###################################
# 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 12020
_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-15N HSQC' 1 $sample_1 isotropic 12020 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 12020 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 12020 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 5 5 SER H H 1 8.775 0.02 . 1 . . . . . 2 SER H . 12020 1
2 . 1 1 5 5 SER HA H 1 4.517 0.02 . 1 . . . . . 2 SER HA . 12020 1
3 . 1 1 5 5 SER HB2 H 1 3.906 0.02 . 2 . . . . . 2 SER HB2 . 12020 1
4 . 1 1 5 5 SER HB3 H 1 3.906 0.02 . 2 . . . . . 2 SER HB3 . 12020 1
5 . 1 1 5 5 SER N N 15 116.039 0.3 . 1 . . . . . 2 SER N . 12020 1
6 . 1 1 6 6 LEU H H 1 8.274 0.02 . 1 . . . . . 3 LEU H . 12020 1
7 . 1 1 6 6 LEU HA H 1 4.330 0.02 . 1 . . . . . 3 LEU HA . 12020 1
8 . 1 1 6 6 LEU HB2 H 1 1.706 0.02 . 1 . . . . . 3 LEU HB2 . 12020 1
9 . 1 1 6 6 LEU HB3 H 1 1.625 0.02 . 1 . . . . . 3 LEU HB3 . 12020 1
10 . 1 1 6 6 LEU HG H 1 1.281 0.02 . 1 . . . . . 3 LEU HG . 12020 1
11 . 1 1 6 6 LEU N N 15 123.882 0.3 . 1 . . . . . 3 LEU N . 12020 1
12 . 1 1 7 7 GLY H H 1 8.046 0.02 . 1 . . . . . 4 GLY H . 12020 1
13 . 1 1 7 7 GLY HA2 H 1 4.008 0.02 . 1 . . . . . 4 GLY HA2 . 12020 1
14 . 1 1 7 7 GLY HA3 H 1 3.747 0.02 . 1 . . . . . 4 GLY HA3 . 12020 1
15 . 1 1 7 7 GLY N N 15 107.644 0.3 . 1 . . . . . 4 GLY N . 12020 1
16 . 1 1 8 8 ARG H H 1 8.362 0.02 . 1 . . . . . 5 ARG H . 12020 1
17 . 1 1 8 8 ARG HA H 1 4.642 0.02 . 1 . . . . . 5 ARG HA . 12020 1
18 . 1 1 8 8 ARG HB2 H 1 1.804 0.02 . 1 . . . . . 5 ARG HB2 . 12020 1
19 . 1 1 8 8 ARG HB3 H 1 1.735 0.02 . 1 . . . . . 5 ARG HB3 . 12020 1
20 . 1 1 8 8 ARG HD2 H 1 3.164 0.02 . 2 . . . . . 5 ARG HD2 . 12020 1
21 . 1 1 8 8 ARG HD3 H 1 3.164 0.02 . 2 . . . . . 5 ARG HD3 . 12020 1
22 . 1 1 8 8 ARG HG2 H 1 1.550 0.02 . 1 . . . . . 5 ARG HG2 . 12020 1
23 . 1 1 8 8 ARG HG3 H 1 1.606 0.02 . 1 . . . . . 5 ARG HG3 . 12020 1
24 . 1 1 8 8 ARG N N 15 119.362 0.3 . 1 . . . . . 5 ARG N . 12020 1
25 . 1 1 9 9 GLU H H 1 8.599 0.02 . 1 . . . . . 6 GLU H . 12020 1
26 . 1 1 9 9 GLU HA H 1 4.281 0.02 . 1 . . . . . 6 GLU HA . 12020 1
27 . 1 1 9 9 GLU HB2 H 1 1.984 0.02 . 1 . . . . . 6 GLU HB2 . 12020 1
28 . 1 1 9 9 GLU HB3 H 1 1.906 0.02 . 1 . . . . . 6 GLU HB3 . 12020 1
