185 0.005 . 1 . . . . 23 ASP H . 15058 1 123 . 1 1 23 23 ASP HA H 1 4.236 0.005 . 1 . . . . 23 ASP HA . 15058 1 124 . 1 1 23 23 ASP HB2 H 1 2.376 0.005 . 1 . . . . 23 ASP HB2 . 15058 1 125 . 1 1 23 23 ASP HB3 H 1 2.837 0.005 . 1 . . . . 23 ASP HB3 . 15058 1 126 . 1 1 24 24 TYR H H 1 8.669 0.005 . 1 . . . . 24 TYR H . 15058 1 127 . 1 1 24 24 TYR HA H 1 4.424 0.005 . 1 . . . . 24 TYR HA . 15058 1 128 . 1 1 24 24 TYR HB2 H 1 2.256 0.005 . 1 . . . . 24 TYR HB2 . 15058 1 129 . 1 1 24 24 TYR HB3 H 1 2.956 0.005 . 1 . . . . 24 TYR HB3 . 15058 1 130 . 1 1 24 24 TYR HD1 H 1 7.113 0.005 . 3 . . . . 24 TYR HD1 . 15058 1 131 . 1 1 24 24 TYR HE1 H 1 6.747 0.005 . 3 . . . . 24 TYR HE1 . 15058 1 132 . 1 1 25 25 CYS H H 1 9.155 0.005 . 1 . . . . 25 CYS H . 15058 1 133 . 1 1 25 25 CYS HA H 1 4.810 0.005 . 1 . . . . 25 CYS HA . 15058 1 134 . 1 1 25 25 CYS HB2 H 1 3.651 0.005 . 1 . . . . 25 CYS HB2 . 15058 1 135 . 1 1 25 25 CYS HB3 H 1 3.169 0.005 . 1 . . . . 25 CYS HB3 . 15058 1 136 . 1 1 26 26 THR H H 1 7.986 0.005 . 1 . . . . 26 THR H . 15058 1 137 . 1 1 26 26 THR HA H 1 4.044 0.005 . 1 . . . . 26 THR HA . 15058 1 138 . 1 1 26 26 THR HB H 1 3.878 0.005 . 1 . . . . 26 THR HB . 15058 1 139 . 1 1 26 26 THR HG21 H 1 0.220 0.005 . 1 . . . . 26 THR HG2 . 15058 1 140 . 1 1 26 26 THR HG22 H 1 0.220 0.005 . 1 . . . . 26 THR HG2 . 15058 1 141 . 1 1 26 26 THR HG23 H 1 0.220 0.005 . 1 . . . . 26 THR HG2 . 15058 1 142 . 1 1 27 27 ASN H H 1 8.005 0.005 . 1 . . . . 27 ASN H . 15058 1 143 . 1 1 27 27 ASN HA H 1 4.552 0.005 . 1 . . . . 27 ASN HA . 15058 1 144 . 1 1 27 27 ASN HB2 H 1 3.561 0.005 . 1 . . . . 27 ASN HB2 . 15058 1 145 . 1 1 27 27 ASN HB3 H 1 2.004 0.005 . 1 . . . . 27 ASN HB3 . 15058 1 146 . 1 1 27 27 ASN HD21 H 1 6.607 0.005 . 1 . . . . 27 ASN HD21 . 15058 1 147 . 1 1 27 27 ASN HD22 H 1 7.016 0.005 . 1 . . . . 27 ASN HD22 . 15058 1 148 . 1 1 28 28 TYR H H 1 7.830 0.005 . 1 . . . . 28 TYR H . 15058 1 149 . 1 1 28 28 TYR HA H 1 3.954 0.005 . 1 . . . . 28 TYR HA . 15058 1 150 . 1 1 28 28 TYR HB2 H 1 2.843 0.005 . 1 . . . . 28 TYR HB2 . 15058 1 151 . 1 1 28 28 TYR HB3 H 1 3.102 0.005 . 1 . . . . 28 TYR HB3 . 15058 1 152 . 1 1 28 28 TYR HD1 H 1 6.952 0.005 . 3 . . . . 28 TYR HD1 . 15058 1 153 . 1 1 28 28 TYR HE1 H 1 6.811 0.005 . 3 . . . . 28 TYR HE1 . 15058 1 154 . 