###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30702
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_Assigned_chem_shift_list.Chem_shift_31P_err 0
_Assigned_chem_shift_list.Chem_shift_2H_err 0
_Assigned_chem_shift_list.Chem_shift_19F_err 0
_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' . . . 30702 1
2 '2D 1H-1H NOESY' . . . 30702 1
3 '3D HNCACB' . . . 30702 1
4 '3D HN(CO)CA' . . . 30702 1
5 '2D 1H-15N HSQC' . . . 30702 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 1 1 ABA HA H 1 4.255 0.000 . 1 . . . . A 1 ABA HA . 30702 1
2 . 1 . 1 1 1 ABA HB2 H 1 3.854 0.001 . 1 . . . . A 1 ABA HB2 . 30702 1
3 . 1 . 1 1 1 ABA HG1 H 1 1.408 0.002 . 1 . . . . A 1 ABA HG1 . 30702 1
4 . 1 . 1 1 1 ABA HG2 H 1 1.408 0.002 . 1 . . . . A 1 ABA HG2 . 30702 1
5 . 1 . 1 1 1 ABA HG3 H 1 1.408 0.002 . 1 . . . . A 1 ABA HG3 . 30702 1
6 . 1 . 1 2 2 DBU HB H 1 5.929 0.002 . 1 . . . . A 2 DBU HB . 30702 1
7 . 1 . 1 2 2 DBU HG1 H 1 1.829 0.002 . 1 . . . . A 2 DBU HG1 . 30702 1
8 . 1 . 1 2 2 DBU HG2 H 1 1.829 0.002 . 1 . . . . A 2 DBU HG2 . 30702 1
9 . 1 . 1 2 2 DBU HG3 H 1 1.829 0.002 . 1 . . . . A 2 DBU HG3 . 30702 1
10 . 1 . 1 3 3 PRO HA H 1 4.418 0.002 . 1 . . . . A 3 PRO HA . 30702 1
11 . 1 . 1 3 3 PRO HB2 H 1 2.127 0.002 . 2 . . . . A 3 PRO HB2 . 30702 1
12 . 1 . 1 3 3 PRO HB3 H 1 2.415 0.001 . 2 . . . . A 3 PRO HB3 . 30702 1
13 . 1 . 1 3 3 PRO HG2 H 1 2.073 0.003 . 2 . . . . A 3 PRO HG2 . 30702 1
14 . 1 . 1 3 3 PRO HG3 H 1 2.073 0.003 . 2 . . . . A 3 PRO HG3 . 30702 1
15 . 1 . 1 3 3 PRO HD2 H 1 3.768 0.002 . 2 . . . . A 3 PRO HD2 . 30702 1
16 . 1 . 1 3 3 PRO HD3 H 1 3.977 0.002 . 2 . . . . A 3 PRO HD3 . 30702 1
17 . 1 . 1 4 4 ALA H H 1 8.209 0.014 . 1 . . . . A 4 ALA H . 30702 1
18 . 1 . 1 4 4 ALA HA H 1 4.258 0.001 . 1 . . . . A 4 ALA HA . 30702 1
19 . 1 . 1 4 4 ALA HB1 H 1 1.512 0.003 . 1 . . . . A 4 ALA HB1 . 30702 1
20 . 1 . 1 4 4 ALA HB2 H 1 1.512 0.003 . 1 . . . . A 4 ALA HB2 . 30702 1
21 . 1 . 1 4 4 ALA HB3 H 1 1.512 0.003 . 1 . . . . A 4 ALA HB3 . 30702 1
22 . 1 . 1 5 5 CYS H H 1 7.846 0.003 . 1 . . . . A 5 CYS H . 30702 1
23 . 1 . 1 5 5 CYS HA H 1 4.449 0.005 . 1 . . . . A 5 CYS HA . 30702 1
24 . 1 . 1 5 5 CYS HB2 H 1 2.610 0.003 . 2 . . . . A 5 CYS HB2 . 30702 1
25 . 1 . 1 5 5 CYS HB3 H 1 3.329 0.004 . 2 . . . . A 5 CYS HB3 . 30702 1
