###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50630
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name hingeTbPKAr2
_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 .
_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 '1D 1H' . . . 50630 1
2 '2D 1H-13C HSQC' . . . 50630 1
3 '2D 1H-1H TOCSY' . . . 50630 1
4 '2D 1H-1H COSY' . . . 50630 1
5 '2D 1H-1H NOESY' . . . 50630 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 $software_1 . . 50630 1
2 $software_2 . . 50630 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 GLY HA2 H 1 4.049 0.02 . 1 . . . . . 198 GLY HA2 . 50630 1
2 . 1 . 1 1 1 GLY HA3 H 1 4.049 0.02 . 1 . . . . . 198 GLY HA3 . 50630 1
3 . 1 . 1 1 1 GLY CA C 13 44.800 0.02 . 1 . . . . . 198 GLY CA . 50630 1
4 . 1 . 1 2 2 GLY H H 1 8.664 0.02 . 1 . . . . . 199 GLY H . 50630 1
5 . 1 . 1 2 2 GLY HA2 H 1 4.014 0.02 . 1 . . . . . 199 GLY HA2 . 50630 1
6 . 1 . 1 2 2 GLY HA3 H 1 4.014 0.02 . 1 . . . . . 199 GLY HA3 . 50630 1
7 . 1 . 1 2 2 GLY CA C 13 44.800 0.02 . 1 . . . . . 199 GLY CA . 50630 1
8 . 1 . 1 3 3 ARG H H 1 8.522 0.02 . 1 . . . . . 200 ARG H . 50630 1
9 . 1 . 1 3 3 ARG HA H 1 4.248 0.02 . 1 . . . . . 200 ARG HA . 50630 1
10 . 1 . 1 3 3 ARG HB2 H 1 1.793 0.02 . 2 . . . . . 200 ARG HB2 . 50630 1
11 . 1 . 1 3 3 ARG HB3 H 1 1.738 0.02 . 2 . . . . . 200 ARG HB3 . 50630 1
12 . 1 . 1 3 3 ARG HG2 H 1 1.625 0.02 . 2 . . . . . 200 ARG HG2 . 50630 1
13 . 1 . 1 3 3 ARG HG3 H 1 1.625 0.02 . 2 . . . . . 200 ARG HG3 . 50630 1
14 . 1 . 1 3 3 ARG HD2 H 1 3.191 0.02 . 2 . . . . . 200 ARG HD2 . 50630 1
15 . 1 . 1 3 3 ARG HD3 H 1 3.191 0.02 . 2 . . . . . 200 ARG HD3 . 50630 1
16 . 1 . 1 3 3 ARG HE H 1 7.271 0.02 . 1 . . . . . 200 ARG HE . 50630 1
17 . 1 . 1 3 3 ARG CA C 13 56.440 0.02 . 1 . . . . . 200 ARG CA . 50630 1
18 . 1 . 1 3 3 ARG CB C 13 30.630 0.02 . 1 . . . . . 200 ARG CB . 50630 1
19 . 1 . 1 4 4 LYS H H 1 8.623 0.02 . 1 . . . . . 201 LYS H . 50630 1
20 . 1 . 1 4 4 LYS HA H 1 4.233 0.02 . 1 . . . . . 201 LYS HA . 50630 1
21 . 1 . 1 4 4 LYS HB2 H 1 1.856 0.02 . 2 . . . . . 201 LYS HB2 . 50630 1
22 . 1 . 1 4 4 LYS HB3 H 1 1.768 0.02 . 2 . . . . . 201 LYS HB3 . 50630 1
23 . 1 . 1 4 4 LYS HG2 H 1 1.437 0.02 . 2 . . . . . 201 LYS HG2 . 50630 1