1 1 29 29 ILE H H 1 6.950 0.005 . 1 . . . . 29 ILE H . 15058 1 155 . 1 1 29 29 ILE HA H 1 3.697 0.005 . 1 . . . . 29 ILE HA . 15058 1 156 . 1 1 29 29 ILE HB H 1 0.661 0.005 . 1 . . . . 29 ILE HB . 15058 1 157 . 1 1 29 29 ILE HG12 H 1 0.491 0.005 . 1 . . . . 29 ILE HG12 . 15058 1 158 . 1 1 29 29 ILE HG13 H 1 0.755 0.005 . 1 . . . . 29 ILE HG13 . 15058 1 159 . 1 1 29 29 ILE HG21 H 1 0.565 0.005 . 1 . . . . 29 ILE HG2 . 15058 1 160 . 1 1 29 29 ILE HG22 H 1 0.565 0.005 . 1 . . . . 29 ILE HG2 . 15058 1 161 . 1 1 29 29 ILE HG23 H 1 0.565 0.005 . 1 . . . . 29 ILE HG2 . 15058 1 162 . 1 1 29 29 ILE HD11 H 1 1.109 0.005 . 1 . . . . 29 ILE HD1 . 15058 1 163 . 1 1 29 29 ILE HD12 H 1 1.109 0.005 . 1 . . . . 29 ILE HD1 . 15058 1 164 . 1 1 29 29 ILE HD13 H 1 1.109 0.005 . 1 . . . . 29 ILE HD1 . 15058 1 165 . 1 1 30 30 VAL H H 1 8.023 0.005 . 1 . . . . 30 VAL H . 15058 1 166 . 1 1 30 30 VAL HA H 1 3.657 0.005 . 1 . . . . 30 VAL HA . 15058 1 167 . 1 1 30 30 VAL HB H 1 1.818 0.005 . 1 . . . . 30 VAL HB . 15058 1 168 . 1 1 30 30 VAL HG11 H 1 0.971 0.005 . 1 . . . . 30 VAL HG1 . 15058 1 169 . 1 1 30 30 VAL HG12 H 1 0.971 0.005 . 1 . . . . 30 VAL HG1 . 15058 1 170 . 1 1 30 30 VAL HG13 H 1 0.971 0.005 . 1 . . . . 30 VAL HG1 . 15058 1 171 . 1 1 31 31 ASN H H 1 9.183 0.005 . 1 . . . . 31 ASN H . 15058 1 172 . 1 1 31 31 ASN HA H 1 5.079 0.005 . 1 . . . . 31 ASN HA . 15058 1 173 . 1 1 31 31 ASN HB2 H 1 2.881 0.005 . 1 . . . . 31 ASN HB2 . 15058 1 174 . 1 1 31 31 ASN HB3 H 1 3.014 0.005 . 1 . . . . 31 ASN HB3 . 15058 1 175 . 1 1 31 31 ASN HD21 H 1 8.496 0.005 . 1 . . . . 31 ASN HD21 . 15058 1 176 . 1 1 31 31 ASN HD22 H 1 8.224 0.005 . 1 . . . . 31 ASN HD22 . 15058 1 177 . 1 1 32 32 SER H H 1 8.225 0.005 . 1 . . . . 32 SER H . 15058 1 178 . 1 1 32 32 SER HA H 1 2.882 0.005 . 1 . . . . 32 SER HA . 15058 1 179 . 1 1 32 32 SER HB2 H 1 3.017 0.005 . 2 . . . . 32 SER HB2 . 15058 1 180 . 1 1 33 33 SER H H 1 8.185 0.005 . 1 . . . . 33 SER H . 15058 1 181 . 1 1 33 33 SER HA H 1 4.909 0.005 . 1 . . . . 33 SER HA . 15058 1 182 . 1 1 33 33 SER HB2 H 1 4.047 0.005 . 1 . . . . 33 SER HB2 . 15058 1 183 . 1 1 33 33 SER HB3 H 1 4.309 0.005 . 1 . . . . 33 SER HB3 . 15058 1 184 . 1 1 34 34 CYS H H 1 6.861 0.005 . 1 . . . . 34 CYS H . 15058 1 185 . 1 1 34 34 CYS HA H 1 4.719 0.005 . 1 . . . . 34 CYS HA . 15058 1 186 . 