26 . 1 . 1 5 5 CYS N N 15 114.659 0.000 . 1 . . . . A 5 CYS N . 30702 1
27 . 1 . 1 6 6 PHE H H 1 8.170 0.002 . 1 . . . . A 6 PHE H . 30702 1
28 . 1 . 1 6 6 PHE HA H 1 4.393 0.004 . 1 . . . . A 6 PHE HA . 30702 1
29 . 1 . 1 6 6 PHE HB2 H 1 3.216 0.004 . 2 . . . . A 6 PHE HB2 . 30702 1
30 . 1 . 1 6 6 PHE HB3 H 1 3.295 0.005 . 2 . . . . A 6 PHE HB3 . 30702 1
31 . 1 . 1 6 6 PHE HD1 H 1 7.270 0.003 . 3 . . . . A 6 PHE HD1 . 30702 1
32 . 1 . 1 6 6 PHE HD2 H 1 7.270 0.003 . 3 . . . . A 6 PHE HD2 . 30702 1
33 . 1 . 1 6 6 PHE HE1 H 1 7.260 0.022 . 3 . . . . A 6 PHE HE1 . 30702 1
34 . 1 . 1 6 6 PHE HE2 H 1 7.260 0.022 . 3 . . . . A 6 PHE HE2 . 30702 1
35 . 1 . 1 6 6 PHE HZ H 1 7.209 0.003 . 1 . . . . A 6 PHE HZ . 30702 1
36 . 1 . 1 6 6 PHE CA C 13 60.592 0.000 . 1 . . . . A 6 PHE CA . 30702 1
37 . 1 . 1 6 6 PHE CB C 13 38.876 0.000 . 1 . . . . A 6 PHE CB . 30702 1
38 . 1 . 1 6 6 PHE N N 15 119.646 0.000 . 1 . . . . A 6 PHE N . 30702 1
39 . 1 . 1 7 7 DBU H H 1 9.428 0.003 . 1 . . . . A 7 DBU H . 30702 1
40 . 1 . 1 7 7 DBU N N 15 118.359 0.028 . 1 . . . . A 7 DBU N . 30702 1
41 . 1 . 1 7 7 DBU HB H 1 6.295 0.002 . 1 . . . . A 7 DBU HB . 30702 1
42 . 1 . 1 7 7 DBU HG1 H 1 1.670 0.004 . 1 . . . . A 7 DBU HG1 . 30702 1
43 . 1 . 1 7 7 DBU HG2 H 1 1.670 0.004 . 1 . . . . A 7 DBU HG2 . 30702 1
44 . 1 . 1 7 7 DBU HG3 H 1 1.670 0.004 . 1 . . . . A 7 DBU HG3 . 30702 1
45 . 1 . 1 8 8 ILE H H 1 7.891 0.004 . 1 . . . . A 8 ILE H . 30702 1
46 . 1 . 1 8 8 ILE HA H 1 3.906 0.002 . 1 . . . . A 8 ILE HA . 30702 1
47 . 1 . 1 8 8 ILE HB H 1 2.045 0.002 . 1 . . . . A 8 ILE HB . 30702 1
48 . 1 . 1 8 8 ILE HG12 H 1 1.286 0.119 . 2 . . . . A 8 ILE HG12 . 30702 1
49 . 1 . 1 8 8 ILE HG13 H 1 1.816 0.003 . 2 . . . . A 8 ILE HG13 . 30702 1
50 . 1 . 1 8 8 ILE HG21 H 1 1.122 0.137 . 1 . . . . A 8 ILE HG21 . 30702 1
51 . 1 . 1 8 8 ILE HG22 H 1 1.122 0.137 . 1 . . . . A 8 ILE HG22 . 30702 1
52 . 1 . 1 8 8 ILE HG23 H 1 1.122 0.137 . 1 . . . . A 8 ILE HG23 . 30702 1
53 . 1 . 1 8 8 ILE HD11 H 1 0.949 0.009 . 1 . . . . A 8 ILE HD11 . 30702 1
54 . 1 . 1 8 8 ILE HD12 H 1 0.949 0.009 . 1 . . . . A 8 ILE HD12 . 30702 1
55 . 1 . 1 8 8 ILE HD13 H 1 0.949 0.009 . 1 . . . . A 8 ILE HD13 . 30702 1