24 . 1 . 1 4 4 LYS HG3 H 1 1.437 0.02 . 2 . . . . . 201 LYS HG3 . 50630 1
25 . 1 . 1 4 4 LYS HD2 H 1 1.675 0.02 . 1 . . . . . 201 LYS HD2 . 50630 1
26 . 1 . 1 4 4 LYS HD3 H 1 1.675 0.02 . 1 . . . . . 201 LYS HD3 . 50630 1
27 . 1 . 1 4 4 LYS HE2 H 1 2.973 0.02 . 1 . . . . . 201 LYS HE2 . 50630 1
28 . 1 . 1 4 4 LYS HE3 H 1 2.973 0.02 . 1 . . . . . 201 LYS HE3 . 50630 1
29 . 1 . 1 4 4 LYS HZ1 H 1 7.618 0.02 . 1 . . . . . 201 LYS HZ1 . 50630 1
30 . 1 . 1 4 4 LYS HZ2 H 1 7.618 0.02 . 1 . . . . . 201 LYS HZ2 . 50630 1
31 . 1 . 1 4 4 LYS HZ3 H 1 7.618 0.02 . 1 . . . . . 201 LYS HZ3 . 50630 1
32 . 1 . 1 4 4 LYS CA C 13 56.510 0.02 . 1 . . . . . 201 LYS CA . 50630 1
33 . 1 . 1 4 4 LYS CB C 13 32.900 0.02 . 1 . . . . . 201 LYS CB . 50630 1
34 . 1 . 1 5 5 ARG H H 1 8.538 0.02 . 1 . . . . . 202 ARG H . 50630 1
35 . 1 . 1 5 5 ARG HA H 1 4.307 0.02 . 1 . . . . . 202 ARG HA . 50630 1
36 . 1 . 1 5 5 ARG HB2 H 1 1.791 0.02 . 2 . . . . . 202 ARG HB2 . 50630 1
37 . 1 . 1 5 5 ARG HB3 H 1 1.736 0.02 . 2 . . . . . 202 ARG HB3 . 50630 1
38 . 1 . 1 5 5 ARG HG2 H 1 1.625 0.02 . 2 . . . . . 202 ARG HG2 . 50630 1
39 . 1 . 1 5 5 ARG HG3 H 1 1.625 0.02 . 2 . . . . . 202 ARG HG3 . 50630 1
40 . 1 . 1 5 5 ARG HD2 H 1 3.190 0.02 . 2 . . . . . 202 ARG HD2 . 50630 1
41 . 1 . 1 5 5 ARG HD3 H 1 3.190 0.02 . 2 . . . . . 202 ARG HD3 . 50630 1
42 . 1 . 1 5 5 ARG HE H 1 7.245 0.02 . 1 . . . . . 202 ARG HE . 50630 1
43 . 1 . 1 5 5 ARG CA C 13 56.090 0.02 . 1 . . . . . 202 ARG CA . 50630 1
44 . 1 . 1 5 5 ARG CB C 13 30.640 0.02 . 1 . . . . . 202 ARG CB . 50630 1
45 . 1 . 1 6 6 ARG H H 1 8.697 0.02 . 1 . . . . . 203 ARG H . 50630 1
46 . 1 . 1 6 6 ARG HA H 1 4.392 0.02 . 1 . . . . . 203 ARG HA . 50630 1
47 . 1 . 1 6 6 ARG HB2 H 1 1.849 0.02 . 2 . . . . . 203 ARG HB2 . 50630 1
48 . 1 . 1 6 6 ARG HB3 H 1 1.775 0.02 . 2 . . . . . 203 ARG HB3 . 50630 1
49 . 1 . 1 6 6 ARG HG2 H 1 1.669 0.02 . 2 . . . . . 203 ARG HG2 . 50630 1
50 . 1 . 1 6 6 ARG HG3 H 1 1.621 0.02 . 2 . . . . . 203 ARG HG3 . 50630 1
51 . 1 . 1 6 6 ARG HD2 H 1 3.191 0.02 . 2 . . . . . 203 ARG HD2 . 50630 1
52 . 1 . 1 6 6 ARG HD3 H 1 3.191 0.02 . 2 . . . . . 203 ARG HD3 . 50630 1
53 . 1 . 1 6 6 ARG HE H 1 7.261 0.02 . 1 . . . . . 203 ARG HE . 50630 1
