###################################
# 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 16709
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'spectral resolution'
_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 COSY' . . . 16709 1
2 '2D 1H-1H NOESY' . . . 16709 1
3 '2D 1H-1H TOCSY' . . . 16709 1
4 '2D 1H-13C HSQC' . . . 16709 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 2KT C4 C 13 5.852 0.400 . 1 . . . . 1 2KT C4 . 16709 1
2 . 1 1 1 1 2KT Q4 H 1 0.980 0.020 . 1 . . . . 1 2KT Q4 . 16709 1
3 . 1 1 1 1 2KT C3 C 13 30.078 0.400 . 1 . . . . 1 2KT C3 . 16709 1
4 . 1 1 1 1 2KT H32 H 1 2.817 0.020 . 2 . . . . 1 2KT H32 . 16709 1
5 . 1 1 1 1 2KT H33 H 1 2.817 0.020 . 2 . . . . 1 2KT H33 . 16709 1
6 . 1 1 2 2 DBU H H 1 10.195 0.020 . 1 . . . . 2 DBU H . 16709 1
7 . 1 1 2 2 DBU CB C 13 124.946 0.400 . 1 . . . . 2 DBU CB . 16709 1
8 . 1 1 2 2 DBU HB H 1 5.957 0.020 . 1 . . . . 2 DBU HB . 16709 1
9 . 1 1 2 2 DBU CG C 13 11.162 0.400 . 1 . . . . 2 DBU CG . 16709 1
10 . 1 1 2 2 DBU QG H 1 1.822 0.020 . 1 . . . . 2 DBU QG . 16709 1
11 . 1 1 3 3 PRO HA H 1 4.426 0.020 . 1 . . . . 3 PRO HA . 16709 1
12 . 1 1 3 3 PRO HB2 H 1 1.963 0.020 . 2 . . . . 3 PRO HB2 . 16709 1
13 . 1 1 3 3 PRO HB3 H 1 1.963 0.020 . 2 . . . . 3 PRO HB3 . 16709 1
14 . 1 1 3 3 PRO HD2 H 1 3.638 0.020 . 2 . . . . 3 PRO HD2 . 16709 1
15 . 1 1 3 3 PRO HD3 H 1 3.566 0.020 . 2 . . . . 3 PRO HD3 . 16709 1
16 . 1 1 3 3 PRO HG2 H 1 2.379 0.020 . 2 . . . . 3 PRO HG2 . 16709 1
17 . 1 1 3 3 PRO HG3 H 1 1.963 0.020 . 2 . . . . 3 PRO HG3 . 16709 1
18 . 1 1 3 3 PRO CA C 13 61.703 0.400 . 1 . . . . 3 PRO CA . 16709 1
19 . 1 1 3 3 PRO CB C 13 24.549 0.400 . 1 . . . . 3 PRO CB . 16709 1
20 . 1 1 3 3 PRO CD C 13 49.638 0.400 . 1 . . . . 3 PRO CD . 16709 1
21 . 1 1 3 3 PRO CG C 13 29.446 0.400 . 1 . . . . 3 PRO CG . 16709 1
22 . 1 1 4 4 ALA H H 1 8.115 0.020 . 1 . . . . 4 ALA H . 16709 1
23 . 1 1 4 4 ALA HA H 1 4.326 0.020 . 1 . . . . 4 ALA HA . 16709 1
24 . 1 1 4 4 ALA HB1 H 1 1.492 0.020 . 1 . . . . 4 ALA HB . 16709 1
25 . 1 1 4 4 ALA HB2 H 1 1.492 0.020 . 1 . . . . 4 ALA HB . 16709 1
26 . 1 1 4 4 ALA HB3 H 1 1.492 0.020 . 1 . . . . 4 ALA HB . 16709 1
27 . 1 1 4 4 ALA CA C 13 50.503 0.400 . 1 . . . . 4 ALA CA . 16709 1
28 . 1 1 4 4 ALA CB C 13 15.660 0.400 . 1 . . . . 4 ALA CB . 16709 1