29 . 1 1 9 9 GLU HG2 H 1 2.488 0.02 . 1 . . . . . 6 GLU HG2 . 12020 1
30 . 1 1 9 9 GLU HG3 H 1 2.424 0.02 . 1 . . . . . 6 GLU HG3 . 12020 1
31 . 1 1 9 9 GLU N N 15 121.909 0.3 . 1 . . . . . 6 GLU N . 12020 1
32 . 1 1 10 10 ALA H H 1 8.870 0.02 . 1 . . . . . 7 ALA H . 12020 1
33 . 1 1 10 10 ALA HA H 1 4.228 0.02 . 1 . . . . . 7 ALA HA . 12020 1
34 . 1 1 10 10 ALA HB1 H 1 1.306 0.02 . 1 . . . . . 7 ALA MB . 12020 1
35 . 1 1 10 10 ALA HB2 H 1 1.306 0.02 . 1 . . . . . 7 ALA MB . 12020 1
36 . 1 1 10 10 ALA HB3 H 1 1.306 0.02 . 1 . . . . . 7 ALA MB . 12020 1
37 . 1 1 10 10 ALA N N 15 127.184 0.3 . 1 . . . . . 7 ALA N . 12020 1
38 . 1 1 11 11 LYS H H 1 8.524 0.02 . 1 . . . . . 8 LYS H . 12020 1
39 . 1 1 11 11 LYS HA H 1 4.338 0.02 . 1 . . . . . 8 LYS HA . 12020 1
40 . 1 1 11 11 LYS HB2 H 1 1.649 0.02 . 2 . . . . . 8 LYS HB2 . 12020 1
41 . 1 1 11 11 LYS HB3 H 1 1.649 0.02 . 2 . . . . . 8 LYS HB3 . 12020 1
42 . 1 1 11 11 LYS HD2 H 1 1.326 0.02 . 2 . . . . . 8 LYS HD2 . 12020 1
43 . 1 1 11 11 LYS HD3 H 1 1.326 0.02 . 2 . . . . . 8 LYS HD3 . 12020 1
44 . 1 1 11 11 LYS HG2 H 1 1.402 0.02 . 2 . . . . . 8 LYS HG2 . 12020 1
45 . 1 1 11 11 LYS HG3 H 1 1.402 0.02 . 2 . . . . . 8 LYS HG3 . 12020 1
46 . 1 1 12 12 CYS H H 1 8.260 0.02 . 1 . . . . . 9 CYS H . 12020 1
47 . 1 1 12 12 CYS HA H 1 4.786 0.02 . 1 . . . . . 9 CYS HA . 12020 1
48 . 1 1 12 12 CYS HB2 H 1 2.829 0.02 . 2 . . . . . 9 CYS HB2 . 12020 1
49 . 1 1 12 12 CYS HB3 H 1 2.829 0.02 . 2 . . . . . 9 CYS HB3 . 12020 1
50 . 1 1 12 12 CYS N N 15 120.112 0.3 . 1 . . . . . 9 CYS N . 12020 1
51 . 1 1 13 13 TYR H H 1 8.056 0.02 . 1 . . . . . 10 TYR H . 12020 1
52 . 1 1 13 13 TYR HA H 1 4.580 0.02 . 1 . . . . . 10 TYR HA . 12020 1
53 . 1 1 13 13 TYR HB2 H 1 3.138 0.02 . 1 . . . . . 10 TYR HB2 . 12020 1
54 . 1 1 13 13 TYR HB3 H 1 2.933 0.02 . 1 . . . . . 10 TYR HB3 . 12020 1
55 . 1 1 13 13 TYR HD1 H 1 7.721 0.02 . 3 . . . . . 10 TYR HD1 . 12020 1
56 . 1 1 13 13 TYR HD2 H 1 7.721 0.02 . 3 . . . . . 10 TYR HD2 . 12020 1
57 . 1 1 13 13 TYR N N 15 120.757 0.3 . 1 . . . . . 10 TYR N . 12020 1
58 . 1 1 14 14 ASN H H 1 8.526 0.02 . 1 . . . . . 11 ASN H . 12020 1
59 . 1 1 14 14 ASN HA H 1 4.622 0.02 . 1 . . . . . 11 ASN HA . 12020 1
60 . 1 1 14 14 ASN HB2 H 1 2.950 0.02 . 1 . . . . . 11 ASN HB2 . 12020 1