54 . 1 . 1 6 6 ARG CA C 13 56.190 0.02 . 1 . . . . . 203 ARG CA . 50630 1
55 . 1 . 1 6 6 ARG CB C 13 30.640 0.02 . 1 . . . . . 203 ARG CB . 50630 1
56 . 1 . 1 7 7 THR H H 1 8.475 0.02 . 1 . . . . . 204 THR H . 50630 1
57 . 1 . 1 7 7 THR HA H 1 4.433 0.02 . 1 . . . . . 204 THR HA . 50630 1
58 . 1 . 1 7 7 THR HB H 1 4.206 0.02 . 1 . . . . . 204 THR HB . 50630 1
59 . 1 . 1 7 7 THR HG21 H 1 1.193 0.02 . 1 . . . . . 204 THR HG21 . 50630 1
60 . 1 . 1 7 7 THR HG22 H 1 1.193 0.02 . 1 . . . . . 204 THR HG22 . 50630 1
61 . 1 . 1 7 7 THR HG23 H 1 1.193 0.02 . 1 . . . . . 204 THR HG23 . 50630 1
62 . 1 . 1 7 7 THR CA C 13 61.710 0.02 . 1 . . . . . 204 THR CA . 50630 1
63 . 1 . 1 7 7 THR CB C 13 70.020 0.02 . 1 . . . . . 204 THR CB . 50630 1
64 . 1 . 1 8 8 THR H H 1 8.387 0.02 . 1 . . . . . 205 THR H . 50630 1
65 . 1 . 1 8 8 THR HA H 1 4.393 0.02 . 1 . . . . . 205 THR HA . 50630 1
66 . 1 . 1 8 8 THR HB H 1 4.208 0.02 . 1 . . . . . 205 THR HB . 50630 1
67 . 1 . 1 8 8 THR HG21 H 1 1.180 0.02 . 1 . . . . . 205 THR HG21 . 50630 1
68 . 1 . 1 8 8 THR HG22 H 1 1.180 0.02 . 1 . . . . . 205 THR HG22 . 50630 1
69 . 1 . 1 8 8 THR HG23 H 1 1.180 0.02 . 1 . . . . . 205 THR HG23 . 50630 1
70 . 1 . 1 8 8 THR CA C 13 61.690 0.02 . 1 . . . . . 205 THR CA . 50630 1
71 . 1 . 1 8 8 THR CB C 13 70.020 0.02 . 1 . . . . . 205 THR CB . 50630 1
72 . 1 . 1 9 9 VAL H H 1 8.415 0.02 . 1 . . . . . 206 VAL H . 50630 1
73 . 1 . 1 9 9 VAL HA H 1 4.105 0.02 . 1 . . . . . 206 VAL HA . 50630 1
74 . 1 . 1 9 9 VAL HB H 1 2.053 0.02 . 1 . . . . . 206 VAL HB . 50630 1
75 . 1 . 1 9 9 VAL HG11 H 1 0.926 0.02 . 1 . . . . . 206 VAL HG11 . 50630 1
76 . 1 . 1 9 9 VAL HG12 H 1 0.926 0.02 . 1 . . . . . 206 VAL HG12 . 50630 1
77 . 1 . 1 9 9 VAL HG13 H 1 0.926 0.02 . 1 . . . . . 206 VAL HG13 . 50630 1
78 . 1 . 1 9 9 VAL CA C 13 62.390 0.02 . 1 . . . . . 206 VAL CA . 50630 1
79 . 1 . 1 9 9 VAL CB C 13 32.940 0.02 . 1 . . . . . 206 VAL CB . 50630 1
80 . 1 . 1 10 10 ARG H H 1 8.627 0.02 . 1 . . . . . 207 ARG H . 50630 1
81 . 1 . 1 10 10 ARG HA H 1 4.290 0.02 . 1 . . . . . 207 ARG HA . 50630 1
82 . 1 . 1 10 10 ARG HB2 H 1 1.837 0.02 . 2 . . . . . 207 ARG HB2 . 50630 1
83 . 1 . 1 10 10 ARG HB3 H 1 1.766 0.02 . 2 . . . . . 207 ARG HB3 . 50630 1
84 . 1 . 1 10 10 ARG HG2 H 1 1.641 0.02 . 2 . . . . . 207 ARG HG2 . 50630 1
