################################### # 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 16090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 16090 1 3 '2D 1H-15N HSQC' . . . 16090 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 $xwinnmr . . 16090 1 2 $SPARKY . . 16090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 TYR H H 1 8.110 0.01 . 1 . . . . 2 Y HN . 16090 1 2 . 1 1 4 4 TYR HA H 1 4.599 0.01 . 1 . . . . 2 Y HA . 16090 1 3 . 1 1 4 4 TYR HB2 H 1 2.868 0.01 . 2 . . . . 2 Y HB2 . 16090 1 4 . 1 1 4 4 TYR HB3 H 1 2.997 0.01 . 2 . . . . 2 Y HB3 . 16090 1 5 . 1 1 4 4 TYR HD1 H 1 7.062 0.01 . 3 . . . . 2 Y HD1 . 16090 1 6 . 1 1 4 4 TYR HD2 H 1 7.062 0.01 . 3 . . . . 2 Y HD2 . 16090 1 7 . 1 1 4 4 TYR HE1 H 1 6.779 0.01 . 3 . . . . 2 Y HE1 . 16090 1 8 . 1 1 4 4 TYR HE2 H 1 6.779 0.01 . 3 . . . . 2 Y HE2 . 16090 1 9 . 1 1 4 4 TYR N N 15 120.654 0.05 . 1 . . . . 2 Y N . 16090 1 10 . 1 1 5 5 ILE H H 1 8.066 0.01 . 1 . . . . 3 I HN . 16090 1 11 . 1 1 5 5 ILE HA H 1 4.306 0.01 . 1 . . . . 3 I HA . 16090 1 12 . 1 1 5 5 ILE HB H 1 1.694 0.01 . 1 . . . . 3 I HB . 16090 1 13 . 1 1 5 5 ILE HD11 H 1 0.800 0.01 . 1 . . . . 3 I HD11 . 16090 1 14 . 1 1 5 5 ILE HD12 H 1 0.800 0.01 . 1 . . . . 3 I HD12 . 16090 1 15 . 1 1 5 5 ILE HD13 H 1 0.800 0.01 . 1 . . . . 3 I HD13 . 16090 1 16 . 1 1 5 5 ILE HG12 H 1 1.450 0.01 . 2 . . . . 3 I HG12 . 16090 1 17 . 1 1 5 5 ILE HG13 H 1 1.057 0.01 . 2 . . . . 3 I HG13 . 16090 1 18 . 1 1 5 5 ILE HG21 H 1 0.831 0.01 . 1 . . . . 3 I HG21 . 16090 1 19 . 1 1 5 5 ILE HG22 H 1 0.831 0.01 . 1 . . . . 3 I HG22 . 16090 1 20 . 1 1 5 5 ILE HG23 H 1 0.831 0.01 . 1 . . . . 3 I HG23 . 16090 1 21 . 1 1 5 5 ILE N N 15 127.124 0.05 . 1 . . . . 3 I N . 16090 1 22 . 1 1 6 6 PRO HA H 1 4.254 0.01 . 1 . . . . 4 P HA . 16090 1 23 . 1 1 6 6 PRO HB2 H 1 2.148 0.01 . 2 . . . . 4 P HB2 . 16090 1 24 . 1 1 6 6 PRO HB3 H 1 2.254 0.01 . 2 . . . . 4 P HB3 . 16090 1 25 . 1 1 6 6 PRO HD2 H 1 3.472 0.01 . 2 . . . . 4 P HD2 . 16090 1 26 . 1 1 6 6 PRO HD3 H 1 3.517 0.01 . 2 . . . . 4 P HD3 . 16090 1 27 . 1 1 6 6 PRO HG2 H 1 1.864 0.01 . 2 . . . . 4 P HG2 . 16090 1 28 . 1 1 6 6 PRO HG3 H 1 1.889 0.01 . 2 . . . . 4 P HG3 . 16090 1 29 . 