1 1 34 34 CYS HB2 H 1 3.173 0.005 . 1 . . . . 34 CYS HB2 . 15058 1 187 . 1 1 34 34 CYS HB3 H 1 3.598 0.005 . 1 . . . . 34 CYS HB3 . 15058 1 188 . 1 1 35 35 GLY H H 1 9.891 0.005 . 1 . . . . 35 GLY H . 15058 1 189 . 1 1 35 35 GLY HA2 H 1 3.195 0.005 . 1 . . . . 35 GLY HA2 . 15058 1 190 . 1 1 35 35 GLY HA3 H 1 4.804 0.005 . 1 . . . . 35 GLY HA3 . 15058 1 191 . 1 1 36 36 GLU H H 1 8.294 0.005 . 1 . . . . 36 GLU H . 15058 1 192 . 1 1 36 36 GLU HA H 1 3.315 0.005 . 1 . . . . 36 GLU HA . 15058 1 193 . 1 1 36 36 GLU HB2 H 1 1.872 0.005 . 1 . . . . 36 GLU HB2 . 15058 1 194 . 1 1 36 36 GLU HB3 H 1 2.166 0.005 . 1 . . . . 36 GLU HB3 . 15058 1 195 . 1 1 36 36 GLU HG2 H 1 1.966 0.005 . 2 . . . . 36 GLU HG2 . 15058 1 196 . 1 1 37 37 ILE H H 1 8.075 0.005 . 1 . . . . 37 ILE H . 15058 1 197 . 1 1 37 37 ILE HA H 1 3.692 0.005 . 1 . . . . 37 ILE HA . 15058 1 198 . 1 1 37 37 ILE HB H 1 1.909 0.005 . 1 . . . . 37 ILE HB . 15058 1 199 . 1 1 37 37 ILE HG12 H 1 1.577 0.005 . 1 . . . . 37 ILE HG12 . 15058 1 200 . 1 1 37 37 ILE HG13 H 1 1.238 0.005 . 1 . . . . 37 ILE HG13 . 15058 1 201 . 1 1 37 37 ILE HG21 H 1 0.974 0.005 . 1 . . . . 37 ILE HG2 . 15058 1 202 . 1 1 37 37 ILE HG22 H 1 0.974 0.005 . 1 . . . . 37 ILE HG2 . 15058 1 203 . 1 1 37 37 ILE HG23 H 1 0.974 0.005 . 1 . . . . 37 ILE HG2 . 15058 1 204 . 1 1 37 37 ILE HD11 H 1 0.854 0.005 . 1 . . . . 37 ILE HD1 . 15058 1 205 . 1 1 37 37 ILE HD12 H 1 0.854 0.005 . 1 . . . . 37 ILE HD1 . 15058 1 206 . 1 1 37 37 ILE HD13 H 1 0.854 0.005 . 1 . . . . 37 ILE HD1 . 15058 1 207 . 1 1 38 38 CYS H H 1 7.801 0.005 . 1 . . . . 38 CYS H . 15058 1 208 . 1 1 38 38 CYS HA H 1 4.438 0.005 . 1 . . . . 38 CYS HA . 15058 1 209 . 1 1 38 38 CYS HB2 H 1 3.347 0.005 . 1 . . . . 38 CYS HB2 . 15058 1 210 . 1 1 38 38 CYS HB3 H 1 3.625 0.005 . 1 . . . . 38 CYS HB3 . 15058 1 211 . 1 1 39 39 CYS H H 1 9.403 0.005 . 1 . . . . 39 CYS H . 15058 1 212 . 1 1 39 39 CYS HA H 1 4.569 0.005 . 1 . . . . 39 CYS HA . 15058 1 213 . 1 1 39 39 CYS HB2 H 1 2.996 0.005 . 1 . . . . 39 CYS HB2 . 15058 1 214 . 1 1 39 39 CYS HB3 H 1 3.241 0.005 . 1 . . . . 39 CYS HB3 . 15058 1 215 . 1 1 40 40 ASN H H 1 8.564 0.005 . 1 . . . . 40 ASN H . 15058 1 216 . 1 1 40 40 ASN HA H 1 4.783 0.005 . 1 . . . . 40 ASN HA . 15058 1 217 . 1 1 40 40 ASN HB2 H 1 2.870 0.005 . 1 . . . . 