################################### # 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 15863 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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-1H NOESY' . . . 15863 1 2 '2D 1H-1H TOCSY' . . . 15863 1 3 '2D DQF-COSY' . . . 15863 1 4 '2D 1H-15N HSQC' . . . 15863 1 5 '3D 1H-15N NOESY' . . . 15863 1 6 '3D HNHA' . . . 15863 1 7 '3D HNHB' . . . 15863 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 3 $SPARKY . . 15863 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.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 1 1 SER HA H 1 4.166 0.001 . 1 . . . . . 1 S HA . 15863 1 2 . 1 1 1 1 SER HB2 H 1 3.974 0.004 . 2 . . . . . 1 S HB2 . 15863 1 3 . 1 1 1 1 SER HB3 H 1 4.026 0.02 . 2 . . . . . 1 S HB3 . 15863 1 4 . 1 1 2 2 ALA H H 1 8.685 0.002 . 1 . . . . . 2 A HN . 15863 1 5 . 1 1 2 2 ALA HA H 1 4.642 0.001 . 1 . . . . . 2 A HA . 15863 1 6 . 1 1 2 2 ALA HB1 H 1 1.300 0.001 . . . . . . . 2 A QB . 15863 1 7 . 1 1 2 2 ALA HB2 H 1 1.300 0.001 . . . . . . . 2 A QB . 15863 1 8 . 1 1 2 2 ALA HB3 H 1 1.300 0.001 . . . . . . . 2 A QB . 15863 1 9 . 1 1 2 2 ALA N N 15 124.387 0.046 . 1 . . . . . 2 A N . 15863 1 10 . 1 1 3 3 THR H H 1 8.211 0.003 . 1 . . . . . 3 T HN . 15863 1 11 . 1 1 3 3 THR HA H 1 4.474 0.001 . 1 . . . . . 3 T HA . 15863 1 12 . 1 1 3 3 THR HB H 1 4.012 0.002 . 1 . . . . . 3 T HB . 15863 1 13 . 1 1 3 3 THR HG21 H 1 1.199 0.001 . . . . . . . 3 T QG2 . 15863 1 14 . 1 1 3 3 THR HG22 H 1 1.199 0.001 . . . . . . . 3 T QG2 . 15863 1 15 . 1 1 3 3 THR HG23 H 1 1.199 0.001 . . . . . . . 3 T QG2 . 15863 1 16 . 1 1 3 3 THR N N 15 116.892 0.011 . 1 . . . . . 3 T N . 15863 1 17 . 1 1 4 4 THR H H 1 8.717 0.005 . 1 . . . . . 4 T HN . 15863 1 18 . 1 1 4 4 THR HA H 1 4.696 0.003 . 1 . . . . . 4 T HA . 15863 1 19 . 1 1 4 4 THR HB H 1 3.920 0.002 . 1 . . . . . 4 T HB . 15863 1 20 . 1 1 4 4 THR HG21 H 1 1.023 0.002 . . . . . . . 4 T QG2 . 15863 1 21 . 1 1 4 4 THR HG22 H 1 1.023 0.002 . . . . . . . 4 T QG2 . 15863 1 22 . 1 1 4 4 THR HG23 H 1 1.023 0.002 . . . . . . . 4 T QG2 . 15863 1 23 . 1 1 4 4 THR N N 15 123.055 0.041 . 1 . . . . . 4 T N . 15863 1 24 . 1 1 5 5 ILE H H 1 8.686 0.003 . 1 . . . . . 5 I HN . 15863 1 25 . 1 1 5 5 ILE HA H 1 3.898 0.002 . 1 . . . . . 5 I HA . 15863 1 26 . 1 1 5 5 ILE HB H 1 2.018 0.002 . 1 . . . . . 5 I HB . 15863 1 27 . 1 1 5 5 ILE HD11 H 1 0.707 0.003 . . . . . . . 5 I QD1 . 15863 1 28 . 1 1 5 5 ILE HD12 H 1 0.707 0.003 . . . . . . . 5 I QD1 . 15863 1 29 . 1 1 5 5 ILE HD13 H 1 0.707 0.003 . . . . . . . 5 I QD1 . 15863 1 30 . 1 1 5 5 ILE HG12 H 1 1.075 0.002 . 2 . . . . . 5 I HG12 . 15863 1 31 . 1 1 5 5 ILE HG13 H 1 1.449 0.002 . 2 . . . . . 5 I HG13 . 15863 1 32 . 1 1 5 5 ILE HG21 H 1 0.679 0.004 . . . . . . . 5 I QG2 . 15863 1 33 . 1 1 5 5 ILE HG22 H 1 0.679 0.004 . . . . . . . 5 I QG2 . 15863 1 34 . 1 1 5 5 ILE HG23 H 1 0.679 0.004 . . . . . . . 5 I QG2 . 15863 1 35 . 1 1 5 5 ILE N N 15 128.650 0.036 . 1 . . . . . 5 I N . 15863 1 36 . 1 1 6 6 GLY H H 1 8.874 0.005 . 1 . . . . . 6 G HN . 15863 1 37 . 1 1 6 6 GLY HA2 H 1 4.005 0.001 . . . . . . . 6 G HA1 . 15863 1 38 . 1 1 6 6 GLY HA3 H 1 4.701 0.002 . 2 . . . . . 6 G HA2 . 15863 1 39 . 1 1 6 6 GLY N N 15 118.125 0.020 . 1 . . . . . 6 G N . 15863 1 40 . 1 1 7 7 PRO HA H 1 4.337 0.003 . 1 . . . . . 7 P HA . 15863 1 41 . 1 1 7 7 PRO HB2 H 1 2.043 0.002 . 2 . . . . . 7 P HB2 . 15863 1 42 . 1 1 7 7 PRO HB3 H 1 2.354 0.001 . 2 . . . . . 7 P HB3 . 15863 1 43 . 1 1 7 7 PRO HD2 H 1 3.546 0.001 . 2 . . . . . 7 P HD2 . 15863 1 44 . 1 1 7 7 PRO HD3 H 1 3.744 0.001 . 2 . . . . . 7 P HD3 . 15863 1 45 . 1 1 7 7 PRO HG2 H 1 2.041 0.02 . 2 . . . . . 7 P QG . 15863 1 46 . 1 1 7 7 PRO HG3 H 1 2.041 0.02 . 2 . . . . . 7 P QG . 15863 1 47 . 1 1 8 8 ASN H H 1 8.612 0.002 . 1 . . . . . 8 N HN . 15863 1 48 . 1 1 8 8 ASN HA H 1 4.899 0.001 . 1 . . . . . 8 N HA . 15863 1 49 . 1 1 8 8 ASN HB2 H 1 2.658 0.002 . 2 . . . . . 8 N HB2 . 15863 1 50 . 1 1 8 8 ASN HB3 H 1 2.929 0.001 . 2 . . . . . 8 N HB3 . 15863 1 51 . 1 1 8 8 ASN HD21 H 1 7.589 0.005 . 2 . . . . . 8 N HD21 . 15863 1 52 . 1 1 8 8 ASN HD22 H 1 6.916 0.003 . 2 . . . . . 8 N HD22 . 15863 1 53 . 1 1 8 8 ASN N N 15 114.705 0.085 . 1 . . . . . 8 N N . 15863 1 54 . 1 1 8 8 ASN ND2 N 15 113.058 0.000 . 1 . . . . . 8 N ND2 . 15863 1 55 . 1 1 9 9 THR H H 1 7.645 0.002 . 1 . . . . . 9 T HN . 15863 1 56 . 1 1 9 9 THR HA H 1 3.823 0.002 . 1 . . . . . 9 T HA . 15863 1 57 . 1 1 9 9 THR HB H 1 3.981 0.001 . 1 . . . . . 