1 1 7 7 ARG H H 1 8.242 0.01 . 1 . . . . 5 R HN . 16090 1 30 . 1 1 7 7 ARG HA H 1 4.254 0.01 . 1 . . . . 5 R HA . 16090 1 31 . 1 1 7 7 ARG HB2 H 1 1.772 0.01 . 1 . . . . 5 R HB2 . 16090 1 32 . 1 1 7 7 ARG HB3 H 1 1.694 0.01 . 1 . . . . 5 R HB3 . 16090 1 33 . 1 1 7 7 ARG HD2 H 1 3.135 0.01 . 1 . . . . 5 R HD2 . 16090 1 34 . 1 1 7 7 ARG HD3 H 1 3.135 0.01 . 1 . . . . 5 R HD3 . 16090 1 35 . 1 1 7 7 ARG HG2 H 1 1.626 0.01 . 1 . . . . 5 R HG2 . 16090 1 36 . 1 1 7 7 ARG HG3 H 1 1.626 0.01 . 1 . . . . 5 R HG3 . 16090 1 37 . 1 1 7 7 ARG N N 15 120.764 0.05 . 1 . . . . 5 R N . 16090 1 38 . 1 1 8 8 ALA H H 1 8.241 0.01 . 1 . . . . 6 A HN . 16090 1 39 . 1 1 8 8 ALA HA H 1 4.042 0.01 . 1 . . . . 6 A HA . 16090 1 40 . 1 1 8 8 ALA HB1 H 1 1.006 0.01 . 1 . . . . 6 A HB1 . 16090 1 41 . 1 1 8 8 ALA HB2 H 1 1.006 0.01 . 1 . . . . 6 A HB2 . 16090 1 42 . 1 1 8 8 ALA HB3 H 1 1.006 0.01 . 1 . . . . 6 A HB3 . 16090 1 43 . 1 1 8 8 ALA N N 15 126.330 0.05 . 1 . . . . 6 A N . 16090 1 44 . 1 1 9 9 PRO HA H 1 4.254 0.01 . 1 . . . . 7 P HA . 16090 1 45 . 1 1 9 9 PRO HB2 H 1 2.144 0.01 . 1 . . . . 7 P HB2 . 16090 1 46 . 1 1 9 9 PRO HB3 H 1 2.144 0.01 . 1 . . . . 7 P HB3 . 16090 1 47 . 1 1 9 9 PRO HD2 H 1 3.075 0.01 . 2 . . . . 7 P HD2 . 16090 1 48 . 1 1 9 9 PRO HD3 H 1 3.446 0.01 . 2 . . . . 7 P HD3 . 16090 1 49 . 1 1 9 9 PRO HG2 H 1 1.770 0.01 . 2 . . . . 7 P HG2 . 16090 1 50 . 1 1 9 9 PRO HG3 H 1 1.788 0.01 . 2 . . . . 7 P HG3 . 16090 1 51 . 1 1 10 10 ARG H H 1 8.282 0.01 . 1 . . . . 8 R HN . 16090 1 52 . 1 1 10 10 ARG HA H 1 4.351 0.01 . 1 . . . . 8 R HA . 16090 1 53 . 1 1 10 10 ARG HB2 H 1 1.851 0.01 . 1 . . . . 8 R HB2 . 16090 1 54 . 1 1 10 10 ARG HB3 H 1 1.680 0.01 . 1 . . . . 8 R HB3 . 16090 1 55 . 1 1 10 10 ARG HD2 H 1 3.123 0.01 . 1 . . . . 8 R HD2 . 16090 1 56 . 1 1 10 10 ARG HD3 H 1 3.123 0.01 . 1 . . . . 8 R HD3 . 16090 1 57 . 1 1 10 10 ARG HG2 H 1 1.572 0.01 . 1 . . . . 8 R HG2 . 16090 1 58 . 1 1 10 10 ARG HG3 H 1 1.572 0.01 . 1 . . . . 8 R HG3 . 16090 1 59 . 1 1 10 10 ARG N N 15 120.314 0.05 . 1 . . . . 8 R N . 16090 1 60 . 1 1 11 11 ASP H H 1 8.197 0.01 . 1 . . . . 9 D HN . 16090 1 61 . 1 1 11 11 ASP HA H 1 4.572 0.01 . 1 . . . . 9 D HA . 16090 1 62 . 