61 . 1 1 14 14 ASN HB3 H 1 2.737 0.02 . 1 . . . . . 11 ASN HB3 . 12020 1
62 . 1 1 14 14 ASN N N 15 119.307 0.3 . 1 . . . . . 11 ASN N . 12020 1
63 . 1 1 15 15 GLU H H 1 8.161 0.02 . 1 . . . . . 12 GLU H . 12020 1
64 . 1 1 15 15 GLU HA H 1 4.463 0.02 . 1 . . . . . 12 GLU HA . 12020 1
65 . 1 1 15 15 GLU HB2 H 1 2.204 0.02 . 1 . . . . . 12 GLU HB2 . 12020 1
66 . 1 1 15 15 GLU HB3 H 1 1.990 0.02 . 1 . . . . . 12 GLU HB3 . 12020 1
67 . 1 1 15 15 GLU HG2 H 1 2.453 0.02 . 1 . . . . . 12 GLU HG2 . 12020 1
68 . 1 1 15 15 GLU N N 15 119.959 0.3 . 1 . . . . . 12 GLU N . 12020 1
69 . 1 1 16 16 LEU H H 1 8.306 0.02 . 1 . . . . . 13 LEU H . 12020 1
70 . 1 1 16 16 LEU HA H 1 4.245 0.02 . 1 . . . . . 13 LEU HA . 12020 1
71 . 1 1 16 16 LEU HB2 H 1 1.620 0.02 . 1 . . . . . 13 LEU HB2 . 12020 1
72 . 1 1 16 16 LEU HB3 H 1 1.620 0.02 . 1 . . . . . 13 LEU HB3 . 12020 1
73 . 1 1 16 16 LEU HD11 H 1 0.923 0.02 . 1 . . . . . 13 LEU MD1 . 12020 1
74 . 1 1 16 16 LEU HD12 H 1 0.923 0.02 . 1 . . . . . 13 LEU MD1 . 12020 1
75 . 1 1 16 16 LEU HD13 H 1 0.923 0.02 . 1 . . . . . 13 LEU MD1 . 12020 1
76 . 1 1 16 16 LEU HD21 H 1 0.875 0.02 . 1 . . . . . 13 LEU MD2 . 12020 1
77 . 1 1 16 16 LEU HD22 H 1 0.875 0.02 . 1 . . . . . 13 LEU MD2 . 12020 1
78 . 1 1 16 16 LEU HD23 H 1 0.875 0.02 . 1 . . . . . 13 LEU MD2 . 12020 1
79 . 1 1 16 16 LEU HG H 1 1.620 0.02 . 1 . . . . . 13 LEU HG . 12020 1
80 . 1 1 16 16 LEU N N 15 122.203 0.3 . 1 . . . . . 13 LEU N . 12020 1
81 . 1 1 17 17 ASN H H 1 8.401 0.02 . 1 . . . . . 14 ASN H . 12020 1
82 . 1 1 17 17 ASN HA H 1 4.743 0.02 . 1 . . . . . 14 ASN HA . 12020 1
83 . 1 1 17 17 ASN HB2 H 1 2.890 0.02 . 1 . . . . . 14 ASN HB2 . 12020 1
84 . 1 1 17 17 ASN HB3 H 1 2.740 0.02 . 1 . . . . . 14 ASN HB3 . 12020 1
85 . 1 1 17 17 ASN N N 15 117.211 0.3 . 1 . . . . . 14 ASN N . 12020 1
86 . 1 1 18 18 GLY H H 1 7.899 0.02 . 1 . . . . . 15 GLY H . 12020 1
87 . 1 1 18 18 GLY HA2 H 1 4.026 0.02 . 1 . . . . . 15 GLY HA2 . 12020 1
88 . 1 1 18 18 GLY HA3 H 1 3.721 0.02 . 1 . . . . . 15 GLY HA3 . 12020 1
89 . 1 1 18 18 GLY N N 15 107.941 0.3 . 1 . . . . . 15 GLY N . 12020 1
90 . 1 1 19 19 CYS H H 1 8.235 0.02 . 1 . . . . . 16 CYS H . 12020 1
91 . 1 1 19 19 CYS HA H 1 4.892 0.02 . 1 . . . . . 16 CYS HA . 12020 1
92 . 1 1 19 19 CYS HB2 H 1 3.291 0.02 . 1 . . . . . 16 CYS HB2 . 12020 1