9 T HB . 15863 1 58 . 1 1 9 9 THR HG21 H 1 1.269 0.002 . . . . . . . 9 T QG2 . 15863 1 59 . 1 1 9 9 THR HG22 H 1 1.269 0.002 . . . . . . . 9 T QG2 . 15863 1 60 . 1 1 9 9 THR HG23 H 1 1.269 0.002 . . . . . . . 9 T QG2 . 15863 1 61 . 1 1 9 9 THR N N 15 118.742 0.023 . 1 . . . . . 9 T N . 15863 1 62 . 1 1 10 10 CYS H H 1 8.621 0.002 . 1 . . . . . 10 C HN . 15863 1 63 . 1 1 10 10 CYS HA H 1 4.961 0.001 . 1 . . . . . 10 C HA . 15863 1 64 . 1 1 10 10 CYS HB2 H 1 2.696 0.002 . 2 . . . . . 10 C HB2 . 15863 1 65 . 1 1 10 10 CYS HB3 H 1 3.070 0.002 . 2 . . . . . 10 C HB3 . 15863 1 66 . 1 1 10 10 CYS N N 15 118.127 0.018 . 1 . . . . . 10 C N . 15863 1 67 . 1 1 11 11 SER H H 1 8.584 0.003 . 1 . . . . . 11 S HN . 15863 1 68 . 1 1 11 11 SER HA H 1 4.503 0.001 . 1 . . . . . 11 S HA . 15863 1 69 . 1 1 11 11 SER HB2 H 1 3.837 0.02 . 2 . . . . . 11 S HB2 . 15863 1 70 . 1 1 11 11 SER HB3 H 1 3.937 0.001 . 2 . . . . . 11 S HB3 . 15863 1 71 . 1 1 11 11 SER N N 15 117.522 0.022 . 1 . . . . . 11 S N . 15863 1 72 . 1 1 12 12 ILE H H 1 7.463 0.003 . 1 . . . . . 12 I HN . 15863 1 73 . 1 1 12 12 ILE HA H 1 4.240 0.001 . 1 . . . . . 12 I HA . 15863 1 74 . 1 1 12 12 ILE HB H 1 1.399 0.002 . 1 . . . . . 12 I HB . 15863 1 75 . 1 1 12 12 ILE HD11 H 1 0.554 0.001 . . . . . . . 12 I QD1 . 15863 1 76 . 1 1 12 12 ILE HD12 H 1 0.554 0.001 . . . . . . . 12 I QD1 . 15863 1 77 . 1 1 12 12 ILE HD13 H 1 0.554 0.001 . . . . . . . 12 I QD1 . 15863 1 78 . 1 1 12 12 ILE HG12 H 1 0.951 0.001 . 2 . . . . . 12 I HG12 . 15863 1 79 . 1 1 12 12 ILE HG13 H 1 1.346 0.002 . 2 . . . . . 12 I HG13 . 15863 1 80 . 1 1 12 12 ILE HG21 H 1 0.915 0.003 . . . . . . . 12 I QG2 . 15863 1 81 . 1 1 12 12 ILE HG22 H 1 0.915 0.003 . . . . . . . 12 I QG2 . 15863 1 82 . 1 1 12 12 ILE HG23 H 1 0.915 0.003 . . . . . . . 12 I QG2 . 15863 1 83 . 1 1 12 12 ILE N N 15 122.322 0.051 . 1 . . . . . 12 I N . 15863 1 84 . 1 1 13 13 ASP H H 1 8.606 0.008 . 1 . . . . . 13 D HN . 15863 1 85 . 1 1 13 13 ASP HA H 1 4.347 0.002 . 1 . . . . . 13 D HA . 15863 1 86 . 1 1 13 13 ASP HB2 H 1 2.663 0.003 . 2 . . . . . 13 D QB . 15863 1 87 . 1 1 13 13 ASP HB3 H 1 2.663 0.003 . 2 . . . . . 13 D QB . 15863 1 88 . 1 1 13 13 ASP N N 15 126.630 0.023 . 1 . . . . . 13 D N . 15863 1 89 . 1 1 14 14 ASP H H 1 8.544 0.012 . 1 . . . . . 14 D HN . 15863 1 90 . 1 1 14 14 ASP HA H 1 4.399 0.001 . 1 . . . . . 14 D HA . 15863 1 91 . 1 1 14 14 ASP HB2 H 1 2.773 0.005 . 2 . . . . . 14 D HB2 . 15863 1 92 . 1 1 14 14 ASP HB3 H 1 2.904 0.001 . 2 . . . . . 14 D HB3 . 15863 1 93 . 1 1 14 14 ASP N N 15 115.668 0.022 . 1 . . . . . 14 D N . 15863 1 94 . 1 1 15 15 TYR H H 1 8.008 0.002 . 1 . . . . . 15 Y HN . 15863 1 95 . 1 1 15 15 TYR HA H 1 4.577 0.001 . 1 . . . . . 15 Y HA . 15863 1 96 . 1 1 15 15 TYR HB2 H 1 2.460 0.003 . 2 . . . . . 15 Y HB2 . 15863 1 97 . 1 1 15 15 TYR HB3 H 1 3.140 0.002 . 2 . . . . . 15 Y HB3 . 15863 1 98 . 1 1 15 15 TYR HD1 H 1 6.976 0.002 . 3 . . . . . 15 Y QD . 15863 1 99 . 1 1 15 15 TYR HD2 H 1 6.976 0.002 . 3 . . . . . 15 Y QD . 15863 1 100 . 1 1 15 15 TYR HE1 H 1 6.745 0.001 . 3 . . . . . 15 Y QE . 15863 1 101 . 1 1 15 15 TYR HE2 H 1 6.745 0.001 . 3 . . . . . 15 Y QE . 15863 1 102 . 1 1 15 15 TYR N N 15 119.153 0.026 . 1 . . . . . 15 Y N . 15863 1 103 . 1 1 16 16 LYS H H 1 8.694 0.003 . 1 . . . . . 16 K HN . 15863 1 104 . 1 1 16 16 LYS HA H 1 4.841 0.003 . 1 . . . . . 16 K HA . 15863 1 105 . 1 1 16 16 LYS HB2 H 1 1.692 0.002 . 2 . . . . . 16 K HB2 . 15863 1 106 . 1 1 16 16 LYS HB3 H 1 1.804 0.001 . 2 . . . . . 16 K HB3 . 15863 1 107 . 1 1 16 16 LYS HG2 H 1 1.428 0.004 . 2 . . . . . 16 K QG . 15863 1 108 . 1 1 16 16 LYS HG3 H 1 1.428 0.004 . 2 . . . . . 16 K QG . 15863 1 109 . 1 1 16 16 LYS HZ1 H 1 2.981 0.02 . 1 . . . . . 16 K QZ . 15863 1 110 . 1 1 16 16 LYS HZ2 H 1 2.981 0.02 . 1 . . . . . 16 K QZ . 15863 1 111 . 1 1 16 16 LYS HZ3 H 1 2.981 0.02 . 1 . . . . . 16 K QZ . 15863 1 112 . 1 1 16 16 LYS N N 15 120.582 0.006 . 1 . . . . . 16 K N . 15863 1 113 . 1 1 17 17 PRO HA H 1 5.261 0.002 . 1 . . . . . 17 P HA . 15863 1 114 . 1 1 17 17 PRO HB2 H 1 1.675 0.004 . 2 . . . . . 17 P HB2 . 15863 1 115 . 1 1 17 17 PRO HB3 H 1 1.995 0.002 . 2 . . . . . 17 P HB3 . 15863 1 116 . 1 1 17 17 PRO HD2 H 1 3.617 0.003 . 2 . . . . . 17 P HD2 . 15863 1 117 . 1 1 17 17 PRO HD3 H 1 3.706 0.003 . 2 . . . . . 17 P HD3 . 15863 1 118 . 1 1 17 17 PRO HG2 H 1 2.224 0.002 . 2 . . . . . 17 P QG . 15863 1 119 . 1 1 17 17 PRO HG3 H 1 2.224 0.002 . 2 . . . . . 17 P QG . 15863 1 120 . 