1 1 11 11 ASP HB2 H 1 2.769 0.01 . 1 . . . . 9 D HB2 . 16090 1 63 . 1 1 11 11 ASP HB3 H 1 2.660 0.01 . 1 . . . . 9 D HB3 . 16090 1 64 . 1 1 11 11 ASP N N 15 120.415 0.05 . 1 . . . . 9 D N . 16090 1 65 . 1 1 12 12 GLY H H 1 8.492 0.01 . 1 . . . . 10 G HN . 16090 1 66 . 1 1 12 12 GLY HA2 H 1 3.824 0.01 . 2 . . . . 10 G HA2 . 16090 1 67 . 1 1 12 12 GLY HA3 H 1 4.062 0.01 . 2 . . . . 10 G HA3 . 16090 1 68 . 1 1 12 12 GLY N N 15 108.979 0.05 . 1 . . . . 10 G N . 16090 1 69 . 1 1 13 13 GLN H H 1 8.111 0.01 . 1 . . . . 11 Q HN . 16090 1 70 . 1 1 13 13 GLN HA H 1 4.454 0.01 . 1 . . . . 11 Q HA . 16090 1 71 . 1 1 13 13 GLN HB2 H 1 1.969 0.01 . 2 . . . . 11 Q HB2 . 16090 1 72 . 1 1 13 13 GLN HB3 H 1 1.935 0.01 . 2 . . . . 11 Q HB3 . 16090 1 73 . 1 1 13 13 GLN HE21 H 1 6.830 0.01 . 2 . . . . 11 Q HE21 . 16090 1 74 . 1 1 13 13 GLN HE22 H 1 7.565 0.01 . 2 . . . . 11 Q HE22 . 16090 1 75 . 1 1 13 13 GLN HG2 H 1 2.272 0.01 . 2 . . . . 11 Q HG1 . 16090 1 76 . 1 1 13 13 GLN HG3 H 1 2.189 0.01 . 2 . . . . 11 Q HG2 . 16090 1 77 . 1 1 13 13 GLN N N 15 118.781 0.05 . 1 . . . . 11 Q N . 16090 1 78 . 1 1 13 13 GLN NE2 N 15 112.136 0.05 . 1 . . . . 11 Q NE2 . 16090 1 79 . 1 1 14 14 ALA H H 1 8.282 0.01 . 1 . . . . 12 A HN . 16090 1 80 . 1 1 14 14 ALA HA H 1 4.509 0.01 . 1 . . . . 12 A HA . 16090 1 81 . 1 1 14 14 ALA HB1 H 1 1.321 0.01 . 1 . . . . 12 A HB1 . 16090 1 82 . 1 1 14 14 ALA HB2 H 1 1.321 0.01 . 1 . . . . 12 A HB2 . 16090 1 83 . 1 1 14 14 ALA HB3 H 1 1.321 0.01 . 1 . . . . 12 A HB3 . 16090 1 84 . 1 1 14 14 ALA N N 15 123.447 0.05 . 1 . . . . 12 A N . 16090 1 85 . 1 1 15 15 TYR H H 1 8.383 0.01 . 1 . . . . 13 Y HN . 16090 1 86 . 1 1 15 15 TYR HA H 1 5.126 0.01 . 1 . . . . 13 Y HA . 16090 1 87 . 1 1 15 15 TYR HB2 H 1 2.994 0.01 . 1 . . . . 13 Y HB2 . 16090 1 88 . 1 1 15 15 TYR HB3 H 1 2.722 0.01 . 1 . . . . 13 Y HB3 . 16090 1 89 . 1 1 15 15 TYR HD1 H 1 6.906 0.01 . 3 . . . . 13 Y HD1 . 16090 1 90 . 1 1 15 15 TYR HD2 H 1 6.906 0.01 . 3 . . . . 13 Y HD2 . 16090 1 91 . 1 1 15 15 TYR HE1 H 1 6.807 0.01 . 3 . . . . 13 Y HE1 . 16090 1 92 . 1 1 15 15 TYR HE2 H 1 6.807 0.01 . 3 . . . . 13 Y HE2 . 16090 1 93 . 1 1 15 15 TYR N N 15 119.333 0.05 . 1 . . . . 13 Y N . 16090 1 94 . 