93 . 1 1 19 19 CYS HB3 H 1 2.740 0.02 . 1 . . . . . 16 CYS HB3 . 12020 1
94 . 1 1 19 19 CYS N N 15 117.803 0.3 . 1 . . . . . 16 CYS N . 12020 1
95 . 1 1 20 20 THR H H 1 8.258 0.02 . 1 . . . . . 17 THR H . 12020 1
96 . 1 1 20 20 THR HA H 1 4.364 0.02 . 1 . . . . . 17 THR HA . 12020 1
97 . 1 1 20 20 THR HB H 1 4.347 0.02 . 1 . . . . . 17 THR HB . 12020 1
98 . 1 1 20 20 THR HG21 H 1 1.281 0.02 . 1 . . . . . 17 THR HG1 . 12020 1
99 . 1 1 20 20 THR HG22 H 1 1.281 0.02 . 1 . . . . . 17 THR HG1 . 12020 1
100 . 1 1 20 20 THR HG23 H 1 1.281 0.02 . 1 . . . . . 17 THR HG1 . 12020 1
101 . 1 1 20 20 THR N N 15 114.596 0.3 . 1 . . . . . 17 THR N . 12020 1
102 . 1 1 21 21 LYS H H 1 8.425 0.02 . 1 . . . . . 18 LYS H . 12020 1
103 . 1 1 21 21 LYS HA H 1 4.332 0.02 . 1 . . . . . 18 LYS HA . 12020 1
104 . 1 1 21 21 LYS HB2 H 1 2.006 0.02 . 2 . . . . . 18 LYS HB2 . 12020 1
105 . 1 1 21 21 LYS HB3 H 1 2.006 0.02 . 2 . . . . . 18 LYS HB3 . 12020 1
106 . 1 1 21 21 LYS HD2 H 1 1.698 0.02 . 1 . . . . . 18 LYS HD2 . 12020 1
107 . 1 1 21 21 LYS HD3 H 1 1.670 0.02 . 1 . . . . . 18 LYS HD3 . 12020 1
108 . 1 1 21 21 LYS HG2 H 1 1.474 0.02 . 1 . . . . . 18 LYS HG2 . 12020 1
109 . 1 1 21 21 LYS HG3 H 1 1.387 0.02 . 1 . . . . . 18 LYS HG3 . 12020 1
110 . 1 1 21 21 LYS N N 15 121.945 0.3 . 1 . . . . . 18 LYS N . 12020 1
111 . 1 1 22 22 ILE H H 1 7.417 0.02 . 1 . . . . . 19 ILE H . 12020 1
112 . 1 1 22 22 ILE HA H 1 4.061 0.02 . 1 . . . . . 19 ILE HA . 12020 1
113 . 1 1 22 22 ILE HB H 1 1.817 0.02 . 1 . . . . . 19 ILE HB . 12020 1
114 . 1 1 22 22 ILE HD11 H 1 0.896 0.02 . 1 . . . . . 19 ILE MD . 12020 1
115 . 1 1 22 22 ILE HD12 H 1 0.896 0.02 . 1 . . . . . 19 ILE MD . 12020 1
116 . 1 1 22 22 ILE HD13 H 1 0.896 0.02 . 1 . . . . . 19 ILE MD . 12020 1
117 . 1 1 23 23 TYR H H 1 8.839 0.02 . 1 . . . . . 20 TYR H . 12020 1
118 . 1 1 23 23 TYR HA H 1 4.787 0.02 . 1 . . . . . 20 TYR HA . 12020 1
119 . 1 1 23 23 TYR HB2 H 1 3.105 0.02 . 1 . . . . . 20 TYR HB2 . 12020 1
120 . 1 1 23 23 TYR HB3 H 1 2.958 0.02 . 1 . . . . . 20 TYR HB3 . 12020 1
121 . 1 1 24 24 ASP H H 1 8.660 0.02 . 1 . . . . . 21 ASP H . 12020 1
122 . 1 1 24 24 ASP HA H 1 4.852 0.02 . 1 . . . . . 21 ASP HA . 12020 1
123 . 1 1 24 24 ASP HB2 H 1 2.815 0.02 . 1 . . . . . 21 ASP HB2 . 12020 1
124 . 1 1 24 24 ASP HB3 H 1 2.650 0.02 . 1 . . . . . 21 ASP HB3 . 12020 1