56 . 1 . 1 8 8 ILE CA C 13 64.352 0.000 . 1 . . . . A 8 ILE CA . 30702 1
57 . 1 . 1 8 8 ILE CB C 13 37.562 0.000 . 1 . . . . A 8 ILE CB . 30702 1
58 . 1 . 1 8 8 ILE N N 15 119.348 0.029 . 1 . . . . A 8 ILE N . 30702 1
59 . 1 . 1 9 9 GLY H H 1 8.067 0.006 . 1 . . . . A 9 GLY H . 30702 1
60 . 1 . 1 9 9 GLY HA2 H 1 3.713 0.003 . 2 . . . . A 9 GLY HA2 . 30702 1
61 . 1 . 1 9 9 GLY HA3 H 1 3.873 0.004 . 2 . . . . A 9 GLY HA3 . 30702 1
62 . 1 . 1 9 9 GLY CA C 13 46.809 0.033 . 1 . . . . A 9 GLY CA . 30702 1
63 . 1 . 1 10 10 LEU H H 1 8.071 0.006 . 1 . . . . A 10 LEU H . 30702 1
64 . 1 . 1 10 10 LEU HA H 1 4.076 0.004 . 1 . . . . A 10 LEU HA . 30702 1
65 . 1 . 1 10 10 LEU HB2 H 1 1.564 0.000 . 2 . . . . A 10 LEU HB2 . 30702 1
66 . 1 . 1 10 10 LEU HB3 H 1 1.910 0.000 . 2 . . . . A 10 LEU HB3 . 30702 1
67 . 1 . 1 10 10 LEU HG H 1 1.435 0.003 . 1 . . . . A 10 LEU HG . 30702 1
68 . 1 . 1 10 10 LEU HD11 H 1 0.768 0.004 . 2 . . . . A 10 LEU HD11 . 30702 1
69 . 1 . 1 10 10 LEU HD12 H 1 0.768 0.004 . 2 . . . . A 10 LEU HD12 . 30702 1
70 . 1 . 1 10 10 LEU HD13 H 1 0.768 0.004 . 2 . . . . A 10 LEU HD13 . 30702 1
71 . 1 . 1 10 10 LEU CA C 13 57.199 0.023 . 1 . . . . A 10 LEU CA . 30702 1
72 . 1 . 1 10 10 LEU CB C 13 41.784 0.046 . 1 . . . . A 10 LEU CB . 30702 1
73 . 1 . 1 10 10 LEU N N 15 120.310 0.018 . 1 . . . . A 10 LEU N . 30702 1
74 . 1 . 1 11 11 GLY H H 1 8.285 0.002 . 1 . . . . A 11 GLY H . 30702 1
75 . 1 . 1 11 11 GLY HA2 H 1 3.794 0.005 . 2 . . . . A 11 GLY HA2 . 30702 1
76 . 1 . 1 11 11 GLY HA3 H 1 3.919 0.006 . 2 . . . . A 11 GLY HA3 . 30702 1
77 . 1 . 1 11 11 GLY CA C 13 46.856 0.032 . 1 . . . . A 11 GLY CA . 30702 1
78 . 1 . 1 11 11 GLY N N 15 106.677 0.028 . 1 . . . . A 11 GLY N . 30702 1
79 . 1 . 1 12 12 VAL H H 1 8.483 0.002 . 1 . . . . A 12 VAL H . 30702 1
80 . 1 . 1 12 12 VAL HA H 1 3.701 0.002 . 1 . . . . A 12 VAL HA . 30702 1
81 . 1 . 1 12 12 VAL HB H 1 2.203 0.002 . 1 . . . . A 12 VAL HB . 30702 1
82 . 1 . 1 12 12 VAL HG11 H 1 1.108 0.002 . 1 . . . . A 12 VAL HG11 . 30702 1
83 . 1 . 1 12 12 VAL HG12 H 1 1.108 0.002 . 1 . . . . A 12 VAL HG12 . 30702 1
84 . 1 . 1 12 12 VAL HG13 H 1 1.108 0.002 . 1 . . . . A 12 VAL HG13 . 30702 1
85 . 1 . 1 12 12 VAL HG21 H 1 0.982 0.002 . 1 . . . . A 12 VAL HG21 . 30702 1
86 . 1 . 1 12 12 VAL HG22 H 1 0.982 0.002 . 1 . . . . A 12 VAL HG22 . 30702 1