85 . 1 . 1 10 10 ARG HG3 H 1 1.641 0.02 . 2 . . . . . 207 ARG HG3 . 50630 1
86 . 1 . 1 10 10 ARG HD2 H 1 3.191 0.02 . 2 . . . . . 207 ARG HD2 . 50630 1
87 . 1 . 1 10 10 ARG HD3 H 1 3.191 0.02 . 2 . . . . . 207 ARG HD3 . 50630 1
88 . 1 . 1 10 10 ARG HE H 1 7.295 0.02 . 1 . . . . . 207 ARG HE . 50630 1
89 . 1 . 1 10 10 ARG CA C 13 56.440 0.02 . 1 . . . . . 207 ARG CA . 50630 1
90 . 1 . 1 10 10 ARG CB C 13 30.620 0.02 . 1 . . . . . 207 ARG CB . 50630 1
91 . 1 . 1 11 11 GLY H H 1 8.633 0.02 . 1 . . . . . 208 GLY H . 50630 1
92 . 1 . 1 11 11 GLY HA2 H 1 3.989 0.02 . 1 . . . . . 208 GLY HA2 . 50630 1
93 . 1 . 1 11 11 GLY HA3 H 1 3.881 0.02 . 1 . . . . . 208 GLY HA3 . 50630 1
94 . 1 . 1 11 11 GLY CA C 13 45.190 0.02 . 1 . . . . . 208 GLY CA . 50630 1
95 . 1 . 1 12 12 GLU H H 1 8.373 0.02 . 1 . . . . . 209 GLU H . 50630 1
96 . 1 . 1 12 12 GLU HA H 1 4.317 0.02 . 1 . . . . . 209 GLU HA . 50630 1
97 . 1 . 1 12 12 GLU HB2 H 1 2.088 0.02 . 2 . . . . . 209 GLU HB2 . 50630 1
98 . 1 . 1 12 12 GLU HB3 H 1 1.957 0.02 . 2 . . . . . 209 GLU HB3 . 50630 1
99 . 1 . 1 12 12 GLU HG2 H 1 2.273 0.02 . 2 . . . . . 209 GLU HG2 . 50630 1
100 . 1 . 1 12 12 GLU HG3 H 1 2.273 0.02 . 2 . . . . . 209 GLU HG3 . 50630 1
101 . 1 . 1 12 12 GLU CA C 13 56.520 0.02 . 1 . . . . . 209 GLU CA . 50630 1
102 . 1 . 1 12 12 GLU CB C 13 30.320 0.02 . 1 . . . . . 209 GLU CB . 50630 1
103 . 1 . 1 13 13 GLY H H 1 8.631 0.02 . 1 . . . . . 210 GLY H . 50630 1
104 . 1 . 1 13 13 GLY HA2 H 1 3.934 0.02 . 1 . . . . . 210 GLY HA2 . 50630 1
105 . 1 . 1 13 13 GLY HA3 H 1 3.812 0.02 . 1 . . . . . 210 GLY HA3 . 50630 1
106 . 1 . 1 13 13 GLY CA C 13 45.200 0.02 . 1 . . . . . 210 GLY CA . 50630 1
107 . 1 . 1 14 14 ILE H H 1 8.098 0.02 . 1 . . . . . 211 ILE H . 50630 1
108 . 1 . 1 14 14 ILE HA H 1 4.141 0.02 . 1 . . . . . 211 ILE HA . 50630 1
109 . 1 . 1 14 14 ILE HB H 1 1.800 0.02 . 1 . . . . . 211 ILE HB . 50630 1
110 . 1 . 1 14 14 ILE HG12 H 1 1.401 0.02 . 1 . . . . . 211 ILE HG12 . 50630 1
111 . 1 . 1 14 14 ILE HG13 H 1 1.118 0.02 . 1 . . . . . 211 ILE HG13 . 50630 1
112 . 1 . 1 14 14 ILE HG21 H 1 0.850 0.02 . 1 . . . . . 211 ILE HG21 . 50630 1
113 . 1 . 1 14 14 ILE HG22 H 1 0.850 0.02 . 1 . . . . . 211 ILE HG22 . 50630 1