125 . 1 1 24 24 ASP N N 15 121.088 0.3 . 1 . . . . . 21 ASP N . 12020 1
126 . 1 1 25 25 PRO HA H 1 4.440 0.02 . 1 . . . . . 22 PRO HA . 12020 1
127 . 1 1 25 25 PRO HB2 H 1 1.746 0.02 . 2 . . . . . 22 PRO HB2 . 12020 1
128 . 1 1 25 25 PRO HB3 H 1 1.746 0.02 . 2 . . . . . 22 PRO HB3 . 12020 1
129 . 1 1 25 25 PRO HD2 H 1 3.366 0.02 . 2 . . . . . 22 PRO HD2 . 12020 1
130 . 1 1 25 25 PRO HD3 H 1 3.366 0.02 . 2 . . . . . 22 PRO HD3 . 12020 1
131 . 1 1 25 25 PRO HG2 H 1 1.642 0.02 . 2 . . . . . 22 PRO HG2 . 12020 1
132 . 1 1 25 25 PRO HG3 H 1 1.642 0.02 . 2 . . . . . 22 PRO HG3 . 12020 1
133 . 1 1 26 26 VAL H H 1 8.196 0.02 . 1 . . . . . 23 VAL H . 12020 1
134 . 1 1 26 26 VAL HA H 1 4.700 0.02 . 1 . . . . . 23 VAL HA . 12020 1
135 . 1 1 26 26 VAL HB H 1 2.102 0.02 . 1 . . . . . 23 VAL HB . 12020 1
136 . 1 1 26 26 VAL HG11 H 1 0.940 0.02 . 1 . . . . . 23 VAL HG1 . 12020 1
137 . 1 1 26 26 VAL HG12 H 1 0.940 0.02 . 1 . . . . . 23 VAL HG1 . 12020 1
138 . 1 1 26 26 VAL HG13 H 1 0.940 0.02 . 1 . . . . . 23 VAL HG1 . 12020 1
139 . 1 1 26 26 VAL HG21 H 1 0.655 0.02 . 1 . . . . . 23 VAL HG2 . 12020 1
140 . 1 1 26 26 VAL HG22 H 1 0.655 0.02 . 1 . . . . . 23 VAL HG2 . 12020 1
141 . 1 1 26 26 VAL HG23 H 1 0.655 0.02 . 1 . . . . . 23 VAL HG2 . 12020 1
142 . 1 1 26 26 VAL N N 15 109.986 0.3 . 1 . . . . . 23 VAL N . 12020 1
143 . 1 1 27 27 CYS H H 1 8.574 0.02 . 1 . . . . . 24 CYS H . 12020 1
144 . 1 1 27 27 CYS HA H 1 5.360 0.02 . 1 . . . . . 24 CYS HA . 12020 1
145 . 1 1 27 27 CYS HB2 H 1 2.919 0.02 . 1 . . . . . 24 CYS HB2 . 12020 1
146 . 1 1 27 27 CYS HB3 H 1 2.781 0.02 . 1 . . . . . 24 CYS HB3 . 12020 1
147 . 1 1 27 27 CYS N N 15 121.973 0.3 . 1 . . . . . 24 CYS N . 12020 1
148 . 1 1 28 28 GLY H H 1 9.716 0.02 . 1 . . . . . 25 GLY H . 12020 1
149 . 1 1 28 28 GLY HA2 H 1 5.209 0.02 . 1 . . . . . 25 GLY HA2 . 12020 1
150 . 1 1 28 28 GLY HA3 H 1 4.283 0.02 . 1 . . . . . 25 GLY HA3 . 12020 1
151 . 1 1 28 28 GLY N N 15 116.143 0.3 . 1 . . . . . 25 GLY N . 12020 1
152 . 1 1 29 29 THR H H 1 9.050 0.02 . 1 . . . . . 26 THR H . 12020 1
153 . 1 1 29 29 THR HA H 1 4.192 0.02 . 1 . . . . . 26 THR HA . 12020 1
154 . 1 1 29 29 THR N N 15 114.157 0.3 . 1 . . . . . 26 THR N . 12020 1
155 . 1 1 30 30 ASP H H 1 8.451 0.02 . 1 . . . . . 27 ASP H . 12020 1