40 ASN HB2 . 15058 1 218 . 1 1 40 40 ASN HB3 H 1 3.044 0.005 . 1 . . . . 40 ASN HB3 . 15058 1 219 . 1 1 40 40 ASN HD21 H 1 7.694 0.005 . 1 . . . . 40 ASN HD21 . 15058 1 220 . 1 1 40 40 ASN HD22 H 1 7.207 0.005 . 1 . . . . 40 ASN HD22 . 15058 1 221 . 1 1 41 41 ASP H H 1 8.835 0.005 . 1 . . . . 41 ASP H . 15058 1 222 . 1 1 41 41 ASP HA H 1 4.788 0.005 . 1 . . . . 41 ASP HA . 15058 1 223 . 1 1 41 41 ASP HB2 H 1 2.619 0.005 . 1 . . . . 41 ASP HB2 . 15058 1 224 . 1 1 41 41 ASP HB3 H 1 2.884 0.005 . 1 . . . . 41 ASP HB3 . 15058 1 225 . 1 1 42 42 CYS H H 1 8.380 0.005 . 1 . . . . 42 CYS H . 15058 1 226 . 1 1 42 42 CYS HA H 1 4.553 0.005 . 1 . . . . 42 CYS HA . 15058 1 227 . 1 1 42 42 CYS HB2 H 1 2.767 0.005 . 1 . . . . 42 CYS HB2 . 15058 1 228 . 1 1 42 42 CYS HB3 H 1 3.073 0.005 . 1 . . . . 42 CYS HB3 . 15058 1 229 . 1 1 43 43 PHE H H 1 8.061 0.005 . 1 . . . . 43 PHE H . 15058 1 230 . 1 1 43 43 PHE HA H 1 5.267 0.005 . 1 . . . . 43 PHE HA . 15058 1 231 . 1 1 43 43 PHE HB2 H 1 3.125 0.005 . 1 . . . . 43 PHE HB2 . 15058 1 232 . 1 1 43 43 PHE HB3 H 1 3.325 0.005 . 1 . . . . 43 PHE HB3 . 15058 1 233 . 1 1 43 43 PHE HD1 H 1 7.686 0.005 . 3 . . . . 43 PHE HD1 . 15058 1 234 . 1 1 43 43 PHE HE1 H 1 7.442 0.005 . 3 . . . . 43 PHE HE1 . 15058 1 235 . 1 1 43 43 PHE HZ H 1 7.544 0.005 . 1 . . . . 43 PHE HZ . 15058 1 236 . 1 1 44 44 ASP H H 1 8.687 0.005 . 1 . . . . 44 ASP H . 15058 1 237 . 1 1 44 44 ASP HA H 1 5.010 0.005 . 1 . . . . 44 ASP HA . 15058 1 238 . 1 1 44 44 ASP HB2 H 1 2.972 0.005 . 1 . . . . 44 ASP HB2 . 15058 1 239 . 1 1 44 44 ASP HB3 H 1 3.556 0.005 . 1 . . . . 44 ASP HB3 . 15058 1 240 . 1 1 45 45 GLU H H 1 8.809 0.005 . 1 . . . . 45 GLU H . 15058 1 241 . 1 1 45 45 GLU HA H 1 4.136 0.005 . 1 . . . . 45 GLU HA . 15058 1 242 . 1 1 45 45 GLU HB2 H 1 2.238 0.005 . 1 . . . . 45 GLU HB2 . 15058 1 243 . 1 1 45 45 GLU HB3 H 1 2.165 0.005 . 1 . . . . 45 GLU HB3 . 15058 1 244 . 1 1 45 45 GLU HG2 H 1 2.386 0.005 . 2 . . . . 45 GLU HG2 . 15058 1 245 . 1 1 46 46 THR H H 1 8.243 0.005 . 1 . . . . 46 THR H . 15058 1 246 . 1 1 46 46 THR HA H 1 4.073 0.005 . 1 . . . . 46 THR HA . 15058 1 247 . 1 1 46 46 THR HB H 1 3.775 0.005 . 1 . . . . 46 THR HB . 15058 1 248 . 1 1 46 46 THR HG21 H 1 1.006 0.005 . 1 . . . . 46 THR HG2 . 15058 1 249 . 1 1 46 46 THR HG22 H 1 1.006 0.005 . 1 . . . . 