29 . 1 1 5 5 DBU H H 1 9.040 0.020 . 1 . . . . 5 DBU H . 16709 1
30 . 1 1 5 5 DBU CB C 13 127.731 0.400 . 1 . . . . 5 DBU CB . 16709 1
31 . 1 1 5 5 DBU HB H 1 6.391 0.020 . 1 . . . . 5 DBU HB . 16709 1
32 . 1 1 5 5 DBU CG C 13 11.681 0.400 . 1 . . . . 5 DBU CG . 16709 1
33 . 1 1 5 5 DBU QG H 1 1.810 0.020 . 1 . . . . 5 DBU QG . 16709 1
34 . 1 1 6 6 DBU H H 1 9.458 0.020 . 1 . . . . 6 DBU H . 16709 1
35 . 1 1 6 6 DBU CB C 13 131.251 0.400 . 1 . . . . 6 DBU CB . 16709 1
36 . 1 1 6 6 DBU HB H 1 6.672 0.020 . 1 . . . . 6 DBU HB . 16709 1
37 . 1 1 6 6 DBU CG C 13 11.798 0.400 . 1 . . . . 6 DBU CG . 16709 1
38 . 1 1 6 6 DBU QG H 1 1.846 0.020 . 1 . . . . 6 DBU QG . 16709 1
39 . 1 1 7 7 DAL H H 1 8.014 0.020 . 1 . . . . 7 DAL H . 16709 1
40 . 1 1 7 7 DAL CA C 13 55.325 0.400 . 1 . . . . 7 DAL CA . 16709 1
41 . 1 1 7 7 DAL HA H 1 4.433 0.020 . 1 . . . . 7 DAL HA . 16709 1
42 . 1 1 7 7 DAL CB C 13 32.223 0.400 . 1 . . . . 7 DAL CB . 16709 1
43 . 1 1 7 7 DAL HB2 H 1 3.309 0.020 . 2 . . . . 7 DAL HB2 . 16709 1
44 . 1 1 7 7 DAL HB3 H 1 3.078 0.020 . 2 . . . . 7 DAL HB3 . 16709 1
45 . 1 1 8 8 DHA H H 1 9.432 0.020 . 1 . . . . 8 DHA H . 16709 1
46 . 1 1 8 8 DHA CA C 13 107.652 0.400 . 1 . . . . 8 DHA CA . 16709 1
47 . 1 1 8 8 DHA HB2 H 1 5.441 0.020 . 2 . . . . 8 DHA HB2 . 16709 1
48 . 1 1 8 8 DHA HB3 H 1 5.097 0.020 . 2 . . . . 8 DHA HB3 . 16709 1
49 . 1 1 9 9 TRP H H 1 9.103 0.020 . 1 . . . . 9 TRP H . 16709 1
50 . 1 1 9 9 TRP HA H 1 4.468 0.020 . 1 . . . . 9 TRP HA . 16709 1
51 . 1 1 9 9 TRP HB2 H 1 3.351 0.020 . 2 . . . . 9 TRP HB2 . 16709 1
52 . 1 1 9 9 TRP HB3 H 1 3.351 0.020 . 2 . . . . 9 TRP HB3 . 16709 1
53 . 1 1 9 9 TRP HD1 H 1 7.203 0.020 . 1 . . . . 9 TRP HD1 . 16709 1
54 . 1 1 9 9 TRP HE1 H 1 10.396 0.020 . 1 . . . . 9 TRP HE1 . 16709 1
55 . 1 1 9 9 TRP HE3 H 1 7.567 0.020 . 1 . . . . 9 TRP HE3 . 16709 1
56 . 1 1 9 9 TRP HH2 H 1 7.127 0.020 . 1 . . . . 9 TRP HH2 . 16709 1
57 . 1 1 9 9 TRP HZ2 H 1 7.366 0.020 . 1 . . . . 9 TRP HZ2 . 16709 1
58 . 1 1 9 9 TRP HZ3 H 1 7.035 0.020 . 1 . . . . 9 TRP HZ3 . 16709 1
59 . 1 1 9 9 TRP CA C 13 58.172 0.400 . 1 . . . . 9 TRP CA . 16709 1
60 . 1 1 9 9 TRP CB C 13 27.084 0.400 . 1 . . . . 9 TRP CB . 16709 1
61 . 1 1 9 9 TRP CD1 C 13 123.317 0.400 . 1 . . . . 9 TRP CD1 . 16709 1
62 . 1 1 9 9 TRP CE3 C 13 117.416 0.400 . 1 . . . . 9 TRP CE3 . 16709 1