156 . 1 1 30 30 ASP HA H 1 4.549 0.02 . 1 . . . . . 27 ASP HA . 12020 1
157 . 1 1 30 30 ASP HB2 H 1 3.036 0.02 . 1 . . . . . 27 ASP HB2 . 12020 1
158 . 1 1 30 30 ASP HB3 H 1 2.743 0.02 . 1 . . . . . 27 ASP HB3 . 12020 1
159 . 1 1 30 30 ASP N N 15 118.451 0.3 . 1 . . . . . 27 ASP N . 12020 1
160 . 1 1 31 31 GLY H H 1 8.327 0.02 . 1 . . . . . 28 GLY H . 12020 1
161 . 1 1 31 31 GLY HA2 H 1 4.135 0.02 . 1 . . . . . 28 GLY HA2 . 12020 1
162 . 1 1 31 31 GLY HA3 H 1 3.747 0.02 . 1 . . . . . 28 GLY HA3 . 12020 1
163 . 1 1 31 31 GLY N N 15 108.622 0.3 . 1 . . . . . 28 GLY N . 12020 1
164 . 1 1 32 32 ASN H H 1 7.894 0.02 . 1 . . . . . 29 ASN H . 12020 1
165 . 1 1 32 32 ASN HA H 1 4.955 0.02 . 1 . . . . . 29 ASN HA . 12020 1
166 . 1 1 32 32 ASN HB2 H 1 2.809 0.02 . 1 . . . . . 29 ASN HB2 . 12020 1
167 . 1 1 32 32 ASN HB3 H 1 2.160 0.02 . 1 . . . . . 29 ASN HB3 . 12020 1
168 . 1 1 32 32 ASN N N 15 118.181 0.3 . 1 . . . . . 29 ASN N . 12020 1
169 . 1 1 33 33 THR H H 1 8.656 0.02 . 1 . . . . . 30 THR H . 12020 1
170 . 1 1 33 33 THR HA H 1 4.882 0.02 . 1 . . . . . 30 THR HA . 12020 1
171 . 1 1 33 33 THR HB H 1 4.005 0.02 . 1 . . . . . 30 THR HB . 12020 1
172 . 1 1 33 33 THR HG21 H 1 1.141 0.02 . 1 . . . . . 30 THR HG1 . 12020 1
173 . 1 1 33 33 THR HG22 H 1 1.141 0.02 . 1 . . . . . 30 THR HG1 . 12020 1
174 . 1 1 33 33 THR HG23 H 1 1.141 0.02 . 1 . . . . . 30 THR HG1 . 12020 1
175 . 1 1 33 33 THR N N 15 121.088 0.3 . 1 . . . . . 30 THR N . 12020 1
176 . 1 1 34 34 TYR H H 1 9.576 0.02 . 1 . . . . . 31 TYR H . 12020 1
177 . 1 1 34 34 TYR HA H 1 4.764 0.02 . 1 . . . . . 31 TYR HA . 12020 1
178 . 1 1 34 34 TYR HB2 H 1 2.733 0.02 . 1 . . . . . 31 TYR HB2 . 12020 1
179 . 1 1 34 34 TYR HB3 H 1 2.676 0.02 . 1 . . . . . 31 TYR HB3 . 12020 1
180 . 1 1 34 34 TYR N N 15 128.833 0.3 . 1 . . . . . 31 TYR N . 12020 1
181 . 1 1 35 35 PRO HA H 1 4.161 0.02 . 1 . . . . . 32 PRO HA . 12020 1
182 . 1 1 35 35 PRO HB2 H 1 2.359 0.02 . 2 . . . . . 32 PRO HB2 . 12020 1
183 . 1 1 35 35 PRO HB3 H 1 2.359 0.02 . 2 . . . . . 32 PRO HB3 . 12020 1
184 . 1 1 35 35 PRO HD2 H 1 3.323 0.02 . 2 . . . . . 32 PRO HD2 . 12020 1
185 . 1 1 35 35 PRO HD3 H 1 3.323 0.02 . 2 . . . . . 32 PRO HD3 . 12020 1
186 . 1 1 35 35 PRO HG2 H 1 2.218 0.02 . 2 . . . . . 32 PRO HG2 . 12020 1