1 1 16 16 VAL H H 1 9.149 0.01 . 1 . . . . 14 V HN . 16090 1 95 . 1 1 16 16 VAL HA H 1 4.618 0.01 . 1 . . . . 14 V HA . 16090 1 96 . 1 1 16 16 VAL HB H 1 2.029 0.01 . 1 . . . . 14 V HB . 16090 1 97 . 1 1 16 16 VAL HG11 H 1 0.897 0.01 . 2 . . . . 14 V HG11 . 16090 1 98 . 1 1 16 16 VAL HG12 H 1 0.897 0.01 . 2 . . . . 14 V HG12 . 16090 1 99 . 1 1 16 16 VAL HG13 H 1 0.897 0.01 . 2 . . . . 14 V HG13 . 16090 1 100 . 1 1 16 16 VAL HG21 H 1 0.853 0.01 . 2 . . . . 14 V HG21 . 16090 1 101 . 1 1 16 16 VAL HG22 H 1 0.853 0.01 . 2 . . . . 14 V HG22 . 16090 1 102 . 1 1 16 16 VAL HG23 H 1 0.853 0.01 . 2 . . . . 14 V HG23 . 16090 1 103 . 1 1 16 16 VAL N N 15 118.904 0.05 . 1 . . . . 14 V N . 16090 1 104 . 1 1 17 17 ARG H H 1 8.471 0.01 . 1 . . . . 15 R HN . 16090 1 105 . 1 1 17 17 ARG HA H 1 4.401 0.01 . 1 . . . . 15 R HA . 16090 1 106 . 1 1 17 17 ARG HB2 H 1 1.499 0.01 . 1 . . . . 15 R HB2 . 16090 1 107 . 1 1 17 17 ARG HB3 H 1 1.499 0.01 . 1 . . . . 15 R HB3 . 16090 1 108 . 1 1 17 17 ARG HD2 H 1 2.319 0.01 . 1 . . . . 15 R HD2 . 16090 1 109 . 1 1 17 17 ARG HD3 H 1 2.319 0.01 . 1 . . . . 15 R HD3 . 16090 1 110 . 1 1 17 17 ARG HG2 H 1 0.947 0.01 . 2 . . . . 15 R HG2 . 16090 1 111 . 1 1 17 17 ARG HG3 H 1 0.976 0.01 . 2 . . . . 15 R HG3 . 16090 1 112 . 1 1 17 17 ARG N N 15 125.066 0.05 . 1 . . . . 15 R N . 16090 1 113 . 1 1 18 18 LYS H H 1 8.912 0.01 . 1 . . . . 16 K HN . 16090 1 114 . 1 1 18 18 LYS HA H 1 4.395 0.01 . 1 . . . . 16 K HA . 16090 1 115 . 1 1 18 18 LYS HB2 H 1 1.567 0.01 . 2 . . . . 16 K HB2 . 16090 1 116 . 1 1 18 18 LYS HB3 H 1 1.727 0.01 . 2 . . . . 16 K HB3 . 16090 1 117 . 1 1 18 18 LYS HD2 H 1 1.599 0.01 . 1 . . . . 16 K HD2 . 16090 1 118 . 1 1 18 18 LYS HD3 H 1 1.599 0.01 . 1 . . . . 16 K HD3 . 16090 1 119 . 1 1 18 18 LYS HE2 H 1 2.913 0.01 . 1 . . . . 16 K HE2 . 16090 1 120 . 1 1 18 18 LYS HE3 H 1 2.913 0.01 . 1 . . . . 16 K HE3 . 16090 1 121 . 1 1 18 18 LYS HG2 H 1 1.239 0.01 . 2 . . . . 16 K HG2 . 16090 1 122 . 1 1 18 18 LYS HG3 H 1 1.341 0.01 . 2 . . . . 16 K HG3 . 16090 1 123 . 1 1 18 18 LYS N N 15 126.761 0.05 . 1 . . . . 16 K N . 16090 1 124 . 1 1 19 19 ASP H H 1 9.085 0.01 . 1 . . . . 17 D HN . 16090 1 125 . 1 1 19 19 ASP HA H 1 4.287 0.01 . 