87 . 1 . 1 12 12 VAL HG23 H 1 0.982 0.002 . 1 . . . . A 12 VAL HG23 . 30702 1
88 . 1 . 1 12 12 VAL CA C 13 66.579 0.000 . 1 . . . . A 12 VAL CA . 30702 1
89 . 1 . 1 12 12 VAL CB C 13 31.454 0.000 . 1 . . . . A 12 VAL CB . 30702 1
90 . 1 . 1 12 12 VAL N N 15 120.477 0.023 . 1 . . . . A 12 VAL N . 30702 1
91 . 1 . 1 13 13 GLY H H 1 8.592 0.004 . 1 . . . . A 13 GLY H . 30702 1
92 . 1 . 1 13 13 GLY HA2 H 1 3.833 0.004 . 2 . . . . A 13 GLY HA2 . 30702 1
93 . 1 . 1 13 13 GLY HA3 H 1 3.950 0.004 . 2 . . . . A 13 GLY HA3 . 30702 1
94 . 1 . 1 13 13 GLY CA C 13 47.125 0.036 . 1 . . . . A 13 GLY CA . 30702 1
95 . 1 . 1 13 13 GLY N N 15 107.079 0.010 . 1 . . . . A 13 GLY N . 30702 1
96 . 1 . 1 14 14 ALA H H 1 8.439 0.003 . 1 . . . . A 14 ALA H . 30702 1
97 . 1 . 1 14 14 ALA HA H 1 4.235 0.001 . 1 . . . . A 14 ALA HA . 30702 1
98 . 1 . 1 14 14 ALA HB1 H 1 1.564 0.001 . 1 . . . . A 14 ALA HB1 . 30702 1
99 . 1 . 1 14 14 ALA HB2 H 1 1.564 0.001 . 1 . . . . A 14 ALA HB2 . 30702 1
100 . 1 . 1 14 14 ALA HB3 H 1 1.564 0.001 . 1 . . . . A 14 ALA HB3 . 30702 1
101 . 1 . 1 14 14 ALA CA C 13 54.945 0.000 . 1 . . . . A 14 ALA CA . 30702 1
102 . 1 . 1 14 14 ALA CB C 13 17.774 0.000 . 1 . . . . A 14 ALA CB . 30702 1
103 . 1 . 1 14 14 ALA N N 15 123.652 0.014 . 1 . . . . A 14 ALA N . 30702 1
104 . 1 . 1 15 15 LEU H H 1 8.081 0.002 . 1 . . . . A 15 LEU H . 30702 1
105 . 1 . 1 15 15 LEU HA H 1 4.068 0.004 . 1 . . . . A 15 LEU HA . 30702 1
106 . 1 . 1 15 15 LEU HB2 H 1 1.797 0.048 . 2 . . . . A 15 LEU HB2 . 30702 1
107 . 1 . 1 15 15 LEU HB3 H 1 1.902 0.023 . 2 . . . . A 15 LEU HB3 . 30702 1
108 . 1 . 1 15 15 LEU HG H 1 1.665 0.004 . 1 . . . . A 15 LEU HG . 30702 1
109 . 1 . 1 15 15 LEU HD11 H 1 0.939 0.003 . 2 . . . . A 15 LEU HD11 . 30702 1
110 . 1 . 1 15 15 LEU HD12 H 1 0.939 0.003 . 2 . . . . A 15 LEU HD12 . 30702 1
111 . 1 . 1 15 15 LEU HD13 H 1 0.939 0.003 . 2 . . . . A 15 LEU HD13 . 30702 1
112 . 1 . 1 15 15 LEU HD21 H 1 0.906 0.002 . 2 . . . . A 15 LEU HD21 . 30702 1
113 . 1 . 1 15 15 LEU HD22 H 1 0.906 0.002 . 2 . . . . A 15 LEU HD22 . 30702 1
114 . 1 . 1 15 15 LEU HD23 H 1 0.906 0.002 . 2 . . . . A 15 LEU HD23 . 30702 1
115 . 1 . 1 15 15 LEU CA C 13 57.473 0.000 . 1 . . . . A 15 LEU CA . 30702 1