187 . 1 1 35 35 PRO HG3 H 1 2.218 0.02 . 2 . . . . . 32 PRO HG3 . 12020 1
188 . 1 1 36 36 ASN H H 1 7.037 0.02 . 1 . . . . . 33 ASN H . 12020 1
189 . 1 1 36 36 ASN HA H 1 4.803 0.02 . 1 . . . . . 33 ASN HA . 12020 1
190 . 1 1 36 36 ASN HB2 H 1 3.380 0.02 . 1 . . . . . 33 ASN HB2 . 12020 1
191 . 1 1 36 36 ASN HB3 H 1 3.079 0.02 . 1 . . . . . 33 ASN HB3 . 12020 1
192 . 1 1 36 36 ASN N N 15 116.866 0.3 . 1 . . . . . 33 ASN N . 12020 1
193 . 1 1 37 37 GLU H H 1 9.314 0.02 . 1 . . . . . 34 GLU H . 12020 1
194 . 1 1 37 37 GLU HA H 1 3.838 0.02 . 1 . . . . . 34 GLU HA . 12020 1
195 . 1 1 37 37 GLU HB2 H 1 2.199 0.02 . 1 . . . . . 34 GLU HB2 . 12020 1
196 . 1 1 37 37 GLU HB3 H 1 2.139 0.02 . 1 . . . . . 34 GLU HB3 . 12020 1
197 . 1 1 37 37 GLU HG2 H 1 2.469 0.02 . 2 . . . . . 34 GLU HG2 . 12020 1
198 . 1 1 37 37 GLU HG3 H 1 2.469 0.02 . 2 . . . . . 34 GLU HG3 . 12020 1
199 . 1 1 37 37 GLU N N 15 117.984 0.3 . 1 . . . . . 34 GLU N . 12020 1
200 . 1 1 38 38 CYS H H 1 8.297 0.02 . 1 . . . . . 35 CYS H . 12020 1
201 . 1 1 38 38 CYS HA H 1 4.845 0.02 . 1 . . . . . 35 CYS HA . 12020 1
202 . 1 1 38 38 CYS HB2 H 1 3.446 0.02 . 1 . . . . . 35 CYS HB2 . 12020 1
203 . 1 1 38 38 CYS HB3 H 1 3.081 0.02 . 1 . . . . . 35 CYS HB3 . 12020 1
204 . 1 1 38 38 CYS N N 15 122.451 0.3 . 1 . . . . . 35 CYS N . 12020 1
205 . 1 1 39 39 VAL H H 1 8.462 0.02 . 1 . . . . . 36 VAL H . 12020 1
206 . 1 1 39 39 VAL HA H 1 3.755 0.02 . 1 . . . . . 36 VAL HA . 12020 1
207 . 1 1 39 39 VAL HB H 1 2.020 0.02 . 1 . . . . . 36 VAL HB . 12020 1
208 . 1 1 39 39 VAL HG11 H 1 1.284 0.02 . 1 . . . . . 36 VAL MG1 . 12020 1
209 . 1 1 39 39 VAL HG12 H 1 1.284 0.02 . 1 . . . . . 36 VAL MG1 . 12020 1
210 . 1 1 39 39 VAL HG13 H 1 1.284 0.02 . 1 . . . . . 36 VAL MG1 . 12020 1
211 . 1 1 39 39 VAL HG21 H 1 1.211 0.02 . 1 . . . . . 36 VAL MG2 . 12020 1
212 . 1 1 39 39 VAL HG22 H 1 1.211 0.02 . 1 . . . . . 36 VAL MG2 . 12020 1
213 . 1 1 39 39 VAL HG23 H 1 1.211 0.02 . 1 . . . . . 36 VAL MG2 . 12020 1
214 . 1 1 39 39 VAL N N 15 122.065 0.3 . 1 . . . . . 36 VAL N . 12020 1
215 . 1 1 40 40 LEU H H 1 7.058 0.02 . 1 . . . . . 37 LEU H . 12020 1
216 . 1 1 40 40 LEU HA H 1 3.656 0.02 . 1 . . . . . 37 LEU HA . 12020 1
217 . 1 1 40 40 LEU HB2 H 1 1.747 0.02 . 1 . . . . . 37 LEU HB2 . 12020 1
218 . 1 1 40 40 LEU HB3 H 1 0.706 0.02 . 1 . . . . . 37 LEU HB3 . 12020 1