1 1 18 18 TYR H H 1 9.532 0.002 . 1 . . . . . 18 Y HN . 15863 1 121 . 1 1 18 18 TYR HA H 1 4.713 0.002 . 1 . . . . . 18 Y HA . 15863 1 122 . 1 1 18 18 TYR HB2 H 1 2.624 0.002 . 2 . . . . . 18 Y HB2 . 15863 1 123 . 1 1 18 18 TYR HB3 H 1 2.790 0.002 . 2 . . . . . 18 Y HB3 . 15863 1 124 . 1 1 18 18 TYR HD1 H 1 6.801 0.002 . 3 . . . . . 18 Y QD . 15863 1 125 . 1 1 18 18 TYR HD2 H 1 6.801 0.002 . 3 . . . . . 18 Y QD . 15863 1 126 . 1 1 18 18 TYR HE1 H 1 6.592 0.002 . 3 . . . . . 18 Y QE . 15863 1 127 . 1 1 18 18 TYR HE2 H 1 6.592 0.002 . 3 . . . . . 18 Y QE . 15863 1 128 . 1 1 18 18 TYR N N 15 120.775 0.011 . 1 . . . . . 18 Y N . 15863 1 129 . 1 1 19 19 CYS H H 1 9.130 0.004 . 1 . . . . . 19 C HN . 15863 1 130 . 1 1 19 19 CYS HA H 1 5.441 0.003 . 1 . . . . . 19 C HA . 15863 1 131 . 1 1 19 19 CYS HB2 H 1 2.807 0.001 . 2 . . . . . 19 C HB2 . 15863 1 132 . 1 1 19 19 CYS HB3 H 1 3.111 0.002 . 2 . . . . . 19 C HB3 . 15863 1 133 . 1 1 19 19 CYS N N 15 121.197 0.004 . 1 . . . . . 19 C N . 15863 1 134 . 1 1 20 20 CYS H H 1 9.907 0.003 . 1 . . . . . 20 C HN . 15863 1 135 . 1 1 20 20 CYS HA H 1 5.721 0.004 . 1 . . . . . 20 C HA . 15863 1 136 . 1 1 20 20 CYS HB2 H 1 2.730 0.002 . 2 . . . . . 20 C HB2 . 15863 1 137 . 1 1 20 20 CYS HB3 H 1 2.842 0.008 . 2 . . . . . 20 C HB3 . 15863 1 138 . 1 1 20 20 CYS N N 15 127.995 0.012 . 1 . . . . . 20 C N . 15863 1 139 . 1 1 21 21 GLN H H 1 9.102 0.004 . 1 . . . . . 21 Q HN . 15863 1 140 . 1 1 21 21 GLN HA H 1 4.806 0.003 . 1 . . . . . 21 Q HA . 15863 1 141 . 1 1 21 21 GLN HB2 H 1 2.074 0.002 . 2 . . . . . 21 Q HB2 . 15863 1 142 . 1 1 21 21 GLN HB3 H 1 2.183 0.002 . 2 . . . . . 21 Q HB3 . 15863 1 143 . 1 1 21 21 GLN HE21 H 1 7.518 0.001 . 2 . . . . . 21 Q HE21 . 15863 1 144 . 1 1 21 21 GLN HE22 H 1 6.871 0.003 . 2 . . . . . 21 Q HE22 . 15863 1 145 . 1 1 21 21 GLN HG2 H 1 2.452 0.005 . 2 . . . . . 21 Q QG . 15863 1 146 . 1 1 21 21 GLN HG3 H 1 2.452 0.005 . 2 . . . . . 21 Q QG . 15863 1 147 . 1 1 21 21 GLN N N 15 119.912 0.034 . 1 . . . . . 21 Q N . 15863 1 148 . 1 1 21 21 GLN NE2 N 15 112.061 0.006 . 1 . . . . . 21 Q NE2 . 15863 1 149 . 1 1 22 22 SER H H 1 8.688 0.002 . 1 . . . . . 22 S HN . 15863 1 150 . 1 1 22 22 SER HA H 1 4.485 0.001 . 1 . . . . . 22 S HA . 15863 1 151 . 1 1 22 22 SER HB2 H 1 3.885 0.005 . 2 . . . . . 22 S QB . 15863 1 152 . 1 1 22 22 SER HB3 H 1 3.885 0.005 . 2 . . . . . 22 S QB . 15863 1 153 . 1 1 22 22 SER N N 15 118.330 0.017 . 1 . . . . . 22 S N . 15863 1 154 . 1 1 23 23 MET H H 1 8.628 0.004 . 1 . . . . . 23 M HN . 15863 1 155 . 1 1 23 23 MET HA H 1 4.712 0.001 . 1 . . . . . 23 M HA . 15863 1 156 . 1 1 23 23 MET HB2 H 1 1.892 0.002 . 2 . . . . . 23 M HB2 . 15863 1 157 . 1 1 23 23 MET HB3 H 1 2.060 0.002 . 2 . . . . . 23 M HB3 . 15863 1 158 . 1 1 23 23 MET HE1 H 1 2.043 0.001 . . . . . . . 23 M QE . 15863 1 159 . 1 1 23 23 MET HE2 H 1 2.043 0.001 . . . . . . . 23 M QE . 15863 1 160 . 1 1 23 23 MET HE3 H 1 2.043 0.001 . . . . . . . 23 M QE . 15863 1 161 . 1 1 23 23 MET HG2 H 1 2.465 0.002 . 2 . . . . . 23 M QG . 15863 1 162 . 1 1 23 23 MET HG3 H 1 2.465 0.002 . 2 . . . . . 23 M QG . 15863 1 163 . 1 1 23 23 MET N N 15 123.087 0.034 . 1 . . . . . 23 M N . 15863 1 164 . 1 1 24 24 SER H H 1 8.588 0.002 . 1 . . . . . 24 S HN . 15863 1 165 . 1 1 24 24 SER HA H 1 4.279 0.002 . 1 . . . . . 24 S HA . 15863 1 166 . 1 1 24 24 SER HB2 H 1 3.865 0.001 . 2 . . . . . 24 S QB . 15863 1 167 . 1 1 24 24 SER HB3 H 1 3.865 0.001 . 2 . . . . . 24 S QB . 15863 1 168 . 1 1 24 24 SER N N 15 118.330 0.017 . 1 . . . . . 24 S N . 15863 1 169 . 1 1 25 25 GLY H H 1 8.816 0.003 . 1 . . . . . 25 G HN . 15863 1 170 . 1 1 25 25 GLY HA2 H 1 3.831 0.001 . . . . . . . 25 G HA1 . 15863 1 171 . 1 1 25 25 GLY HA3 H 1 4.106 0.001 . 2 . . . . . 25 G HA2 . 15863 1 172 . 1 1 25 25 GLY N N 15 113.222 0.004 . 1 . . . . . 25 G N . 15863 1 173 . 1 1 26 26 SER H H 1 7.875 0.002 . 1 . . . . . 26 S HN . 15863 1 174 . 1 1 26 26 SER HA H 1 4.678 0.001 . 1 . . . . . 26 S HA . 15863 1 175 . 1 1 26 26 SER HB2 H 1 3.724 0.001 . 2 . . . . . 26 S HB2 . 15863 1 176 . 1 1 26 26 SER HB3 H 1 3.905 0.002 . 2 . . . . . 26 S HB3 . 15863 1 177 . 1 1 26 26 SER N N 15 113.637 0.025 . 1 . . . . . 26 S N . 15863 1 178 . 1 1 27 27 ALA H H 1 8.564 0.005 . 1 . . . . . 27 A HN . 15863 1 179 . 1 1 27 27 ALA HA H 1 4.564 0.002 . 1 . . . . . 27 A HA . 15863 1 180 . 1 1 27 27 ALA HB1 H 1 1.461 0.002 . . . . . . . 27 A QB . 15863 1 181 . 1 1 27 27 ALA HB2 H 1 1.461 0.002 . . . . . . . 27 A QB . 15863 1 182 . 