63 . 1 1 9 9 TRP CH2 C 13 121.133 0.400 . 1 . . . . 9 TRP CH2 . 16709 1
64 . 1 1 9 9 TRP CZ2 C 13 111.398 0.400 . 1 . . . . 9 TRP CZ2 . 16709 1
65 . 1 1 9 9 TRP CZ3 C 13 118.508 0.400 . 1 . . . . 9 TRP CZ3 . 16709 1
66 . 1 1 10 10 THR H H 1 8.030 0.020 . 1 . . . . 10 THR H . 16709 1
67 . 1 1 10 10 THR HA H 1 3.819 0.020 . 1 . . . . 10 THR HA . 16709 1
68 . 1 1 10 10 THR HB H 1 4.383 0.020 . 1 . . . . 10 THR HB . 16709 1
69 . 1 1 10 10 THR HG21 H 1 1.270 0.020 . 1 . . . . 10 THR HG2 . 16709 1
70 . 1 1 10 10 THR HG22 H 1 1.270 0.020 . 1 . . . . 10 THR HG2 . 16709 1
71 . 1 1 10 10 THR HG23 H 1 1.270 0.020 . 1 . . . . 10 THR HG2 . 16709 1
72 . 1 1 10 10 THR CA C 13 64.229 0.400 . 1 . . . . 10 THR CA . 16709 1
73 . 1 1 10 10 THR CB C 13 65.645 0.400 . 1 . . . . 10 THR CB . 16709 1
74 . 1 1 10 10 THR CG2 C 13 19.256 0.400 . 1 . . . . 10 THR CG2 . 16709 1
75 . 1 1 11 11 CYS H H 1 8.018 0.020 . 1 . . . . 11 CYS H . 16709 1
76 . 1 1 11 11 CYS HA H 1 3.858 0.020 . 1 . . . . 11 CYS HA . 16709 1
77 . 1 1 11 11 CYS HB2 H 1 3.167 0.020 . 2 . . . . 11 CYS HB2 . 16709 1
78 . 1 1 11 11 CYS HB3 H 1 2.847 0.020 . 2 . . . . 11 CYS HB3 . 16709 1
79 . 1 1 11 11 CYS CA C 13 57.844 0.400 . 1 . . . . 11 CYS CA . 16709 1
80 . 1 1 11 11 CYS CB C 13 32.190 0.400 . 1 . . . . 11 CYS CB . 16709 1
81 . 1 1 12 12 ILE H H 1 8.197 0.020 . 1 . . . . 12 ILE H . 16709 1
82 . 1 1 12 12 ILE HA H 1 3.673 0.020 . 1 . . . . 12 ILE HA . 16709 1
83 . 1 1 12 12 ILE HB H 1 1.993 0.020 . 1 . . . . 12 ILE HB . 16709 1
84 . 1 1 12 12 ILE HD11 H 1 0.643 0.020 . 1 . . . . 12 ILE HD1 . 16709 1
85 . 1 1 12 12 ILE HD12 H 1 0.643 0.020 . 1 . . . . 12 ILE HD1 . 16709 1
86 . 1 1 12 12 ILE HD13 H 1 0.643 0.020 . 1 . . . . 12 ILE HD1 . 16709 1
87 . 1 1 12 12 ILE HG12 H 1 1.672 0.020 . 2 . . . . 12 ILE HG12 . 16709 1
88 . 1 1 12 12 ILE HG13 H 1 1.054 0.020 . 2 . . . . 12 ILE HG13 . 16709 1
89 . 1 1 12 12 ILE HG21 H 1 0.863 0.020 . 1 . . . . 12 ILE HG2 . 16709 1
90 . 1 1 12 12 ILE HG22 H 1 0.863 0.020 . 1 . . . . 12 ILE HG2 . 16709 1
91 . 1 1 12 12 ILE HG23 H 1 0.863 0.020 . 1 . . . . 12 ILE HG2 . 16709 1
92 . 1 1 12 12 ILE CA C 13 62.744 0.400 . 1 . . . . 12 ILE CA . 16709 1
93 . 1 1 12 12 ILE CB C 13 34.926 0.400 . 1 . . . . 12 ILE CB . 16709 1
94 . 1 1 12 12 ILE CD1 C 13 9.322 0.400 . 1 . . . . 12 ILE CD1 . 16709 1
95 . 1 1 12 12 ILE CG1 C 13 26.088 0.400 . 1 . . . . 12 ILE CG1 . 16709 1