114 . 1 . 1 14 14 ILE HG23 H 1 0.850 0.02 . 1 . . . . . 211 ILE HG23 . 50630 1
115 . 1 . 1 14 14 ILE HD11 H 1 0.821 0.02 . 1 . . . . . 211 ILE HD11 . 50630 1
116 . 1 . 1 14 14 ILE HD12 H 1 0.821 0.02 . 1 . . . . . 211 ILE HD12 . 50630 1
117 . 1 . 1 14 14 ILE HD13 H 1 0.821 0.02 . 1 . . . . . 211 ILE HD13 . 50630 1
118 . 1 . 1 14 14 ILE CA C 13 62.140 0.02 . 1 . . . . . 211 ILE CA . 50630 1
119 . 1 . 1 14 14 ILE CB C 13 38.970 0.02 . 1 . . . . . 211 ILE CB . 50630 1
120 . 1 . 1 15 15 ASP H H 1 8.660 0.02 . 1 . . . . . 212 ASP H . 50630 1
121 . 1 . 1 15 15 ASP HA H 1 4.861 0.02 . 1 . . . . . 212 ASP HA . 50630 1
122 . 1 . 1 15 15 ASP HB2 H 1 2.771 0.02 . 2 . . . . . 212 ASP HB2 . 50630 1
123 . 1 . 1 15 15 ASP HB3 H 1 2.562 0.02 . 2 . . . . . 212 ASP HB3 . 50630 1
124 . 1 . 1 15 15 ASP CA C 13 52.100 0.02 . 1 . . . . . 212 ASP CA . 50630 1
125 . 1 . 1 15 15 ASP CB C 13 41.070 0.02 . 1 . . . . . 212 ASP CB . 50630 1
126 . 1 . 1 16 16 PRO HA H 1 4.359 0.02 . 1 . . . . . 213 PRO HA . 50630 1
127 . 1 . 1 16 16 PRO HB2 H 1 2.303 0.02 . 2 . . . . . 213 PRO HB2 . 50630 1
128 . 1 . 1 16 16 PRO HB3 H 1 1.825 0.02 . 2 . . . . . 213 PRO HB3 . 50630 1
129 . 1 . 1 16 16 PRO HG2 H 1 2.032 0.02 . 2 . . . . . 213 PRO HG2 . 50630 1
130 . 1 . 1 16 16 PRO HG3 H 1 1.963 0.02 . 2 . . . . . 213 PRO HG3 . 50630 1
131 . 1 . 1 16 16 PRO HD2 H 1 3.922 0.02 . 2 . . . . . 213 PRO HD2 . 50630 1
132 . 1 . 1 16 16 PRO HD3 H 1 3.851 0.02 . 2 . . . . . 213 PRO HD3 . 50630 1
133 . 1 . 1 16 16 PRO CA C 13 63.790 0.02 . 1 . . . . . 213 PRO CA . 50630 1
134 . 1 . 1 16 16 PRO CB C 13 32.260 0.02 . 1 . . . . . 213 PRO CB . 50630 1
135 . 1 . 1 17 17 GLU H H 1 8.527 0.02 . 1 . . . . . 214 GLU H . 50630 1
136 . 1 . 1 17 17 GLU HA H 1 4.129 0.02 . 1 . . . . . 214 GLU HA . 50630 1
137 . 1 . 1 17 17 GLU HB2 H 1 2.035 0.02 . 2 . . . . . 214 GLU HB2 . 50630 1
138 . 1 . 1 17 17 GLU HB3 H 1 1.960 0.02 . 2 . . . . . 214 GLU HB3 . 50630 1
139 . 1 . 1 17 17 GLU HG2 H 1 2.313 0.02 . 2 . . . . . 214 GLU HG2 . 50630 1
140 . 1 . 1 17 17 GLU HG3 H 1 2.241 0.02 . 2 . . . . . 214 GLU HG3 . 50630 1
141 . 1 . 1 17 17 GLU CA C 13 56.960 0.02 . 1 . . . . . 214 GLU CA . 50630 1
142 . 1 . 1 17 17 GLU CB C 13 29.660 0.02 . 1 . . . . . 214 GLU CB . 50630 1