1 1 27 27 ALA HB3 H 1 1.461 0.002 . . . . . . . 27 A QB . 15863 1 183 . 1 1 27 27 ALA N N 15 125.607 0.032 . 1 . . . . . 27 A N . 15863 1 184 . 1 1 28 28 SER H H 1 8.178 0.004 . 1 . . . . . 28 S HN . 15863 1 185 . 1 1 28 28 SER HA H 1 4.739 0.003 . 1 . . . . . 28 S HA . 15863 1 186 . 1 1 28 28 SER HB2 H 1 3.619 0.002 . 2 . . . . . 28 S HB2 . 15863 1 187 . 1 1 28 28 SER HB3 H 1 3.708 0.002 . 2 . . . . . 28 S HB3 . 15863 1 188 . 1 1 28 28 SER N N 15 114.842 0.017 . 1 . . . . . 28 S N . 15863 1 189 . 1 1 29 29 LEU H H 1 8.956 0.005 . 1 . . . . . 29 L HN . 15863 1 190 . 1 1 29 29 LEU HA H 1 4.733 0.003 . 1 . . . . . 29 L HA . 15863 1 191 . 1 1 29 29 LEU HB2 H 1 1.178 0.004 . 2 . . . . . 29 L HB2 . 15863 1 192 . 1 1 29 29 LEU HB3 H 1 1.752 0.004 . 2 . . . . . 29 L HB3 . 15863 1 193 . 1 1 29 29 LEU HD11 H 1 0.739 0.004 . . . . . . . 29 L QD1 . 15863 1 194 . 1 1 29 29 LEU HD12 H 1 0.739 0.004 . . . . . . . 29 L QD1 . 15863 1 195 . 1 1 29 29 LEU HD13 H 1 0.739 0.004 . . . . . . . 29 L QD1 . 15863 1 196 . 1 1 29 29 LEU HD21 H 1 0.772 0.02 . . . . . . . 29 L QD2 . 15863 1 197 . 1 1 29 29 LEU HD22 H 1 0.772 0.02 . . . . . . . 29 L QD2 . 15863 1 198 . 1 1 29 29 LEU HD23 H 1 0.772 0.02 . . . . . . . 29 L QD2 . 15863 1 199 . 1 1 29 29 LEU HG H 1 1.543 0.003 . 1 . . . . . 29 L HG . 15863 1 200 . 1 1 29 29 LEU N N 15 123.817 0.031 . 1 . . . . . 29 L N . 15863 1 201 . 1 1 30 30 GLY H H 1 8.736 0.006 . 1 . . . . . 30 G HN . 15863 1 202 . 1 1 30 30 GLY HA2 H 1 3.446 0.002 . . . . . . . 30 G HA1 . 15863 1 203 . 1 1 30 30 GLY HA3 H 1 4.610 0.003 . 2 . . . . . 30 G HA2 . 15863 1 204 . 1 1 30 30 GLY N N 15 110.177 0.019 . 1 . . . . . 30 G N . 15863 1 205 . 1 1 31 31 CYS H H 1 9.184 0.002 . 1 . . . . . 31 C HN . 15863 1 206 . 1 1 31 31 CYS HA H 1 5.691 0.005 . 1 . . . . . 31 C HA . 15863 1 207 . 1 1 31 31 CYS HB2 H 1 2.617 0.004 . 2 . . . . . 31 C HB2 . 15863 1 208 . 1 1 31 31 CYS HB3 H 1 2.884 0.001 . 2 . . . . . 31 C HB3 . 15863 1 209 . 1 1 31 31 CYS N N 15 124.934 0.024 . 1 . . . . . 31 C N . 15863 1 210 . 1 1 32 32 VAL H H 1 8.395 0.002 . 1 . . . . . 32 V HN . 15863 1 211 . 1 1 32 32 VAL HA H 1 4.946 0.002 . 1 . . . . . 32 V HA . 15863 1 212 . 1 1 32 32 VAL HB H 1 2.236 0.002 . 1 . . . . . 32 V HB . 15863 1 213 . 1 1 32 32 VAL HG11 H 1 1.004 0.002 . . . . . . . 32 V QG1 . 15863 1 214 . 1 1 32 32 VAL HG12 H 1 1.004 0.002 . . . . . . . 32 V QG1 . 15863 1 215 . 1 1 32 32 VAL HG13 H 1 1.004 0.002 . . . . . . . 32 V QG1 . 15863 1 216 . 1 1 32 32 VAL HG21 H 1 1.115 0.002 . . . . . . . 32 V QG2 . 15863 1 217 . 1 1 32 32 VAL HG22 H 1 1.115 0.002 . . . . . . . 32 V QG2 . 15863 1 218 . 1 1 32 32 VAL HG23 H 1 1.115 0.002 . . . . . . . 32 V QG2 . 15863 1 219 . 1 1 32 32 VAL N N 15 114.984 0.033 . 1 . . . . . 32 V N . 15863 1 220 . 1 1 33 33 VAL H H 1 8.731 0.001 . 1 . . . . . 33 V HN . 15863 1 221 . 1 1 33 33 VAL HA H 1 3.467 0.003 . 1 . . . . . 33 V HA . 15863 1 222 . 1 1 33 33 VAL HB H 1 1.913 0.001 . 1 . . . . . 33 V HB . 15863 1 223 . 1 1 33 33 VAL HG11 H 1 0.825 0.002 . . . . . . . 33 V QG1 . 15863 1 224 . 1 1 33 33 VAL HG12 H 1 0.825 0.002 . . . . . . . 33 V QG1 . 15863 1 225 . 1 1 33 33 VAL HG13 H 1 0.825 0.002 . . . . . . . 33 V QG1 . 15863 1 226 . 1 1 33 33 VAL HG21 H 1 0.996 0.001 . . . . . . . 33 V QG2 . 15863 1 227 . 1 1 33 33 VAL HG22 H 1 0.996 0.001 . . . . . . . 33 V QG2 . 15863 1 228 . 1 1 33 33 VAL HG23 H 1 0.996 0.001 . . . . . . . 33 V QG2 . 15863 1 229 . 1 1 33 33 VAL N N 15 124.803 0.024 . 1 . . . . . 33 V N . 15863 1 230 . 1 1 34 34 GLY H H 1 8.096 0.003 . 1 . . . . . 34 G HN . 15863 1 231 . 1 1 34 34 GLY HA2 H 1 2.819 0.002 . . . . . . . 34 G HA1 . 15863 1 232 . 1 1 34 34 GLY HA3 H 1 4.078 0.002 . 2 . . . . . 34 G HA2 . 15863 1 233 . 1 1 34 34 GLY N N 15 115.889 0.016 . 1 . . . . . 34 G N . 15863 1 234 . 1 1 35 35 VAL H H 1 7.806 0.002 . 1 . . . . . 35 V HN . 15863 1 235 . 1 1 35 35 VAL HA H 1 3.997 0.001 . 1 . . . . . 35 V HA . 15863 1 236 . 1 1 35 35 VAL HB H 1 1.896 0.002 . 1 . . . . . 35 V HB . 15863 1 237 . 1 1 35 35 VAL HG11 H 1 0.931 0.003 . . . . . . . 35 V QQG . 15863 1 238 . 1 1 35 35 VAL HG12 H 1 0.931 0.003 . . . . . . . 35 V QQG . 15863 1 239 . 1 1 35 35 VAL HG13 H 1 0.931 0.003 . . . . . . . 35 V QQG . 15863 1 240 . 1 1 35 35 VAL HG21 H 1 0.931 0.003 . . . . . . . 35 V QQG . 15863 1 241 . 1 1 35 35 VAL HG22 H 1 0.931 0.003 . . . . . . . 35 V QQG . 15863 1 242 . 1 1 35 35 VAL HG23 H 1 0.931 0.003 . . . . . . . 35 V QQG . 15863 1 243 . 1 1 35 35 VAL N N 15 125.851 0.023 . 1 . . . . . 