116 . 1 . 1 15 15 LEU CB C 13 41.700 0.000 . 1 . . . . A 15 LEU CB . 30702 1
117 . 1 . 1 15 15 LEU N N 15 118.460 0.010 . 1 . . . . A 15 LEU N . 30702 1
118 . 1 . 1 16 16 PHE H H 1 8.580 0.003 . 1 . . . . A 16 PHE H . 30702 1
119 . 1 . 1 16 16 PHE HA H 1 4.176 0.002 . 1 . . . . A 16 PHE HA . 30702 1
120 . 1 . 1 16 16 PHE HB2 H 1 3.226 0.004 . 2 . . . . A 16 PHE HB2 . 30702 1
121 . 1 . 1 16 16 PHE HB3 H 1 3.330 0.006 . 2 . . . . A 16 PHE HB3 . 30702 1
122 . 1 . 1 16 16 PHE HD1 H 1 7.336 0.002 . 3 . . . . A 16 PHE HD1 . 30702 1
123 . 1 . 1 16 16 PHE HD2 H 1 7.336 0.002 . 3 . . . . A 16 PHE HD2 . 30702 1
124 . 1 . 1 16 16 PHE HE1 H 1 7.187 0.003 . 3 . . . . A 16 PHE HE1 . 30702 1
125 . 1 . 1 16 16 PHE HE2 H 1 7.187 0.003 . 3 . . . . A 16 PHE HE2 . 30702 1
126 . 1 . 1 16 16 PHE HZ H 1 7.088 0.001 . 1 . . . . A 16 PHE HZ . 30702 1
127 . 1 . 1 16 16 PHE CA C 13 62.065 0.000 . 1 . . . . A 16 PHE CA . 30702 1
128 . 1 . 1 16 16 PHE CB C 13 39.303 0.000 . 1 . . . . A 16 PHE CB . 30702 1
129 . 1 . 1 16 16 PHE N N 15 118.565 0.014 . 1 . . . . A 16 PHE N . 30702 1
130 . 1 . 1 17 17 DAL H H 1 9.188 0.001 . 1 . . . . A 17 DAL H . 30702 1
131 . 1 . 1 17 17 DAL N N 15 121.042 0.010 . 1 . . . . A 17 DAL N . 30702 1
132 . 1 . 1 17 17 DAL HA H 1 4.025 0.004 . 1 . . . . A 17 DAL HA . 30702 1
133 . 1 . 1 17 17 DAL HB1 H 1 2.677 0.006 . 2 . . . . A 17 DAL HB1 . 30702 1
134 . 1 . 1 17 17 DAL HB2 H 1 2.677 0.006 . 2 . . . . A 17 DAL HB2 . 30702 1
135 . 1 . 1 18 18 ALA H H 1 8.590 0.003 . 1 . . . . A 18 ALA H . 30702 1
136 . 1 . 1 18 18 ALA HA H 1 3.971 0.002 . 1 . . . . A 18 ALA HA . 30702 1
137 . 1 . 1 18 18 ALA HB1 H 1 1.486 0.001 . 1 . . . . A 18 ALA HB1 . 30702 1
138 . 1 . 1 18 18 ALA HB2 H 1 1.486 0.001 . 1 . . . . A 18 ALA HB2 . 30702 1
139 . 1 . 1 18 18 ALA HB3 H 1 1.486 0.001 . 1 . . . . A 18 ALA HB3 . 30702 1
140 . 1 . 1 18 18 ALA CA C 13 55.200 0.000 . 1 . . . . A 18 ALA CA . 30702 1
141 . 1 . 1 18 18 ALA CB C 13 17.741 0.000 . 1 . . . . A 18 ALA CB . 30702 1
142 . 1 . 1 18 18 ALA N N 15 122.154 0.000 . 1 . . . . A 18 ALA N . 30702 1
143 . 1 . 1 19 19 LYS H H 1 7.252 0.003 . 1 . . . . A 19 LYS H . 30702 1
144 . 1 . 1 19 19 LYS HA H 1 4.045 0.005 . 1 . . . . A 19 LYS HA . 30702 1
145 . 1 . 1 19 19 LYS HB2 H 1 1.235 0.002 . 2 . . . . A 19 LYS HB2 . 30702 1