143 . 1 . 1 18 18 LYS H H 1 8.074 0.02 . 1 . . . . . 215 LYS H . 50630 1
144 . 1 . 1 18 18 LYS HA H 1 4.223 0.02 . 1 . . . . . 215 LYS HA . 50630 1
145 . 1 . 1 18 18 LYS HB2 H 1 1.841 0.02 . 2 . . . . . 215 LYS HB2 . 50630 1
146 . 1 . 1 18 18 LYS HB3 H 1 1.765 0.02 . 2 . . . . . 215 LYS HB3 . 50630 1
147 . 1 . 1 18 18 LYS HG2 H 1 1.432 0.02 . 2 . . . . . 215 LYS HG2 . 50630 1
148 . 1 . 1 18 18 LYS HG3 H 1 1.432 0.02 . 2 . . . . . 215 LYS HG3 . 50630 1
149 . 1 . 1 18 18 LYS HD2 H 1 1.657 0.02 . 1 . . . . . 215 LYS HD2 . 50630 1
150 . 1 . 1 18 18 LYS HD3 H 1 1.657 0.02 . 1 . . . . . 215 LYS HD3 . 50630 1
151 . 1 . 1 18 18 LYS HE2 H 1 2.988 0.02 . 1 . . . . . 215 LYS HE2 . 50630 1
152 . 1 . 1 18 18 LYS HE3 H 1 2.988 0.02 . 1 . . . . . 215 LYS HE3 . 50630 1
153 . 1 . 1 18 18 LYS HZ1 H 1 7.616 0.02 . 1 . . . . . 215 LYS HZ1 . 50630 1
154 . 1 . 1 18 18 LYS HZ2 H 1 7.616 0.02 . 1 . . . . . 215 LYS HZ2 . 50630 1
155 . 1 . 1 18 18 LYS HZ3 H 1 7.616 0.02 . 1 . . . . . 215 LYS HZ3 . 50630 1
156 . 1 . 1 18 18 LYS CA C 13 56.590 0.02 . 1 . . . . . 215 LYS CA . 50630 1
157 . 1 . 1 18 18 LYS CB C 13 33.040 0.02 . 1 . . . . . 215 LYS CB . 50630 1
158 . 1 . 1 19 19 ALA H H 1 8.228 0.02 . 1 . . . . . 216 ALA H . 50630 1
159 . 1 . 1 19 19 ALA HA H 1 4.231 0.02 . 1 . . . . . 216 ALA HA . 50630 1
160 . 1 . 1 19 19 ALA HB1 H 1 1.391 0.02 . 1 . . . . . 216 ALA HB# . 50630 1
161 . 1 . 1 19 19 ALA HB2 H 1 1.391 0.02 . 1 . . . . . 216 ALA HB# . 50630 1
162 . 1 . 1 19 19 ALA HB3 H 1 1.391 0.02 . 1 . . . . . 216 ALA HB# . 50630 1
163 . 1 . 1 19 19 ALA CA C 13 52.800 0.02 . 1 . . . . . 216 ALA CA . 50630 1
164 . 1 . 1 19 19 ALA CB C 13 19.080 0.02 . 1 . . . . . 216 ALA CB . 50630 1
165 . 1 . 1 20 20 LYS H H 1 8.340 0.02 . 1 . . . . . 217 LYS H . 50630 1
166 . 1 . 1 20 20 LYS HA H 1 4.254 0.02 . 1 . . . . . 217 LYS HA . 50630 1
167 . 1 . 1 20 20 LYS HB2 H 1 1.816 0.02 . 2 . . . . . 217 LYS HB2 . 50630 1
168 . 1 . 1 20 20 LYS HB3 H 1 1.758 0.02 . 2 . . . . . 217 LYS HB3 . 50630 1
169 . 1 . 1 20 20 LYS HG2 H 1 1.460 0.02 . 2 . . . . . 217 LYS HG2 . 50630 1
170 . 1 . 1 20 20 LYS HG3 H 1 1.460 0.02 . 2 . . . . . 217 LYS HG3 . 50630 1
171 . 1 . 1 20 20 LYS HD2 H 1 1.674 0.02 . 1 . . . . . 217 LYS HD2 . 50630 1