35 V N . 15863 1 244 . 1 1 36 36 ILE H H 1 8.702 0.004 . 1 . . . . . 36 I HN . 15863 1 245 . 1 1 36 36 ILE HA H 1 3.436 0.002 . 1 . . . . . 36 I HA . 15863 1 246 . 1 1 36 36 ILE HB H 1 1.804 0.002 . 1 . . . . . 36 I HB . 15863 1 247 . 1 1 36 36 ILE HD11 H 1 0.809 0.002 . . . . . . . 36 I QD1 . 15863 1 248 . 1 1 36 36 ILE HD12 H 1 0.809 0.002 . . . . . . . 36 I QD1 . 15863 1 249 . 1 1 36 36 ILE HD13 H 1 0.809 0.002 . . . . . . . 36 I QD1 . 15863 1 250 . 1 1 36 36 ILE HG12 H 1 1.063 0.001 . 2 . . . . . 36 I HG12 . 15863 1 251 . 1 1 36 36 ILE HG13 H 1 1.571 0.002 . 2 . . . . . 36 I HG13 . 15863 1 252 . 1 1 36 36 ILE HG21 H 1 0.867 0.003 . . . . . . . 36 I QG2 . 15863 1 253 . 1 1 36 36 ILE HG22 H 1 0.867 0.003 . . . . . . . 36 I QG2 . 15863 1 254 . 1 1 36 36 ILE HG23 H 1 0.867 0.003 . . . . . . . 36 I QG2 . 15863 1 255 . 1 1 36 36 ILE N N 15 129.059 0.037 . 1 . . . . . 36 I N . 15863 1 256 . 1 1 37 37 GLY H H 1 9.119 0.001 . 1 . . . . . 37 G HN . 15863 1 257 . 1 1 37 37 GLY HA2 H 1 3.590 0.003 . . . . . . . 37 G HA1 . 15863 1 258 . 1 1 37 37 GLY HA3 H 1 4.408 0.001 . 2 . . . . . 37 G HA2 . 15863 1 259 . 1 1 37 37 GLY N N 15 116.597 0.019 . 1 . . . . . 37 G N . 15863 1 260 . 1 1 38 38 SER H H 1 8.234 0.001 . 1 . . . . . 38 S HN . 15863 1 261 . 1 1 38 38 SER HA H 1 4.559 0.002 . 1 . . . . . 38 S HA . 15863 1 262 . 1 1 38 38 SER HB2 H 1 3.876 0.003 . 2 . . . . . 38 S HB2 . 15863 1 263 . 1 1 38 38 SER HB3 H 1 4.011 0.02 . 2 . . . . . 38 S HB3 . 15863 1 264 . 1 1 38 38 SER N N 15 116.891 0.009 . 1 . . . . . 38 S N . 15863 1 265 . 1 1 39 39 GLN H H 1 8.500 0.001 . 1 . . . . . 39 Q HN . 15863 1 266 . 1 1 39 39 GLN HA H 1 4.878 0.001 . 1 . . . . . 39 Q HA . 15863 1 267 . 1 1 39 39 GLN HB2 H 1 1.783 0.002 . 2 . . . . . 39 Q HB2 . 15863 1 268 . 1 1 39 39 GLN HB3 H 1 1.947 0.001 . 2 . . . . . 39 Q HB3 . 15863 1 269 . 1 1 39 39 GLN HE21 H 1 7.401 0.002 . 2 . . . . . 39 Q HE21 . 15863 1 270 . 1 1 39 39 GLN HE22 H 1 6.772 0.004 . 2 . . . . . 39 Q HE22 . 15863 1 271 . 1 1 39 39 GLN HG2 H 1 2.225 0.002 . 2 . . . . . 39 Q HG2 . 15863 1 272 . 1 1 39 39 GLN HG3 H 1 2.311 0.001 . 2 . . . . . 39 Q HG3 . 15863 1 273 . 1 1 39 39 GLN N N 15 117.921 0.019 . 1 . . . . . 39 Q N . 15863 1 274 . 1 1 39 39 GLN NE2 N 15 112.532 0.006 . 1 . . . . . 39 Q NE2 . 15863 1 275 . 1 1 40 40 CYS H H 1 9.055 0.004 . 1 . . . . . 40 C HN . 15863 1 276 . 1 1 40 40 CYS HA H 1 5.078 0.004 . 1 . . . . . 40 C HA . 15863 1 277 . 1 1 40 40 CYS HB2 H 1 2.625 0.003 . 2 . . . . . 40 C HB2 . 15863 1 278 . 1 1 40 40 CYS HB3 H 1 3.006 0.004 . 2 . . . . . 40 C HB3 . 15863 1 279 . 1 1 40 40 CYS N N 15 121.337 0.036 . 1 . . . . . 40 C N . 15863 1 280 . 1 1 41 41 GLY H H 1 9.464 0.003 . 1 . . . . . 41 G HN . 15863 1 281 . 1 1 41 41 GLY HA2 H 1 3.745 0.004 . . . . . . . 41 G HA1 . 15863 1 282 . 1 1 41 41 GLY HA3 H 1 4.424 0.003 . 2 . . . . . 41 G HA2 . 15863 1 283 . 1 1 41 41 GLY N N 15 119.135 0.008 . 1 . . . . . 41 G N . 15863 1 284 . 1 1 42 42 ALA H H 1 7.209 0.003 . 1 . . . . . 42 A HN . 15863 1 285 . 1 1 42 42 ALA HA H 1 4.738 0.001 . 1 . . . . . 42 A HA . 15863 1 286 . 1 1 42 42 ALA HB1 H 1 1.405 0.002 . . . . . . . 42 A QB . 15863 1 287 . 1 1 42 42 ALA HB2 H 1 1.405 0.002 . . . . . . . 42 A QB . 15863 1 288 . 1 1 42 42 ALA HB3 H 1 1.405 0.002 . . . . . . . 42 A QB . 15863 1 289 . 1 1 42 42 ALA N N 15 126.591 0.048 . 1 . . . . . 42 A N . 15863 1 290 . 1 1 43 43 SER H H 1 8.470 0.005 . 1 . . . . . 43 S HN . 15863 1 291 . 1 1 43 43 SER HA H 1 4.827 0.003 . 1 . . . . . 43 S HA . 15863 1 292 . 1 1 43 43 SER HB2 H 1 3.751 0.002 . 2 . . . . . 43 S QB . 15863 1 293 . 1 1 43 43 SER HB3 H 1 3.751 0.002 . 2 . . . . . 43 S QB . 15863 1 294 . 1 1 43 43 SER N N 15 118.678 0.050 . 1 . . . . . 43 S N . 15863 1 295 . 1 1 44 44 VAL H H 1 8.900 0.003 . 1 . . . . . 44 V HN . 15863 1 296 . 1 1 44 44 VAL HA H 1 4.723 0.001 . 1 . . . . . 44 V HA . 15863 1 297 . 1 1 44 44 VAL HB H 1 2.042 0.002 . 1 . . . . . 44 V HB . 15863 1 298 . 1 1 44 44 VAL HG11 H 1 0.828 0.002 . . . . . . . 44 V QG1 . 15863 1 299 . 1 1 44 44 VAL HG12 H 1 0.828 0.002 . . . . . . . 44 V QG1 . 15863 1 300 . 1 1 44 44 VAL HG13 H 1 0.828 0.002 . . . . . . . 44 V QG1 . 15863 1 301 . 1 1 44 44 VAL HG21 H 1 0.900 0.002 . . . . . . . 44 V QG2 . 15863 1 302 . 1 1 44 44 VAL HG22 H 1 0.900 0.002 . . . . . . . 44 V QG2 . 15863 1 303 . 1 1 44 44 VAL HG23 H 1 0.900 0.002 . . . . . . . 44 V QG2 . 15863 1 304 . 1 1 44 44 VAL N N 15 128.547 0.058 . 1 . . . . . 44 V N . 15863 1 305 . 1 1 45 45 LYS H H 1 9.122 0.003 . 