96 . 1 1 12 12 ILE CG2 C 13 14.012 0.400 . 1 . . . . 12 ILE CG2 . 16709 1
97 . 1 1 13 13 DBU H H 1 9.576 0.020 . 1 . . . . 13 DBU H . 16709 1
98 . 1 1 13 13 DBU CB C 13 127.948 0.400 . 1 . . . . 13 DBU CB . 16709 1
99 . 1 1 13 13 DBU HB H 1 6.213 0.020 . 1 . . . . 13 DBU HB . 16709 1
100 . 1 1 13 13 DBU CG C 13 10.993 0.400 . 1 . . . . 13 DBU CG . 16709 1
101 . 1 1 13 13 DBU QG H 1 1.430 0.020 . 1 . . . . 13 DBU QG . 16709 1
102 . 1 1 14 14 ALA H H 1 7.931 0.020 . 1 . . . . 14 ALA H . 16709 1
103 . 1 1 14 14 ALA HA H 1 4.139 0.020 . 1 . . . . 14 ALA HA . 16709 1
104 . 1 1 14 14 ALA HB1 H 1 1.483 0.020 . 1 . . . . 14 ALA HB . 16709 1
105 . 1 1 14 14 ALA HB2 H 1 1.483 0.020 . 1 . . . . 14 ALA HB . 16709 1
106 . 1 1 14 14 ALA HB3 H 1 1.483 0.020 . 1 . . . . 14 ALA HB . 16709 1
107 . 1 1 14 14 ALA CA C 13 52.007 0.400 . 1 . . . . 14 ALA CA . 16709 1
108 . 1 1 14 14 ALA CB C 13 15.126 0.400 . 1 . . . . 14 ALA CB . 16709 1
109 . 1 1 15 15 GLY H H 1 7.931 0.020 . 1 . . . . 15 GLY H . 16709 1
110 . 1 1 15 15 GLY HA2 H 1 3.890 0.020 . 2 . . . . 15 GLY HA2 . 16709 1
111 . 1 1 15 15 GLY HA3 H 1 3.862 0.020 . 2 . . . . 15 GLY HA3 . 16709 1
112 . 1 1 15 15 GLY CA C 13 44.078 0.400 . 1 . . . . 15 GLY CA . 16709 1
113 . 1 1 16 16 VAL H H 1 8.270 0.020 . 1 . . . . 16 VAL H . 16709 1
114 . 1 1 16 16 VAL HA H 1 3.775 0.020 . 1 . . . . 16 VAL HA . 16709 1
115 . 1 1 16 16 VAL HB H 1 2.301 0.020 . 1 . . . . 16 VAL HB . 16709 1
116 . 1 1 16 16 VAL HG11 H 1 1.002 0.020 . 2 . . . . 16 VAL HG1 . 16709 1
117 . 1 1 16 16 VAL HG12 H 1 1.002 0.020 . 2 . . . . 16 VAL HG1 . 16709 1
118 . 1 1 16 16 VAL HG13 H 1 1.002 0.020 . 2 . . . . 16 VAL HG1 . 16709 1
119 . 1 1 16 16 VAL HG21 H 1 0.989 0.020 . 2 . . . . 16 VAL HG2 . 16709 1
120 . 1 1 16 16 VAL HG22 H 1 0.989 0.020 . 2 . . . . 16 VAL HG2 . 16709 1
121 . 1 1 16 16 VAL HG23 H 1 0.989 0.020 . 2 . . . . 16 VAL HG2 . 16709 1
122 . 1 1 16 16 VAL CA C 13 63.893 0.400 . 1 . . . . 16 VAL CA . 16709 1
123 . 1 1 16 16 VAL CB C 13 28.673 0.400 . 1 . . . . 16 VAL CB . 16709 1
124 . 1 1 16 16 VAL CG1 C 13 19.313 0.400 . 1 . . . . 16 VAL CG1 . 16709 1
125 . 1 1 16 16 VAL CG2 C 13 18.090 0.400 . 1 . . . . 16 VAL CG2 . 16709 1
126 . 1 1 17 17 DBU H H 1 9.439 0.020 . 1 . . . . 17 DBU H . 16709 1
127 . 1 1 17 17 DBU CB C 13 128.295 0.400 . 1 . . . . 17 DBU CB . 16709 1