172 . 1 . 1 20 20 LYS HD3 H 1 1.674 0.02 . 1 . . . . . 217 LYS HD3 . 50630 1
173 . 1 . 1 20 20 LYS HE2 H 1 2.979 0.02 . 1 . . . . . 217 LYS HE2 . 50630 1
174 . 1 . 1 20 20 LYS HE3 H 1 2.979 0.02 . 1 . . . . . 217 LYS HE3 . 50630 1
175 . 1 . 1 20 20 LYS HZ1 H 1 7.619 0.02 . 1 . . . . . 217 LYS HZ1 . 50630 1
176 . 1 . 1 20 20 LYS HZ2 H 1 7.619 0.02 . 1 . . . . . 217 LYS HZ2 . 50630 1
177 . 1 . 1 20 20 LYS HZ3 H 1 7.619 0.02 . 1 . . . . . 217 LYS HZ3 . 50630 1
178 . 1 . 1 20 20 LYS CA C 13 56.660 0.02 . 1 . . . . . 217 LYS CA . 50630 1
179 . 1 . 1 20 20 LYS CB C 13 33.170 0.02 . 1 . . . . . 217 LYS CB . 50630 1
180 . 1 . 1 21 21 SER H H 1 8.243 0.02 . 1 . . . . . 218 SER H . 50630 1
181 . 1 . 1 21 21 SER HA H 1 4.409 0.02 . 1 . . . . . 218 SER HA . 50630 1
182 . 1 . 1 21 21 SER HB2 H 1 3.830 0.02 . 2 . . . . . 218 SER HB2 . 50630 1
183 . 1 . 1 21 21 SER HB3 H 1 3.830 0.02 . 2 . . . . . 218 SER HB3 . 50630 1
184 . 1 . 1 21 21 SER CA C 13 58.220 0.02 . 1 . . . . . 218 SER CA . 50630 1
185 . 1 . 1 21 21 SER CB C 13 63.800 0.02 . 1 . . . . . 218 SER CB . 50630 1
186 . 1 . 1 22 22 TYR H H 1 8.288 0.02 . 1 . . . . . 219 TYR H . 50630 1
187 . 1 . 1 22 22 TYR HA H 1 4.477 0.02 . 1 . . . . . 219 TYR HA . 50630 1
188 . 1 . 1 22 22 TYR HB2 H 1 3.035 0.02 . 2 . . . . . 219 TYR HB2 . 50630 1
189 . 1 . 1 22 22 TYR HB3 H 1 2.886 0.02 . 2 . . . . . 219 TYR HB3 . 50630 1
190 . 1 . 1 22 22 TYR HD1 H 1 7.071 0.02 . 3 . . . . . 219 TYR HD1 . 50630 1
191 . 1 . 1 22 22 TYR HD2 H 1 7.071 0.02 . 3 . . . . . 219 TYR HD2 . 50630 1
192 . 1 . 1 22 22 TYR HE1 H 1 6.776 0.02 . 3 . . . . . 219 TYR HE1 . 50630 1
193 . 1 . 1 22 22 TYR HE2 H 1 6.776 0.02 . 3 . . . . . 219 TYR HE2 . 50630 1
194 . 1 . 1 22 22 TYR CA C 13 58.520 0.02 . 1 . . . . . 219 TYR CA . 50630 1
195 . 1 . 1 22 22 TYR CB C 13 39.030 0.02 . 1 . . . . . 219 TYR CB . 50630 1
196 . 1 . 1 23 23 VAL H H 1 7.894 0.02 . 1 . . . . . 220 VAL H . 50630 1
197 . 1 . 1 23 23 VAL HA H 1 3.904 0.02 . 1 . . . . . 220 VAL HA . 50630 1
198 . 1 . 1 23 23 VAL HB H 1 1.826 0.02 . 1 . . . . . 220 VAL HB . 50630 1
199 . 1 . 1 23 23 VAL HG11 H 1 0.837 0.02 . 2 . . . . . 220 VAL HG11 . 50630 1
200 . 1 . 1 23 23 VAL HG12 H 1 0.837 0.02 . 2 . . . . . 220 VAL HG12 . 50630 1