1 . . . . . 45 K HN . 15863 1 306 . 1 1 45 45 LYS HA H 1 4.906 0.002 . 1 . . . . . 45 K HA . 15863 1 307 . 1 1 45 45 LYS HB2 H 1 1.747 0.002 . 2 . . . . . 45 K QB . 15863 1 308 . 1 1 45 45 LYS HB3 H 1 1.747 0.002 . 2 . . . . . 45 K QB . 15863 1 309 . 1 1 45 45 LYS HD2 H 1 1.595 0.003 . 2 . . . . . 45 K QD . 15863 1 310 . 1 1 45 45 LYS HD3 H 1 1.595 0.003 . 2 . . . . . 45 K QD . 15863 1 311 . 1 1 45 45 LYS HE2 H 1 2.930 0.001 . 2 . . . . . 45 K QE . 15863 1 312 . 1 1 45 45 LYS HE3 H 1 2.930 0.001 . 2 . . . . . 45 K QE . 15863 1 313 . 1 1 45 45 LYS HG2 H 1 1.246 0.003 . 2 . . . . . 45 K QG . 15863 1 314 . 1 1 45 45 LYS HG3 H 1 1.246 0.003 . 2 . . . . . 45 K QG . 15863 1 315 . 1 1 45 45 LYS N N 15 128.656 0.037 . 1 . . . . . 45 K N . 15863 1 316 . 1 1 46 46 CYS H H 1 9.090 0.004 . 1 . . . . . 46 C HN . 15863 1 317 . 1 1 46 46 CYS HA H 1 5.565 0.002 . 1 . . . . . 46 C HA . 15863 1 318 . 1 1 46 46 CYS HB2 H 1 2.799 0.001 . 2 . . . . . 46 C HB2 . 15863 1 319 . 1 1 46 46 CYS HB3 H 1 2.934 0.001 . 2 . . . . . 46 C HB3 . 15863 1 320 . 1 1 46 46 CYS N N 15 121.451 0.032 . 1 . . . . . 46 C N . 15863 1 321 . 1 1 47 47 CYS H H 1 9.615 0.008 . 1 . . . . . 47 C HN . 15863 1 322 . 1 1 47 47 CYS HA H 1 5.752 0.001 . 1 . . . . . 47 C HA . 15863 1 323 . 1 1 47 47 CYS HB2 H 1 2.605 0.002 . 2 . . . . . 47 C HB2 . 15863 1 324 . 1 1 47 47 CYS HB3 H 1 3.048 0.004 . 2 . . . . . 47 C HB3 . 15863 1 325 . 1 1 47 47 CYS N N 15 121.190 0.007 . 1 . . . . . 47 C N . 15863 1 326 . 1 1 48 48 LYS H H 1 8.344 0.007 . 1 . . . . . 48 K HN . 15863 1 327 . 1 1 48 48 LYS HA H 1 4.169 0.002 . 1 . . . . . 48 K HA . 15863 1 328 . 1 1 48 48 LYS HB2 H 1 1.075 0.002 . 2 . . . . . 48 K HB2 . 15863 1 329 . 1 1 48 48 LYS HB3 H 1 1.441 0.002 . 2 . . . . . 48 K HB3 . 15863 1 330 . 1 1 48 48 LYS HD2 H 1 1.436 0.001 . 2 . . . . . 48 K QD . 15863 1 331 . 1 1 48 48 LYS HD3 H 1 1.436 0.001 . 2 . . . . . 48 K QD . 15863 1 332 . 1 1 48 48 LYS HE2 H 1 2.840 0.02 . 2 . . . . . 48 K HE2 . 15863 1 333 . 1 1 48 48 LYS HE3 H 1 3.274 0.02 . 2 . . . . . 48 K HE3 . 15863 1 334 . 1 1 48 48 LYS HG2 H 1 1.439 0.02 . 2 . . . . . 48 K QG . 15863 1 335 . 1 1 48 48 LYS HG3 H 1 1.439 0.02 . 2 . . . . . 48 K QG . 15863 1 336 . 1 1 48 48 LYS N N 15 125.006 0.031 . 1 . . . . . 48 K N . 15863 1 337 . 1 1 49 49 ASP H H 1 8.427 0.002 . 1 . . . . . 49 D HN . 15863 1 338 . 1 1 49 49 ASP HA H 1 4.567 0.003 . 1 . . . . . 49 D HA . 15863 1 339 . 1 1 49 49 ASP HB2 H 1 2.455 0.001 . 2 . . . . . 49 D HB2 . 15863 1 340 . 1 1 49 49 ASP HB3 H 1 2.617 0.001 . 2 . . . . . 49 D HB3 . 15863 1 341 . 1 1 49 49 ASP N N 15 122.456 0.038 . 1 . . . . . 49 D N . 15863 1 342 . 1 1 50 50 ASP H H 1 8.330 0.004 . 1 . . . . . 50 D HN . 15863 1 343 . 1 1 50 50 ASP HA H 1 4.697 0.001 . 1 . . . . . 50 D HA . 15863 1 344 . 1 1 50 50 ASP HB2 H 1 2.596 0.001 . 2 . . . . . 50 D HB2 . 15863 1 345 . 1 1 50 50 ASP HB3 H 1 2.705 0.001 . 2 . . . . . 50 D HB3 . 15863 1 346 . 1 1 50 50 ASP N N 15 122.871 0.032 . 1 . . . . . 50 D N . 15863 1 347 . 1 1 51 51 VAL H H 1 8.124 0.033 . 1 . . . . . 51 V HN . 15863 1 348 . 1 1 51 51 VAL HA H 1 4.193 0.001 . 1 . . . . . 51 V HA . 15863 1 349 . 1 1 51 51 VAL HB H 1 2.185 0.003 . 1 . . . . . 51 V HB . 15863 1 350 . 1 1 51 51 VAL HG11 H 1 0.923 0.003 . . . . . . . 51 V QQG . 15863 1 351 . 1 1 51 51 VAL HG12 H 1 0.923 0.003 . . . . . . . 51 V QQG . 15863 1 352 . 1 1 51 51 VAL HG13 H 1 0.923 0.003 . . . . . . . 51 V QQG . 15863 1 353 . 1 1 51 51 VAL HG21 H 1 0.923 0.003 . . . . . . . 51 V QQG . 15863 1 354 . 1 1 51 51 VAL HG22 H 1 0.923 0.003 . . . . . . . 51 V QQG . 15863 1 355 . 1 1 51 51 VAL HG23 H 1 0.923 0.003 . . . . . . . 51 V QQG . 15863 1 356 . 1 1 51 51 VAL N N 15 119.630 0.179 . 1 . . . . . 51 V N . 15863 1 357 . 1 1 52 52 THR H H 1 8.316 0.011 . 1 . . . . . 52 T HN . 15863 1 358 . 1 1 52 52 THR HA H 1 4.307 0.001 . 1 . . . . . 52 T HA . 15863 1 359 . 1 1 52 52 THR HB H 1 4.209 0.004 . 1 . . . . . 52 T HB . 15863 1 360 . 1 1 52 52 THR HG21 H 1 1.207 0.002 . . . . . . . 52 T QG2 . 15863 1 361 . 1 1 52 52 THR HG22 H 1 1.207 0.002 . . . . . . . 52 T QG2 . 15863 1 362 . 1 1 52 52 THR HG23 H 1 1.207 0.002 . . . . . . . 52 T QG2 . 15863 1 363 . 1 1 52 52 THR N N 15 116.889 0.010 . 1 . . . . . 52 T N . 15863 1 364 . 1 1 53 53 ASN H H 1 8.332 0.011 . 1 . . . . . 53 N HN . 15863 1 365 . 1 1 53 53 ASN HA H 1 4.843 0.002 . 1 . . . . . 53 N HA . 15863 1 366 . 1 1 53 53 ASN HB2 H 1 2.792 0.002 . 2 . . . . . 53 N HB2 . 15863 1 367 . 