1 . . . . 17 D HA . 16090 1 126 . 1 1 19 19 ASP HB2 H 1 2.657 0.01 . 2 . . . . 17 D HB2 . 16090 1 127 . 1 1 19 19 ASP HB3 H 1 2.820 0.01 . 2 . . . . 17 D HB3 . 16090 1 128 . 1 1 19 19 ASP N N 15 125.647 0.05 . 1 . . . . 17 D N . 16090 1 129 . 1 1 20 20 GLY H H 1 8.415 0.01 . 1 . . . . 18 G HN . 16090 1 130 . 1 1 20 20 GLY HA2 H 1 3.506 0.01 . 2 . . . . 18 G HA2 . 16090 1 131 . 1 1 20 20 GLY HA3 H 1 4.017 0.01 . 2 . . . . 18 G HA3 . 16090 1 132 . 1 1 20 20 GLY N N 15 104.757 0.05 . 1 . . . . 18 G N . 16090 1 133 . 1 1 21 21 GLU H H 1 7.710 0.01 . 1 . . . . 19 E HN . 16090 1 134 . 1 1 21 21 GLU HA H 1 4.525 0.01 . 1 . . . . 19 E HA . 16090 1 135 . 1 1 21 21 GLU HB2 H 1 2.045 0.01 . 1 . . . . 19 E HB2 . 16090 1 136 . 1 1 21 21 GLU HB3 H 1 1.829 0.01 . 1 . . . . 19 E HB3 . 16090 1 137 . 1 1 21 21 GLU HG2 H 1 2.160 0.01 . 2 . . . . 19 E HG2 . 16090 1 138 . 1 1 21 21 GLU HG3 H 1 2.254 0.01 . 2 . . . . 19 E HG3 . 16090 1 139 . 1 1 21 21 GLU N N 15 119.170 0.05 . 1 . . . . 19 E N . 16090 1 140 . 1 1 22 22 TRP H H 1 8.677 0.01 . 1 . . . . 20 W HN . 16090 1 141 . 1 1 22 22 TRP HA H 1 4.989 0.01 . 1 . . . . 20 W HA . 16090 1 142 . 1 1 22 22 TRP HB2 H 1 2.981 0.01 . 1 . . . . 20 W HB2 . 16090 1 143 . 1 1 22 22 TRP HB3 H 1 3.050 0.01 . 1 . . . . 20 W HB3 . 16090 1 144 . 1 1 22 22 TRP HD1 H 1 7.172 0.01 . 1 . . . . 20 W HD1 . 16090 1 145 . 1 1 22 22 TRP HE1 H 1 9.970 0.01 . 1 . . . . 20 W HE1 . 16090 1 146 . 1 1 22 22 TRP HE3 H 1 7.313 0.01 . 1 . . . . 20 W HE3 . 16090 1 147 . 1 1 22 22 TRP HH2 H 1 7.182 0.01 . 1 . . . . 20 W HH2 . 16090 1 148 . 1 1 22 22 TRP HZ2 H 1 7.401 0.01 . 1 . . . . 20 W HZ2 . 16090 1 149 . 1 1 22 22 TRP HZ3 H 1 7.040 0.01 . 1 . . . . 20 W HZ3 . 16090 1 150 . 1 1 22 22 TRP N N 15 122.038 0.05 . 1 . . . . 20 W N . 16090 1 151 . 1 1 22 22 TRP NE1 N 15 128.660 0.05 . 1 . . . . 20 W NE1 . 16090 1 152 . 1 1 23 23 VAL H H 1 9.276 0.01 . 1 . . . . 21 V HN . 16090 1 153 . 1 1 23 23 VAL HA H 1 4.548 0.01 . 1 . . . . 21 V HA . 16090 1 154 . 1 1 23 23 VAL HB H 1 2.099 0.01 . 1 . . . . 21 V HB . 16090 1 155 . 1 1 23 23 VAL HG11 H 1 0.941 0.01 . 1 . . . . 21 V HG11 . 16090 1 156 . 1 1 23 23 VAL HG12 H 1 0.941 0.01 . 1 . . . . 21 V HG12 . 