201 . 1 . 1 23 23 VAL HG13 H 1 0.837 0.02 . 2 . . . . . 220 VAL HG13 . 50630 1
202 . 1 . 1 23 23 VAL CA C 13 61.350 0.02 . 1 . . . . . 220 VAL CA . 50630 1
203 . 1 . 1 23 23 VAL CB C 13 33.370 0.02 . 1 . . . . . 220 VAL CB . 50630 1
204 . 1 . 1 24 24 ALA H H 1 8.432 0.02 . 1 . . . . . 221 ALA H . 50630 1
205 . 1 . 1 24 24 ALA HA H 1 4.351 0.02 . 1 . . . . . 221 ALA HA . 50630 1
206 . 1 . 1 24 24 ALA HB1 H 1 1.335 0.02 . 1 . . . . . 221 ALA MB . 50630 1
207 . 1 . 1 24 24 ALA HB2 H 1 1.335 0.02 . 1 . . . . . 221 ALA MB . 50630 1
208 . 1 . 1 24 24 ALA HB3 H 1 1.335 0.02 . 1 . . . . . 221 ALA MB . 50630 1
209 . 1 . 1 24 24 ALA CA C 13 56.420 0.02 . 1 . . . . . 221 ALA CA . 50630 1
210 . 1 . 1 24 24 ALA CB C 13 19.090 0.02 . 1 . . . . . 221 ALA CB . 50630 1
211 . 1 . 1 25 25 PRO HA H 1 4.332 0.02 . 1 . . . . . 222 PRO HA . 50630 1
212 . 1 . 1 25 25 PRO HB2 H 1 2.212 0.02 . 2 . . . . . 222 PRO HB2 . 50630 1
213 . 1 . 1 25 25 PRO HB3 H 1 1.795 0.02 . 2 . . . . . 222 PRO HB3 . 50630 1
214 . 1 . 1 25 25 PRO HG2 H 1 2.015 0.02 . 2 . . . . . 222 PRO HG2 . 50630 1
215 . 1 . 1 25 25 PRO HG3 H 1 1.984 0.02 . 2 . . . . . 222 PRO HG3 . 50630 1
216 . 1 . 1 25 25 PRO HD2 H 1 3.649 0.02 . 2 . . . . . 222 PRO HD2 . 50630 1
217 . 1 . 1 25 25 PRO HD3 H 1 3.823 0.02 . 2 . . . . . 222 PRO HD3 . 50630 1
218 . 1 . 1 25 25 PRO CA C 13 63.020 0.02 . 1 . . . . . 222 PRO CA . 50630 1
219 . 1 . 1 25 25 PRO CB C 13 31.950 0.02 . 1 . . . . . 222 PRO CB . 50630 1
220 . 1 . 1 26 26 TYR H H 1 8.225 0.02 . 1 . . . . . 223 TYR H . 50630 1
221 . 1 . 1 26 26 TYR HA H 1 4.452 0.02 . 1 . . . . . 223 TYR HA . 50630 1
222 . 1 . 1 26 26 TYR HB2 H 1 3.005 0.02 . 2 . . . . . 223 TYR HB2 . 50630 1
223 . 1 . 1 26 26 TYR HB3 H 1 3.005 0.02 . 2 . . . . . 223 TYR HB3 . 50630 1
224 . 1 . 1 26 26 TYR HD1 H 1 7.146 0.02 . 3 . . . . . 223 TYR HD1 . 50630 1
225 . 1 . 1 26 26 TYR HD2 H 1 7.146 0.02 . 3 . . . . . 223 TYR HD2 . 50630 1
226 . 1 . 1 26 26 TYR HE1 H 1 6.834 0.02 . 3 . . . . . 223 TYR HE1 . 50630 1
227 . 1 . 1 26 26 TYR HE2 H 1 6.834 0.02 . 3 . . . . . 223 TYR HE2 . 50630 1
228 . 1 . 1 26 26 TYR CA C 13 57.650 0.02 . 1 . . . . . 223 TYR CA . 50630 1
229 . 1 . 1 26 26 TYR CB C 13 38.640 0.02 . 1 . . . . . 223 TYR CB . 50630 1
stop_
save_