128 . 1 1 17 17 DBU HB H 1 6.339 0.020 . 1 . . . . 17 DBU HB . 16709 1
129 . 1 1 17 17 DBU CG C 13 11.411 0.400 . 1 . . . . 17 DBU CG . 16709 1
130 . 1 1 17 17 DBU QG H 1 1.813 0.020 . 1 . . . . 17 DBU QG . 16709 1
131 . 1 1 18 18 VAL H H 1 7.935 0.020 . 1 . . . . 18 VAL H . 16709 1
132 . 1 1 18 18 VAL HA H 1 3.804 0.020 . 1 . . . . 18 VAL HA . 16709 1
133 . 1 1 18 18 VAL HB H 1 2.270 0.020 . 1 . . . . 18 VAL HB . 16709 1
134 . 1 1 18 18 VAL HG11 H 1 1.114 0.020 . 2 . . . . 18 VAL HG1 . 16709 1
135 . 1 1 18 18 VAL HG12 H 1 1.114 0.020 . 2 . . . . 18 VAL HG1 . 16709 1
136 . 1 1 18 18 VAL HG13 H 1 1.114 0.020 . 2 . . . . 18 VAL HG1 . 16709 1
137 . 1 1 18 18 VAL HG21 H 1 0.996 0.020 . 2 . . . . 18 VAL HG2 . 16709 1
138 . 1 1 18 18 VAL HG22 H 1 0.996 0.020 . 2 . . . . 18 VAL HG2 . 16709 1
139 . 1 1 18 18 VAL HG23 H 1 0.996 0.020 . 2 . . . . 18 VAL HG2 . 16709 1
140 . 1 1 18 18 VAL CA C 13 63.830 0.400 . 1 . . . . 18 VAL CA . 16709 1
141 . 1 1 18 18 VAL CB C 13 28.970 0.400 . 1 . . . . 18 VAL CB . 16709 1
142 . 1 1 18 18 VAL CG1 C 13 19.532 0.400 . 1 . . . . 18 VAL CG1 . 16709 1
143 . 1 1 18 18 VAL CG2 C 13 18.475 0.400 . 1 . . . . 18 VAL CG2 . 16709 1
144 . 1 1 19 19 DAL H H 1 8.620 0.020 . 1 . . . . 19 DAL H . 16709 1
145 . 1 1 19 19 DAL CA C 13 57.703 0.400 . 1 . . . . 19 DAL CA . 16709 1
146 . 1 1 19 19 DAL HA H 1 4.050 0.020 . 1 . . . . 19 DAL HA . 16709 1
147 . 1 1 19 19 DAL CB C 13 29.094 0.400 . 1 . . . . 19 DAL CB . 16709 1
148 . 1 1 19 19 DAL HB2 H 1 3.987 0.020 . 2 . . . . 19 DAL HB2 . 16709 1
149 . 1 1 19 19 DAL HB3 H 1 2.555 0.020 . 2 . . . . 19 DAL HB3 . 16709 1
150 . 1 1 20 20 ALA H H 1 8.671 0.020 . 1 . . . . 20 ALA H . 16709 1
151 . 1 1 20 20 ALA HA H 1 4.051 0.020 . 1 . . . . 20 ALA HA . 16709 1
152 . 1 1 20 20 ALA HB1 H 1 1.410 0.020 . 1 . . . . 20 ALA HB . 16709 1
153 . 1 1 20 20 ALA HB2 H 1 1.410 0.020 . 1 . . . . 20 ALA HB . 16709 1
154 . 1 1 20 20 ALA HB3 H 1 1.410 0.020 . 1 . . . . 20 ALA HB . 16709 1
155 . 1 1 20 20 ALA CA C 13 52.605 0.400 . 1 . . . . 20 ALA CA . 16709 1
156 . 1 1 20 20 ALA CB C 13 15.298 0.400 . 1 . . . . 20 ALA CB . 16709 1
157 . 1 1 21 21 SER H H 1 7.458 0.020 . 1 . . . . 21 SER H . 16709 1
158 . 1 1 21 21 SER HA H 1 4.583 0.020 . 1 . . . . 21 SER HA . 16709 1
159 . 1 1 21 21 SER HB2 H 1 3.934 0.020 . 2 . . . . 21 SER HB2 . 16709 1