16090 1 157 . 1 1 23 23 VAL HG13 H 1 0.941 0.01 . 1 . . . . 21 V HG13 . 16090 1 158 . 1 1 23 23 VAL HG21 H 1 0.892 0.01 . 1 . . . . 21 V HG21 . 16090 1 159 . 1 1 23 23 VAL HG22 H 1 0.892 0.01 . 1 . . . . 21 V HG22 . 16090 1 160 . 1 1 23 23 VAL HG23 H 1 0.892 0.01 . 1 . . . . 21 V HG23 . 16090 1 161 . 1 1 23 23 VAL N N 15 122.382 0.05 . 1 . . . . 21 V N . 16090 1 162 . 1 1 24 24 LEU H H 1 8.486 0.01 . 1 . . . . 22 L HN . 16090 1 163 . 1 1 24 24 LEU HA H 1 4.142 0.01 . 1 . . . . 22 L HA . 16090 1 164 . 1 1 24 24 LEU HB2 H 1 1.461 0.01 . 1 . . . . 22 L HB2 . 16090 1 165 . 1 1 24 24 LEU HB3 H 1 1.542 0.01 . 1 . . . . 22 L HB3 . 16090 1 166 . 1 1 24 24 LEU HD11 H 1 0.700 0.01 . 2 . . . . 22 L HD11 . 16090 1 167 . 1 1 24 24 LEU HD12 H 1 0.700 0.01 . 2 . . . . 22 L HD12 . 16090 1 168 . 1 1 24 24 LEU HD13 H 1 0.700 0.01 . 2 . . . . 22 L HD13 . 16090 1 169 . 1 1 24 24 LEU HD21 H 1 0.580 0.01 . 2 . . . . 22 L HD21 . 16090 1 170 . 1 1 24 24 LEU HD22 H 1 0.580 0.01 . 2 . . . . 22 L HD22 . 16090 1 171 . 1 1 24 24 LEU HD23 H 1 0.580 0.01 . 2 . . . . 22 L HD23 . 16090 1 172 . 1 1 24 24 LEU HG H 1 1.445 0.01 . 1 . . . . 22 L HG . 16090 1 173 . 1 1 24 24 LEU N N 15 125.477 0.05 . 1 . . . . 22 L N . 16090 1 174 . 1 1 25 25 LEU H H 1 8.510 0.01 . 1 . . . . 23 L HN . 16090 1 175 . 1 1 25 25 LEU HA H 1 4.321 0.01 . 1 . . . . 23 L HA . 16090 1 176 . 1 1 25 25 LEU HB2 H 1 1.562 0.01 . 2 . . . . 23 L HB2 . 16090 1 177 . 1 1 25 25 LEU HB3 H 1 1.598 0.01 . 2 . . . . 23 L HB3 . 16090 1 178 . 1 1 25 25 LEU HD11 H 1 0.879 0.01 . 2 . . . . 23 L HD11 . 16090 1 179 . 1 1 25 25 LEU HD12 H 1 0.879 0.01 . 2 . . . . 23 L HD12 . 16090 1 180 . 1 1 25 25 LEU HD13 H 1 0.879 0.01 . 2 . . . . 23 L HD13 . 16090 1 181 . 1 1 25 25 LEU HD21 H 1 0.848 0.01 . 2 . . . . 23 L HD21 . 16090 1 182 . 1 1 25 25 LEU HD22 H 1 0.848 0.01 . 2 . . . . 23 L HD22 . 16090 1 183 . 1 1 25 25 LEU HD23 H 1 0.848 0.01 . 2 . . . . 23 L HD23 . 16090 1 184 . 1 1 25 25 LEU HG H 1 1.478 0.01 . 1 . . . . 23 L HG . 16090 1 185 . 1 1 25 25 LEU N N 15 125.983 0.05 . 1 . . . . 23 L N . 16090 1 186 . 1 1 26 26 SER H H 1 8.316 0.01 . 1 . . . . 24 S HN . 16090 1 187 . 1 1 26 26 SER HA H 1 4.419 0.01 . 1 . . . . 24 S HA . 