46 THR HG2 . 15058 1 250 . 1 1 46 46 THR HG23 H 1 1.006 0.005 . 1 . . . . 46 THR HG2 . 15058 1 251 . 1 1 47 47 GLY H H 1 9.293 0.005 . 1 . . . . 47 GLY H . 15058 1 252 . 1 1 47 47 GLY HA2 H 1 3.484 0.005 . 1 . . . . 47 GLY HA2 . 15058 1 253 . 1 1 47 47 GLY HA3 H 1 3.733 0.005 . 1 . . . . 47 GLY HA3 . 15058 1 254 . 1 1 48 48 THR H H 1 9.173 0.005 . 1 . . . . 48 THR H . 15058 1 255 . 1 1 48 48 THR HA H 1 3.783 0.005 . 1 . . . . 48 THR HA . 15058 1 256 . 1 1 48 48 THR HB H 1 4.342 0.005 . 1 . . . . 48 THR HB . 15058 1 257 . 1 1 48 48 THR HG21 H 1 1.277 0.005 . 1 . . . . 48 THR HG2 . 15058 1 258 . 1 1 48 48 THR HG22 H 1 1.277 0.005 . 1 . . . . 48 THR HG2 . 15058 1 259 . 1 1 48 48 THR HG23 H 1 1.277 0.005 . 1 . . . . 48 THR HG2 . 15058 1 260 . 1 1 49 49 GLY H H 1 7.826 0.005 . 1 . . . . 49 GLY H . 15058 1 261 . 1 1 49 49 GLY HA2 H 1 3.864 0.005 . 1 . . . . 49 GLY HA2 . 15058 1 262 . 1 1 49 49 GLY HA3 H 1 4.082 0.005 . 1 . . . . 49 GLY HA3 . 15058 1 263 . 1 1 50 50 ALA H H 1 7.388 0.005 . 1 . . . . 50 ALA H . 15058 1 264 . 1 1 50 50 ALA HA H 1 4.349 0.005 . 1 . . . . 50 ALA HA . 15058 1 265 . 1 1 50 50 ALA HB1 H 1 1.616 0.005 . 1 . . . . 50 ALA HB . 15058 1 266 . 1 1 50 50 ALA HB2 H 1 1.616 0.005 . 1 . . . . 50 ALA HB . 15058 1 267 . 1 1 50 50 ALA HB3 H 1 1.616 0.005 . 1 . . . . 50 ALA HB . 15058 1 268 . 1 1 51 51 CYS H H 1 8.393 0.005 . 1 . . . . 51 CYS H . 15058 1 269 . 1 1 51 51 CYS HA H 1 3.464 0.005 . 1 . . . . 51 CYS HA . 15058 1 270 . 1 1 51 51 CYS HB2 H 1 2.403 0.005 . 2 . . . . 51 CYS HB2 . 15058 1 271 . 1 1 52 52 ARG H H 1 8.865 0.005 . 1 . . . . 52 ARG H . 15058 1 272 . 1 1 52 52 ARG HA H 1 4.079 0.005 . 1 . . . . 52 ARG HA . 15058 1 273 . 1 1 52 52 ARG HB2 H 1 1.960 0.005 . 1 . . . . 52 ARG HB2 . 15058 1 274 . 1 1 52 52 ARG HB3 H 1 2.356 0.005 . 1 . . . . 52 ARG HB3 . 15058 1 275 . 1 1 52 52 ARG HG2 H 1 1.516 0.005 . 1 . . . . 52 ARG HG2 . 15058 1 276 . 1 1 52 52 ARG HG3 H 1 2.516 0.005 . 1 . . . . 52 ARG HG3 . 15058 1 277 . 1 1 52 52 ARG HD2 H 1 3.161 0.005 . 2 . . . . 52 ARG HD2 . 15058 1 278 . 1 1 52 52 ARG HE H 1 10.586 0.005 . 1 . . . . 52 ARG HE . 15058 1 279 . 1 1 52 52 ARG HH21 H 1 6.454 0.005 . 2 . . . . 52 ARG HH21 . 15058 1 280 . 1 1 53 53 ALA H H 1 7.853 0.005 . 1 . . . . 53 ALA H . 15058 1 281 . 1 1 53 53 ALA HA H 1 4.180 0.005 . 