160 . 1 1 21 21 SER HB3 H 1 3.840 0.020 . 2 . . . . 21 SER HB3 . 16709 1
161 . 1 1 21 21 SER CA C 13 57.580 0.400 . 1 . . . . 21 SER CA . 16709 1
162 . 1 1 21 21 SER CB C 13 62.393 0.400 . 1 . . . . 21 SER CB . 16709 1
163 . 1 1 22 22 LEU H H 1 8.190 0.020 . 1 . . . . 22 LEU H . 16709 1
164 . 1 1 22 22 LEU HA H 1 4.568 0.020 . 1 . . . . 22 LEU HA . 16709 1
165 . 1 1 22 22 LEU HB2 H 1 1.694 0.020 . 2 . . . . 22 LEU HB2 . 16709 1
166 . 1 1 22 22 LEU HB3 H 1 1.641 0.020 . 2 . . . . 22 LEU HB3 . 16709 1
167 . 1 1 22 22 LEU HD11 H 1 0.917 0.020 . 2 . . . . 22 LEU HD1 . 16709 1
168 . 1 1 22 22 LEU HD12 H 1 0.917 0.020 . 2 . . . . 22 LEU HD1 . 16709 1
169 . 1 1 22 22 LEU HD13 H 1 0.917 0.020 . 2 . . . . 22 LEU HD1 . 16709 1
170 . 1 1 22 22 LEU HD21 H 1 0.901 0.020 . 2 . . . . 22 LEU HD2 . 16709 1
171 . 1 1 22 22 LEU HD22 H 1 0.901 0.020 . 2 . . . . 22 LEU HD2 . 16709 1
172 . 1 1 22 22 LEU HD23 H 1 0.901 0.020 . 2 . . . . 22 LEU HD2 . 16709 1
173 . 1 1 22 22 LEU HG H 1 1.723 0.020 . 1 . . . . 22 LEU HG . 16709 1
174 . 1 1 22 22 LEU CA C 13 52.007 0.400 . 1 . . . . 22 LEU CA . 16709 1
175 . 1 1 22 22 LEU CB C 13 42.388 0.400 . 1 . . . . 22 LEU CB . 16709 1
176 . 1 1 22 22 LEU CD1 C 13 22.478 0.400 . 1 . . . . 22 LEU CD1 . 16709 1
177 . 1 1 22 22 LEU CD2 C 13 20.221 0.400 . 1 . . . . 22 LEU CD2 . 16709 1
178 . 1 1 22 22 LEU CG C 13 23.905 0.400 . 1 . . . . 22 LEU CG . 16709 1
179 . 1 1 23 23 CYS H H 1 9.022 0.020 . 1 . . . . 23 CYS H . 16709 1
180 . 1 1 23 23 CYS HA H 1 4.605 0.020 . 1 . . . . 23 CYS HA . 16709 1
181 . 1 1 23 23 CYS HB2 H 1 3.747 0.020 . 2 . . . . 23 CYS HB2 . 16709 1
182 . 1 1 23 23 CYS HB3 H 1 2.605 0.020 . 2 . . . . 23 CYS HB3 . 16709 1
183 . 1 1 23 23 CYS CA C 13 58.289 0.400 . 1 . . . . 23 CYS CA . 16709 1
184 . 1 1 23 23 CYS CB C 13 29.621 0.400 . 1 . . . . 23 CYS CB . 16709 1
185 . 1 1 24 24 PRO HA H 1 4.320 0.020 . 1 . . . . 24 PRO HA . 16709 1
186 . 1 1 24 24 PRO HB2 H 1 2.318 0.020 . 2 . . . . 24 PRO HB2 . 16709 1
187 . 1 1 24 24 PRO HB3 H 1 2.022 0.020 . 2 . . . . 24 PRO HB3 . 16709 1
188 . 1 1 24 24 PRO HD2 H 1 3.994 0.020 . 2 . . . . 24 PRO HD2 . 16709 1
189 . 1 1 24 24 PRO HD3 H 1 3.657 0.020 . 2 . . . . 24 PRO HD3 . 16709 1
190 . 1 1 24 24 PRO HG2 H 1 2.251 0.020 . 2 . . . . 24 PRO HG2 . 16709 1
191 . 1 1 24 24 PRO HG3 H 1 2.092 0.020 . 2 . . . . 24 PRO HG3 . 16709 1