146 . 1 . 1 19 19 LYS HB3 H 1 1.235 0.002 . 2 . . . . A 19 LYS HB3 . 30702 1
147 . 1 . 1 19 19 LYS HG2 H 1 0.794 0.008 . 2 . . . . A 19 LYS HG2 . 30702 1
148 . 1 . 1 19 19 LYS HG3 H 1 0.932 0.005 . 2 . . . . A 19 LYS HG3 . 30702 1
149 . 1 . 1 19 19 LYS HD2 H 1 1.400 0.005 . 2 . . . . A 19 LYS HD2 . 30702 1
150 . 1 . 1 19 19 LYS HD3 H 1 1.400 0.005 . 2 . . . . A 19 LYS HD3 . 30702 1
151 . 1 . 1 19 19 LYS HE2 H 1 2.707 0.002 . 2 . . . . A 19 LYS HE2 . 30702 1
152 . 1 . 1 19 19 LYS HE3 H 1 2.707 0.002 . 2 . . . . A 19 LYS HE3 . 30702 1
153 . 1 . 1 19 19 LYS HZ1 H 1 7.753 0.002 . 4 . . . . A 19 LYS HZ1 . 30702 1
154 . 1 . 1 19 19 LYS HZ2 H 1 7.753 0.002 . 4 . . . . A 19 LYS HZ2 . 30702 1
155 . 1 . 1 19 19 LYS HZ3 H 1 7.753 0.002 . 4 . . . . A 19 LYS HZ3 . 30702 1
156 . 1 . 1 19 19 LYS CA C 13 57.320 0.000 . 1 . . . . A 19 LYS CA . 30702 1
157 . 1 . 1 19 19 LYS CB C 13 33.630 0.000 . 1 . . . . A 19 LYS CB . 30702 1
158 . 1 . 1 19 19 LYS N N 15 111.687 0.008 . 1 . . . . A 19 LYS N . 30702 1
159 . 1 . 1 20 20 PHE H H 1 8.038 0.004 . 1 . . . . A 20 PHE H . 30702 1
160 . 1 . 1 20 20 PHE HA H 1 4.849 0.002 . 1 . . . . A 20 PHE HA . 30702 1
161 . 1 . 1 20 20 PHE HB2 H 1 2.091 0.002 . 2 . . . . A 20 PHE HB2 . 30702 1
162 . 1 . 1 20 20 PHE HB3 H 1 3.172 0.003 . 2 . . . . A 20 PHE HB3 . 30702 1
163 . 1 . 1 20 20 PHE HD1 H 1 6.918 0.002 . 3 . . . . A 20 PHE HD1 . 30702 1
164 . 1 . 1 20 20 PHE HD2 H 1 6.918 0.002 . 3 . . . . A 20 PHE HD2 . 30702 1
165 . 1 . 1 20 20 PHE HE1 H 1 7.135 0.003 . 3 . . . . A 20 PHE HE1 . 30702 1
166 . 1 . 1 20 20 PHE HE2 H 1 7.135 0.003 . 3 . . . . A 20 PHE HE2 . 30702 1
167 . 1 . 1 20 20 PHE CA C 13 57.409 0.000 . 1 . . . . A 20 PHE CA . 30702 1
168 . 1 . 1 20 20 PHE CB C 13 41.142 0.000 . 1 . . . . A 20 PHE CB . 30702 1
169 . 1 . 1 20 20 PHE N N 15 111.792 0.006 . 1 . . . . A 20 PHE N . 30702 1
170 . 1 . 1 21 21 CYS H H 1 9.333 0.002 . 1 . . . . A 21 CYS H . 30702 1
171 . 1 . 1 21 21 CYS HA H 1 4.493 0.002 . 1 . . . . A 21 CYS HA . 30702 1
172 . 1 . 1 21 21 CYS HB2 H 1 2.665 0.002 . 2 . . . . A 21 CYS HB2 . 30702 1
173 . 1 . 1 21 21 CYS HB3 H 1 3.636 0.003 . 2 . . . . A 21 CYS HB3 . 30702 1
174 . 1 . 1 21 21 CYS N N 15 120.491 0.075 . 1 . . . . A 21 CYS N . 30702 1
stop_
save_