1 . . . . 53 ALA HA . 15058 1 282 . 1 1 53 53 ALA HB1 H 1 1.532 0.005 . 1 . . . . 53 ALA HB . 15058 1 283 . 1 1 53 53 ALA HB2 H 1 1.532 0.005 . 1 . . . . 53 ALA HB . 15058 1 284 . 1 1 53 53 ALA HB3 H 1 1.532 0.005 . 1 . . . . 53 ALA HB . 15058 1 285 . 1 1 54 54 GLN H H 1 8.044 0.005 . 1 . . . . 54 GLN H . 15058 1 286 . 1 1 54 54 GLN HA H 1 4.179 0.005 . 1 . . . . 54 GLN HA . 15058 1 287 . 1 1 54 54 GLN HB2 H 1 1.830 0.005 . 1 . . . . 54 GLN HB2 . 15058 1 288 . 1 1 54 54 GLN HB3 H 1 2.132 0.005 . 1 . . . . 54 GLN HB3 . 15058 1 289 . 1 1 54 54 GLN HG2 H 1 2.404 0.005 . 2 . . . . 54 GLN HG2 . 15058 1 290 . 1 1 54 54 GLN HE21 H 1 7.059 0.005 . 1 . . . . 54 GLN HE21 . 15058 1 291 . 1 1 54 54 GLN HE22 H 1 7.583 0.005 . 1 . . . . 54 GLN HE22 . 15058 1 292 . 1 1 55 55 ALA H H 1 8.677 0.005 . 1 . . . . 55 ALA H . 15058 1 293 . 1 1 55 55 ALA HA H 1 4.523 0.005 . 1 . . . . 55 ALA HA . 15058 1 294 . 1 1 55 55 ALA HB1 H 1 1.697 0.005 . 1 . . . . 55 ALA HB . 15058 1 295 . 1 1 55 55 ALA HB2 H 1 1.697 0.005 . 1 . . . . 55 ALA HB . 15058 1 296 . 1 1 55 55 ALA HB3 H 1 1.697 0.005 . 1 . . . . 55 ALA HB . 15058 1 297 . 1 1 56 56 PHE H H 1 8.607 0.005 . 1 . . . . 56 PHE H . 15058 1 298 . 1 1 56 56 PHE HA H 1 3.849 0.005 . 1 . . . . 56 PHE HA . 15058 1 299 . 1 1 56 56 PHE HB2 H 1 2.845 0.005 . 1 . . . . 56 PHE HB2 . 15058 1 300 . 1 1 56 56 PHE HB3 H 1 2.295 0.005 . 1 . . . . 56 PHE HB3 . 15058 1 301 . 1 1 56 56 PHE HD1 H 1 6.169 0.005 . 3 . . . . 56 PHE HD1 . 15058 1 302 . 1 1 56 56 PHE HE1 H 1 7.110 0.005 . 3 . . . . 56 PHE HE1 . 15058 1 303 . 1 1 57 57 GLY H H 1 7.919 0.005 . 1 . . . . 57 GLY H . 15058 1 304 . 1 1 57 57 GLY HA2 H 1 3.920 0.005 . 1 . . . . 57 GLY HA2 . 15058 1 305 . 1 1 57 57 GLY HA3 H 1 3.639 0.005 . 1 . . . . 57 GLY HA3 . 15058 1 306 . 1 1 58 58 ASN H H 1 7.734 0.005 . 1 . . . . 58 ASN H . 15058 1 307 . 1 1 58 58 ASN HA H 1 5.036 0.005 . 1 . . . . 58 ASN HA . 15058 1 308 . 1 1 58 58 ASN HB2 H 1 3.241 0.005 . 1 . . . . 58 ASN HB2 . 15058 1 309 . 1 1 58 58 ASN HB3 H 1 3.333 0.005 . 1 . . . . 58 ASN HB3 . 15058 1 310 . 1 1 58 58 ASN HD21 H 1 6.739 0.005 . 1 . . . . 58 ASN HD21 . 15058 1 311 . 1 1 58 58 ASN HD22 H 1 6.972 0.005 . 1 . . . . 58 ASN HD22 . 15058 1 312 . 1 1 59 59 SER H H 1 7.640 0.005 . 1 . . . . 59 SER H . 15058 1 313 . 1 1 59 59 SER HA H 1 4.000 0.005 . 