192 . 1 1 24 24 PRO CA C 13 61.493 0.400 . 1 . . . . 24 PRO CA . 16709 1
193 . 1 1 24 24 PRO CB C 13 28.987 0.400 . 1 . . . . 24 PRO CB . 16709 1
194 . 1 1 24 24 PRO CD C 13 47.316 0.400 . 1 . . . . 24 PRO CD . 16709 1
195 . 1 1 24 24 PRO CG C 13 25.178 0.400 . 1 . . . . 24 PRO CG . 16709 1
196 . 1 1 25 25 ABA H H 1 8.393 0.020 . 1 . . . . 25 ABA H . 16709 1
197 . 1 1 25 25 ABA HA H 1 5.003 0.020 . 1 . . . . 25 ABA HA . 16709 1
198 . 1 1 25 25 ABA CB C 13 42.627 0.400 . 1 . . . . 25 ABA CB . 16709 1
199 . 1 1 25 25 ABA HB H 1 3.661 0.020 . 1 . . . . 25 ABA HB . 16709 1
200 . 1 1 25 25 ABA CG C 13 19.949 0.400 . 1 . . . . 25 ABA CG . 16709 1
201 . 1 1 25 25 ABA QG H 1 1.342 0.020 . 1 . . . . 25 ABA QG . 16709 1
202 . 1 1 26 26 DBU H H 1 9.684 0.020 . 1 . . . . 26 DBU H . 16709 1
203 . 1 1 26 26 DBU CB C 13 130.767 0.400 . 1 . . . . 26 DBU CB . 16709 1
204 . 1 1 26 26 DBU HB H 1 6.473 0.020 . 1 . . . . 26 DBU HB . 16709 1
205 . 1 1 26 26 DBU CG C 13 12.874 0.400 . 1 . . . . 26 DBU CG . 16709 1
206 . 1 1 26 26 DBU QG H 1 1.825 0.020 . 1 . . . . 26 DBU QG . 16709 1
207 . 1 1 27 27 LYS H H 1 8.138 0.020 . 1 . . . . 27 LYS H . 16709 1
208 . 1 1 27 27 LYS HA H 1 4.838 0.020 . 1 . . . . 27 LYS HA . 16709 1
209 . 1 1 27 27 LYS HB2 H 1 2.231 0.020 . 2 . . . . 27 LYS HB2 . 16709 1
210 . 1 1 27 27 LYS HB3 H 1 1.593 0.020 . 2 . . . . 27 LYS HB3 . 16709 1
211 . 1 1 27 27 LYS HD2 H 1 1.822 0.020 . 2 . . . . 27 LYS HD2 . 16709 1
212 . 1 1 27 27 LYS HD3 H 1 1.695 0.020 . 2 . . . . 27 LYS HD3 . 16709 1
213 . 1 1 27 27 LYS HE2 H 1 3.021 0.020 . 2 . . . . 27 LYS HE2 . 16709 1
214 . 1 1 27 27 LYS HE3 H 1 3.021 0.020 . 2 . . . . 27 LYS HE3 . 16709 1
215 . 1 1 27 27 LYS HG2 H 1 1.558 0.020 . 2 . . . . 27 LYS HG2 . 16709 1
216 . 1 1 27 27 LYS HG3 H 1 1.514 0.020 . 2 . . . . 27 LYS HG3 . 16709 1
217 . 1 1 27 27 LYS HZ1 H 1 7.813 0.020 . 1 . . . . 27 LYS HZ1 . 16709 1
218 . 1 1 27 27 LYS HZ2 H 1 7.813 0.020 . 1 . . . . 27 LYS HZ2 . 16709 1
219 . 1 1 27 27 LYS HZ3 H 1 7.813 0.020 . 1 . . . . 27 LYS HZ3 . 16709 1
220 . 1 1 27 27 LYS CB C 13 29.790 0.400 . 1 . . . . 27 LYS CB . 16709 1
221 . 1 1 27 27 LYS CD C 13 26.606 0.400 . 1 . . . . 27 LYS CD . 16709 1
222 . 1 1 27 27 LYS CE C 13 39.558 0.400 . 1 . . . . 27 LYS CE . 16709 1
223 . 1 1 27 27 LYS CG C 13 22.362 0.400 . 1 . . . . 27 LYS CG . 16709 1