1 1 53 53 ASN HB3 H 1 2.897 0.002 . 2 . . . . . 53 N HB3 . 15863 1 368 . 1 1 53 53 ASN HD21 H 1 7.709 0.020 . 2 . . . . . 53 N HD21 . 15863 1 369 . 1 1 53 53 ASN HD22 H 1 6.921 0.004 . 2 . . . . . 53 N HD22 . 15863 1 370 . 1 1 53 53 ASN N N 15 121.822 0.006 . 1 . . . . . 53 N N . 15863 1 371 . 1 1 53 53 ASN ND2 N 15 113.024 0.001 . 1 . . . . . 53 N ND2 . 15863 1 372 . 1 1 54 54 THR H H 1 8.175 0.006 . 1 . . . . . 54 T HN . 15863 1 373 . 1 1 54 54 THR HA H 1 4.358 0.001 . 1 . . . . . 54 T HA . 15863 1 374 . 1 1 54 54 THR HB H 1 4.323 0.02 . 1 . . . . . 54 T HB . 15863 1 375 . 1 1 54 54 THR HG21 H 1 1.214 0.001 . . . . . . . 54 T QG2 . 15863 1 376 . 1 1 54 54 THR HG22 H 1 1.214 0.001 . . . . . . . 54 T QG2 . 15863 1 377 . 1 1 54 54 THR HG23 H 1 1.214 0.001 . . . . . . . 54 T QG2 . 15863 1 378 . 1 1 54 54 THR N N 15 114.242 0.007 . 1 . . . . . 54 T N . 15863 1 379 . 1 1 55 55 GLY H H 1 8.495 0.003 . 1 . . . . . 55 G HN . 15863 1 380 . 1 1 55 55 GLY HA2 H 1 3.898 0.005 . . . . . . . 55 G HA1 . 15863 1 381 . 1 1 55 55 GLY HA3 H 1 4.087 0.001 . 2 . . . . . 55 G HA2 . 15863 1 382 . 1 1 55 55 GLY N N 15 111.180 0.013 . 1 . . . . . 55 G N . 15863 1 383 . 1 1 56 56 ASN H H 1 8.168 0.001 . 1 . . . . . 56 N HN . 15863 1 384 . 1 1 56 56 ASN HA H 1 4.831 0.003 . 1 . . . . . 56 N HA . 15863 1 385 . 1 1 56 56 ASN HB2 H 1 2.789 0.02 . 2 . . . . . 56 N HB2 . 15863 1 386 . 1 1 56 56 ASN HB3 H 1 2.885 0.001 . 2 . . . . . 56 N HB3 . 15863 1 387 . 1 1 56 56 ASN HD21 H 1 7.563 0.001 . 2 . . . . . 56 N HD21 . 15863 1 388 . 1 1 56 56 ASN HD22 H 1 6.930 0.002 . 2 . . . . . 56 N HD22 . 15863 1 389 . 1 1 56 56 ASN N N 15 119.347 0.023 . 1 . . . . . 56 N N . 15863 1 390 . 1 1 56 56 ASN ND2 N 15 112.804 0.000 . 1 . . . . . 56 N ND2 . 15863 1 391 . 1 1 57 57 SER H H 1 8.373 0.008 . 1 . . . . . 57 S HN . 15863 1 392 . 1 1 57 57 SER HA H 1 4.403 0.001 . 1 . . . . . 57 S HA . 15863 1 393 . 1 1 57 57 SER HB2 H 1 3.924 0.001 . 2 . . . . . 57 S QB . 15863 1 394 . 1 1 57 57 SER HB3 H 1 3.924 0.001 . 2 . . . . . 57 S QB . 15863 1 395 . 1 1 57 57 SER N N 15 115.888 0.021 . 1 . . . . . 57 S N . 15863 1 396 . 1 1 58 58 PHE H H 1 7.914 0.003 . 1 . . . . . 58 F HN . 15863 1 397 . 1 1 58 58 PHE HA H 1 4.959 0.004 . 1 . . . . . 58 F HA . 15863 1 398 . 1 1 58 58 PHE HB2 H 1 2.975 0.002 . 2 . . . . . 58 F QB . 15863 1 399 . 1 1 58 58 PHE HB3 H 1 2.975 0.002 . 2 . . . . . 58 F QB . 15863 1 400 . 1 1 58 58 PHE HD1 H 1 7.103 0.003 . 3 . . . . . 58 F QD . 15863 1 401 . 1 1 58 58 PHE HD2 H 1 7.103 0.003 . 3 . . . . . 58 F QD . 15863 1 402 . 1 1 58 58 PHE HE1 H 1 7.200 0.001 . 3 . . . . . 58 F QE . 15863 1 403 . 1 1 58 58 PHE HE2 H 1 7.200 0.001 . 3 . . . . . 58 F QE . 15863 1 404 . 1 1 58 58 PHE N N 15 121.519 0.064 . 1 . . . . . 58 F N . 15863 1 405 . 1 1 59 59 LEU H H 1 8.949 0.003 . 1 . . . . . 59 L HN . 15863 1 406 . 1 1 59 59 LEU HA H 1 4.481 0.002 . 1 . . . . . 59 L HA . 15863 1 407 . 1 1 59 59 LEU HB2 H 1 1.278 0.002 . 2 . . . . . 59 L HB2 . 15863 1 408 . 1 1 59 59 LEU HB3 H 1 1.320 0.001 . 2 . . . . . 59 L HB3 . 15863 1 409 . 1 1 59 59 LEU HD11 H 1 0.786 0.001 . . . . . . . 59 L QD1 . 15863 1 410 . 1 1 59 59 LEU HD12 H 1 0.786 0.001 . . . . . . . 59 L QD1 . 15863 1 411 . 1 1 59 59 LEU HD13 H 1 0.786 0.001 . . . . . . . 59 L QD1 . 15863 1 412 . 1 1 59 59 LEU HD21 H 1 0.831 0.004 . . . . . . . 59 L QD2 . 15863 1 413 . 1 1 59 59 LEU HD22 H 1 0.831 0.004 . . . . . . . 59 L QD2 . 15863 1 414 . 1 1 59 59 LEU HD23 H 1 0.831 0.004 . . . . . . . 59 L QD2 . 15863 1 415 . 1 1 59 59 LEU HG H 1 1.540 0.001 . 1 . . . . . 59 L HG . 15863 1 416 . 1 1 59 59 LEU N N 15 127.070 0.079 . 1 . . . . . 59 L N . 15863 1 417 . 1 1 60 60 ILE H H 1 8.172 0.005 . 1 . . . . . 60 I HN . 15863 1 418 . 1 1 60 60 ILE HA H 1 4.840 0.001 . 1 . . . . . 60 I HA . 15863 1 419 . 1 1 60 60 ILE HB H 1 1.768 0.002 . 1 . . . . . 60 I HB . 15863 1 420 . 1 1 60 60 ILE HD11 H 1 0.839 0.001 . . . . . . . 60 I QD1 . 15863 1 421 . 1 1 60 60 ILE HD12 H 1 0.839 0.001 . . . . . . . 60 I QD1 . 15863 1 422 . 1 1 60 60 ILE HD13 H 1 0.839 0.001 . . . . . . . 60 I QD1 . 15863 1 423 . 1 1 60 60 ILE HG12 H 1 1.186 0.004 . 2 . . . . . 60 I HG12 . 15863 1 424 . 1 1 60 60 ILE HG13 H 1 1.506 0.002 . 2 . . . . . 60 I HG13 . 15863 1 425 . 1 1 60 60 ILE HG21 H 1 0.769 0.002 . . . . . . . 60 I QG2 . 15863 1 426 . 1 1 60 60 ILE HG22 H 1 0.769 0.002 . . . . . . . 60 I QG2 . 15863 1 427 . 1 1 60 60 ILE HG23 H 1 0.769 0.002 . . . . . . . 60 I QG2 . 15863 1 428 . 1 1 60 60 ILE N N 15 122.756 0.036 . 1 . . . . . 