1 . . . . 59 SER HA . 15058 1 314 . 1 1 59 59 SER HB2 H 1 4.086 0.005 . 1 . . . . 59 SER HB2 . 15058 1 315 . 1 1 59 59 SER HB3 H 1 4.046 0.005 . 1 . . . . 59 SER HB3 . 15058 1 316 . 1 1 60 60 CYS H H 1 8.296 0.005 . 1 . . . . 60 CYS H . 15058 1 317 . 1 1 60 60 CYS HA H 1 4.496 0.005 . 1 . . . . 60 CYS HA . 15058 1 318 . 1 1 60 60 CYS HB2 H 1 2.630 0.005 . 1 . . . . 60 CYS HB2 . 15058 1 319 . 1 1 60 60 CYS HB3 H 1 2.852 0.005 . 1 . . . . 60 CYS HB3 . 15058 1 320 . 1 1 61 61 LEU H H 1 9.180 0.005 . 1 . . . . 61 LEU H . 15058 1 321 . 1 1 61 61 LEU HA H 1 4.335 0.005 . 1 . . . . 61 LEU HA . 15058 1 322 . 1 1 61 61 LEU HB2 H 1 1.739 0.005 . 2 . . . . 61 LEU HB2 . 15058 1 323 . 1 1 61 61 LEU HG H 1 1.729 0.005 . 1 . . . . 61 LEU HG . 15058 1 324 . 1 1 61 61 LEU HD11 H 1 0.987 0.005 . 1 . . . . 61 LEU HD1 . 15058 1 325 . 1 1 61 61 LEU HD12 H 1 0.987 0.005 . 1 . . . . 61 LEU HD1 . 15058 1 326 . 1 1 61 61 LEU HD13 H 1 0.987 0.005 . 1 . . . . 61 LEU HD1 . 15058 1 327 . 1 1 61 61 LEU HD21 H 1 1.037 0.005 . 1 . . . . 61 LEU HD2 . 15058 1 328 . 1 1 61 61 LEU HD22 H 1 1.037 0.005 . 1 . . . . 61 LEU HD2 . 15058 1 329 . 1 1 61 61 LEU HD23 H 1 1.037 0.005 . 1 . . . . 61 LEU HD2 . 15058 1 330 . 1 1 62 62 ASN H H 1 7.742 0.005 . 1 . . . . 62 ASN H . 15058 1 331 . 1 1 62 62 ASN HA H 1 5.098 0.005 . 1 . . . . 62 ASN HA . 15058 1 332 . 1 1 62 62 ASN HB2 H 1 2.802 0.005 . 1 . . . . 62 ASN HB2 . 15058 1 333 . 1 1 62 62 ASN HB3 H 1 3.026 0.005 . 1 . . . . 62 ASN HB3 . 15058 1 334 . 1 1 62 62 ASN HD21 H 1 6.881 0.005 . 1 . . . . 62 ASN HD21 . 15058 1 335 . 1 1 62 62 ASN HD22 H 1 6.253 0.005 . 1 . . . . 62 ASN HD22 . 15058 1 336 . 1 1 63 63 TRP H H 1 6.789 0.005 . 1 . . . . 63 TRP H . 15058 1 337 . 1 1 63 63 TRP HA H 1 3.881 0.005 . 1 . . . . 63 TRP HA . 15058 1 338 . 1 1 63 63 TRP HB2 H 1 2.926 0.005 . 2 . . . . 63 TRP HB2 . 15058 1 339 . 1 1 63 63 TRP HD1 H 1 7.711 0.005 . 1 . . . . 63 TRP HD1 . 15058 1 340 . 1 1 63 63 TRP HE1 H 1 10.297 0.005 . 1 . . . . 63 TRP HE1 . 15058 1 341 . 1 1 63 63 TRP HE3 H 1 7.675 0.005 . 1 . . . . 63 TRP HE3 . 15058 1 342 . 1 1 63 63 TRP HZ2 H 1 7.304 0.005 . 1 . . . . 63 TRP HZ2 . 15058 1 343 . 1 1 63 63 TRP HZ3 H 1 6.873 0.005 . 1 . . . . 63 TRP HZ3 . 15058 1 344 . 1 1 63 63 TRP HH2 H 1 6.995 0.005 . 1 . . . . 63 TRP HH2 . 15058 1 stop_ save_