16090 1 188 . 1 1 26 26 SER HB2 H 1 3.761 0.01 . 1 . . . . 24 S HB2 . 16090 1 189 . 1 1 26 26 SER HB3 H 1 3.861 0.01 . 1 . . . . 24 S HB3 . 16090 1 190 . 1 1 26 26 SER N N 15 115.544 0.05 . 1 . . . . 24 S N . 16090 1 191 . 1 1 27 27 THR H H 1 7.884 0.01 . 1 . . . . 25 T HN . 16090 1 192 . 1 1 27 27 THR HA H 1 4.252 0.01 . 1 . . . . 25 T HA . 16090 1 193 . 1 1 27 27 THR HB H 1 4.106 0.01 . 1 . . . . 25 T HB . 16090 1 194 . 1 1 27 27 THR HG21 H 1 1.095 0.01 . 1 . . . . 25 T HG21 . 16090 1 195 . 1 1 27 27 THR HG22 H 1 1.095 0.01 . 1 . . . . 25 T HG22 . 16090 1 196 . 1 1 27 27 THR HG23 H 1 1.095 0.01 . 1 . . . . 25 T HG23 . 16090 1 197 . 1 1 27 27 THR N N 15 114.664 0.05 . 1 . . . . 25 T N . 16090 1 198 . 1 1 28 28 PHE H H 1 8.069 0.01 . 1 . . . . 26 F HN . 16090 1 199 . 1 1 28 28 PHE HA H 1 4.657 0.01 . 1 . . . . 26 F HA . 16090 1 200 . 1 1 28 28 PHE HB2 H 1 3.218 0.01 . 1 . . . . 26 F HB2 . 16090 1 201 . 1 1 28 28 PHE HB3 H 1 2.968 0.01 . 1 . . . . 26 F HB3 . 16090 1 202 . 1 1 28 28 PHE HD1 H 1 7.259 0.01 . 3 . . . . 26 F HD1 . 16090 1 203 . 1 1 28 28 PHE HD2 H 1 7.259 0.01 . 3 . . . . 26 F HD2 . 16090 1 204 . 1 1 28 28 PHE HE1 H 1 7.301 0.01 . 3 . . . . 26 F HE1 . 16090 1 205 . 1 1 28 28 PHE HE2 H 1 7.301 0.01 . 3 . . . . 26 F HE2 . 16090 1 206 . 1 1 28 28 PHE HZ H 1 7.265 0.01 . 1 . . . . 26 F HZ . 16090 1 207 . 1 1 28 28 PHE N N 15 121.669 0.05 . 1 . . . . 26 F N . 16090 1 208 . 1 1 29 29 LEU H H 1 7.687 0.01 . 1 . . . . 27 L HN . 16090 1 209 . 1 1 29 29 LEU HA H 1 4.173 0.01 . 1 . . . . 27 L HA . 16090 1 210 . 1 1 29 29 LEU HB2 H 1 1.559 0.01 . 1 . . . . 27 L HB2 . 16090 1 211 . 1 1 29 29 LEU HB3 H 1 1.559 0.01 . 1 . . . . 27 L HB3 . 16090 1 212 . 1 1 29 29 LEU HD11 H 1 0.855 0.01 . 2 . . . . 27 L HD11 . 16090 1 213 . 1 1 29 29 LEU HD12 H 1 0.855 0.01 . 2 . . . . 27 L HD12 . 16090 1 214 . 1 1 29 29 LEU HD13 H 1 0.855 0.01 . 2 . . . . 27 L HD13 . 16090 1 215 . 1 1 29 29 LEU HD21 H 1 0.855 0.01 . 2 . . . . 27 L HD21 . 16090 1 216 . 1 1 29 29 LEU HD22 H 1 0.855 0.01 . 2 . . . . 27 L HD22 . 16090 1 217 . 1 1 29 29 LEU HD23 H 1 0.855 0.01 . 2 . . . . 27 L HD23 . 16090 1 218 . 1 1 29 29 LEU N N 15 128.522 0.05 . 1 . . . . 27 L N . 16090 1 stop_ save_