224 . 1 1 28 28 CYS H H 1 8.049 0.020 . 1 . . . . 28 CYS H . 16709 1
225 . 1 1 28 28 CYS HA H 1 4.433 0.020 . 1 . . . . 28 CYS HA . 16709 1
226 . 1 1 28 28 CYS HB2 H 1 3.512 0.020 . 2 . . . . 28 CYS HB2 . 16709 1
227 . 1 1 28 28 CYS HB3 H 1 3.184 0.020 . 2 . . . . 28 CYS HB3 . 16709 1
228 . 1 1 28 28 CYS CA C 13 53.448 0.400 . 1 . . . . 28 CYS CA . 16709 1
229 . 1 1 28 28 CYS CB C 13 33.091 0.400 . 1 . . . . 28 CYS CB . 16709 1
230 . 1 1 30 30 SER H H 1 8.213 0.020 . 1 . . . . 30 SER H . 16709 1
231 . 1 1 30 30 SER HA H 1 4.179 0.020 . 1 . . . . 30 SER HA . 16709 1
232 . 1 1 30 30 SER HB2 H 1 3.871 0.020 . 2 . . . . 30 SER HB2 . 16709 1
233 . 1 1 30 30 SER HB3 H 1 3.740 0.020 . 2 . . . . 30 SER HB3 . 16709 1
234 . 1 1 30 30 SER CA C 13 59.776 0.400 . 1 . . . . 30 SER CA . 16709 1
235 . 1 1 30 30 SER CB C 13 60.422 0.400 . 1 . . . . 30 SER CB . 16709 1
236 . 1 1 31 31 ARG H H 1 7.992 0.020 . 1 . . . . 31 ARG H . 16709 1
237 . 1 1 31 31 ARG HA H 1 4.652 0.020 . 1 . . . . 31 ARG HA . 16709 1
238 . 1 1 31 31 ARG HB2 H 1 2.179 0.020 . 2 . . . . 31 ARG HB2 . 16709 1
239 . 1 1 31 31 ARG HB3 H 1 1.638 0.020 . 2 . . . . 31 ARG HB3 . 16709 1
240 . 1 1 31 31 ARG HD2 H 1 3.314 0.020 . 2 . . . . 31 ARG HD2 . 16709 1
241 . 1 1 31 31 ARG HD3 H 1 3.314 0.020 . 2 . . . . 31 ARG HD3 . 16709 1
242 . 1 1 31 31 ARG HE H 1 7.476 0.020 . 1 . . . . 31 ARG HE . 16709 1
243 . 1 1 31 31 ARG HG2 H 1 1.720 0.020 . 2 . . . . 31 ARG HG2 . 16709 1
244 . 1 1 31 31 ARG HG3 H 1 1.637 0.020 . 2 . . . . 31 ARG HG3 . 16709 1
245 . 1 1 31 31 ARG CA C 13 51.611 0.400 . 1 . . . . 31 ARG CA . 16709 1
246 . 1 1 31 31 ARG CB C 13 26.941 0.400 . 1 . . . . 31 ARG CB . 16709 1
247 . 1 1 31 31 ARG CD C 13 40.625 0.400 . 1 . . . . 31 ARG CD . 16709 1
248 . 1 1 31 31 ARG CG C 13 24.751 0.400 . 1 . . . . 31 ARG CG . 16709 1
249 . 1 1 32 32 CYS H H 1 7.477 0.020 . 1 . . . . 32 CYS H . 16709 1
250 . 1 1 32 32 CYS HA H 1 4.167 0.020 . 1 . . . . 32 CYS HA . 16709 1
251 . 1 1 32 32 CYS HB2 H 1 3.704 0.020 . 2 . . . . 32 CYS HB2 . 16709 1
252 . 1 1 32 32 CYS HB3 H 1 2.949 0.020 . 2 . . . . 32 CYS HB3 . 16709 1
253 . 1 1 32 32 CYS CA C 13 59.680 0.400 . 1 . . . . 32 CYS CA . 16709 1
254 . 1 1 32 32 CYS CB C 13 36.982 0.400 . 1 . . . . 32 CYS CB . 16709 1
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