60 I N . 15863 1 429 . 1 1 61 61 ILE H H 1 8.958 0.006 . 1 . . . . . 61 I HN . 15863 1 430 . 1 1 61 61 ILE HA H 1 4.197 0.003 . 1 . . . . . 61 I HA . 15863 1 431 . 1 1 61 61 ILE HB H 1 1.430 0.003 . 1 . . . . . 61 I HB . 15863 1 432 . 1 1 61 61 ILE HD11 H 1 -0.016 0.001 . . . . . . . 61 I QD1 . 15863 1 433 . 1 1 61 61 ILE HD12 H 1 -0.016 0.001 . . . . . . . 61 I QD1 . 15863 1 434 . 1 1 61 61 ILE HD13 H 1 -0.016 0.001 . . . . . . . 61 I QD1 . 15863 1 435 . 1 1 61 61 ILE HG12 H 1 0.600 0.002 . 2 . . . . . 61 I HG12 . 15863 1 436 . 1 1 61 61 ILE HG13 H 1 0.971 0.004 . 2 . . . . . 61 I HG13 . 15863 1 437 . 1 1 61 61 ILE HG21 H 1 0.690 0.003 . . . . . . . 61 I QG2 . 15863 1 438 . 1 1 61 61 ILE HG22 H 1 0.690 0.003 . . . . . . . 61 I QG2 . 15863 1 439 . 1 1 61 61 ILE HG23 H 1 0.690 0.003 . . . . . . . 61 I QG2 . 15863 1 440 . 1 1 61 61 ILE N N 15 129.615 0.123 . 1 . . . . . 61 I N . 15863 1 441 . 1 1 62 62 ASN H H 1 8.719 0.007 . 1 . . . . . 62 N HN . 15863 1 442 . 1 1 62 62 ASN HA H 1 4.638 0.002 . 1 . . . . . 62 N HA . 15863 1 443 . 1 1 62 62 ASN HB2 H 1 2.729 0.001 . 2 . . . . . 62 N HB2 . 15863 1 444 . 1 1 62 62 ASN HB3 H 1 2.811 0.002 . 2 . . . . . 62 N HB3 . 15863 1 445 . 1 1 62 62 ASN HD21 H 1 7.650 0.004 . 2 . . . . . 62 N HD21 . 15863 1 446 . 1 1 62 62 ASN HD22 H 1 6.885 0.001 . 2 . . . . . 62 N HD22 . 15863 1 447 . 1 1 62 62 ASN N N 15 126.018 0.041 . 1 . . . . . 62 N N . 15863 1 448 . 1 1 62 62 ASN ND2 N 15 112.767 0.032 . 1 . . . . . 62 N ND2 . 15863 1 449 . 1 1 63 63 ALA H H 1 8.804 0.003 . 1 . . . . . 63 A HN . 15863 1 450 . 1 1 63 63 ALA HA H 1 3.785 0.001 . 1 . . . . . 63 A HA . 15863 1 451 . 1 1 63 63 ALA HB1 H 1 1.389 0.001 . . . . . . . 63 A QB . 15863 1 452 . 1 1 63 63 ALA HB2 H 1 1.389 0.001 . . . . . . . 63 A QB . 15863 1 453 . 1 1 63 63 ALA HB3 H 1 1.389 0.001 . . . . . . . 63 A QB . 15863 1 454 . 1 1 63 63 ALA N N 15 129.091 0.084 . 1 . . . . . 63 A N . 15863 1 455 . 1 1 64 64 ALA H H 1 8.410 0.004 . 1 . . . . . 64 A HN . 15863 1 456 . 1 1 64 64 ALA HA H 1 4.268 0.001 . 1 . . . . . 64 A HA . 15863 1 457 . 1 1 64 64 ALA HB1 H 1 1.382 0.002 . . . . . . . 64 A QB . 15863 1 458 . 1 1 64 64 ALA HB2 H 1 1.382 0.002 . . . . . . . 64 A QB . 15863 1 459 . 1 1 64 64 ALA HB3 H 1 1.382 0.002 . . . . . . . 64 A QB . 15863 1 460 . 1 1 64 64 ALA N N 15 118.906 0.031 . 1 . . . . . 64 A N . 15863 1 461 . 1 1 65 65 ASN H H 1 8.254 0.003 . 1 . . . . . 65 N HN . 15863 1 462 . 1 1 65 65 ASN HA H 1 4.922 0.002 . 1 . . . . . 65 N HA . 15863 1 463 . 1 1 65 65 ASN HB2 H 1 2.885 0.002 . 2 . . . . . 65 N HB2 . 15863 1 464 . 1 1 65 65 ASN HB3 H 1 3.276 0.002 . 2 . . . . . 65 N HB3 . 15863 1 465 . 1 1 65 65 ASN HD21 H 1 7.555 0.020 . 2 . . . . . 65 N HD21 . 15863 1 466 . 1 1 65 65 ASN HD22 H 1 7.043 0.005 . 2 . . . . . 65 N HD22 . 15863 1 467 . 1 1 65 65 ASN N N 15 115.645 0.037 . 1 . . . . . 65 N N . 15863 1 468 . 1 1 65 65 ASN ND2 N 15 112.624 0.038 . 1 . . . . . 65 N ND2 . 15863 1 469 . 1 1 66 66 CYS H H 1 7.711 0.004 . 1 . . . . . 66 C HN . 15863 1 470 . 1 1 66 66 CYS HA H 1 5.676 0.002 . 1 . . . . . 66 C HA . 15863 1 471 . 1 1 66 66 CYS HB2 H 1 2.938 0.001 . 2 . . . . . 66 C HB2 . 15863 1 472 . 1 1 66 66 CYS HB3 H 1 3.006 0.002 . 2 . . . . . 66 C HB3 . 15863 1 473 . 1 1 66 66 CYS N N 15 117.166 0.055 . 1 . . . . . 66 C N . 15863 1 474 . 1 1 67 67 VAL H H 1 8.543 0.010 . 1 . . . . . 67 V HN . 15863 1 475 . 1 1 67 67 VAL HA H 1 4.110 0.001 . 1 . . . . . 67 V HA . 15863 1 476 . 1 1 67 67 VAL HB H 1 2.030 0.001 . 1 . . . . . 67 V HB . 15863 1 477 . 1 1 67 67 VAL HG11 H 1 0.670 0.001 . . . . . . . 67 V QG1 . 15863 1 478 . 1 1 67 67 VAL HG12 H 1 0.670 0.001 . . . . . . . 67 V QG1 . 15863 1 479 . 1 1 67 67 VAL HG13 H 1 0.670 0.001 . . . . . . . 67 V QG1 . 15863 1 480 . 1 1 67 67 VAL HG21 H 1 0.813 0.002 . . . . . . . 67 V QG2 . 15863 1 481 . 1 1 67 67 VAL HG22 H 1 0.813 0.002 . . . . . . . 67 V QG2 . 15863 1 482 . 1 1 67 67 VAL HG23 H 1 0.813 0.002 . . . . . . . 67 V QG2 . 15863 1 483 . 1 1 67 67 VAL N N 15 120.088 0.040 . 1 . . . . . 67 V N . 15863 1 484 . 1 1 68 68 ALA H H 1 8.173 0.008 . 1 . . . . . 68 A HN . 15863 1 485 . 1 1 68 68 ALA HA H 1 4.100 0.001 . 1 . . . . . 68 A HA . 15863 1 486 . 1 1 68 68 ALA HB1 H 1 1.346 0.003 . . . . . . . 68 A QB . 15863 1 487 . 1 1 68 68 ALA HB2 H 1 1.346 0.003 . . . . . . . 68 A QB . 15863 1 488 . 1 1 68 68 ALA HB3 H 1 1.346 0.003 . . . . . . . 68 A QB . 15863 1 489 . 1 1 68 68 ALA N N 15 132.633 0.166 . 1 . . . . . 68 A N . 15863 1 stop_ save_