219 . 1 1 40 40 LEU HG H 1 1.007 0.02 . 1 . . . . . 37 LEU HG . 12020 1
220 . 1 1 41 41 CYS H H 1 8.261 0.02 . 1 . . . . . 38 CYS H . 12020 1
221 . 1 1 41 41 CYS HA H 1 4.188 0.02 . 1 . . . . . 38 CYS HA . 12020 1
222 . 1 1 41 41 CYS HB2 H 1 3.462 0.02 . 1 . . . . . 38 CYS HB2 . 12020 1
223 . 1 1 41 41 CYS HB3 H 1 3.204 0.02 . 1 . . . . . 38 CYS HB3 . 12020 1
224 . 1 1 41 41 CYS N N 15 118.178 0.3 . 1 . . . . . 38 CYS N . 12020 1
225 . 1 1 42 42 PHE H H 1 8.922 0.02 . 1 . . . . . 39 PHE H . 12020 1
226 . 1 1 42 42 PHE HA H 1 4.161 0.02 . 1 . . . . . 39 PHE HA . 12020 1
227 . 1 1 42 42 PHE HB2 H 1 3.319 0.02 . 2 . . . . . 39 PHE HB2 . 12020 1
228 . 1 1 42 42 PHE HB3 H 1 3.319 0.02 . 2 . . . . . 39 PHE HB3 . 12020 1
229 . 1 1 42 42 PHE N N 15 122.109 0.3 . 1 . . . . . 39 PHE N . 12020 1
230 . 1 1 43 43 GLU H H 1 8.888 0.02 . 1 . . . . . 40 GLU H . 12020 1
231 . 1 1 43 43 GLU HA H 1 4.069 0.02 . 1 . . . . . 40 GLU HA . 12020 1
232 . 1 1 43 43 GLU HB2 H 1 2.224 0.02 . 2 . . . . . 40 GLU HB2 . 12020 1
233 . 1 1 43 43 GLU HB3 H 1 2.224 0.02 . 2 . . . . . 40 GLU HB3 . 12020 1
234 . 1 1 43 43 GLU HG2 H 1 2.815 0.02 . 2 . . . . . 40 GLU HG2 . 12020 1
235 . 1 1 43 43 GLU HG3 H 1 2.815 0.02 . 2 . . . . . 40 GLU HG3 . 12020 1
236 . 1 1 43 43 GLU N N 15 120.111 0.3 . 1 . . . . . 40 GLU N . 12020 1
237 . 1 1 44 44 ASN H H 1 8.545 0.02 . 1 . . . . . 41 ASN H . 12020 1
238 . 1 1 44 44 ASN HA H 1 4.643 0.02 . 1 . . . . . 41 ASN HA . 12020 1
239 . 1 1 44 44 ASN HB2 H 1 2.965 0.02 . 2 . . . . . 41 ASN HB2 . 12020 1
240 . 1 1 44 44 ASN HB3 H 1 2.965 0.02 . 2 . . . . . 41 ASN HB3 . 12020 1
241 . 1 1 44 44 ASN N N 15 118.489 0.3 . 1 . . . . . 41 ASN N . 12020 1
242 . 1 1 45 45 ARG H H 1 7.699 0.02 . 1 . . . . . 42 ARG H . 12020 1
243 . 1 1 45 45 ARG HA H 1 4.131 0.02 . 1 . . . . . 42 ARG HA . 12020 1
244 . 1 1 45 45 ARG HB2 H 1 1.901 0.02 . 1 . . . . . 42 ARG HB2 . 12020 1
245 . 1 1 45 45 ARG HB3 H 1 1.800 0.02 . 1 . . . . . 42 ARG HB3 . 12020 1
246 . 1 1 45 45 ARG HD2 H 1 3.140 0.02 . 2 . . . . . 42 ARG HD2 . 12020 1
247 . 1 1 45 45 ARG HD3 H 1 3.140 0.02 . 2 . . . . . 42 ARG HD3 . 12020 1
248 . 1 1 45 45 ARG HG2 H 1 1.614 0.02 . 2 . . . . . 42 ARG HG2 . 12020 1
249 . 1 1 45 45 ARG HG3 H 1 1.614 0.02 . 2 . . . . . 42 ARG HG3 . 12020 1
250 . 1 1 45 45 ARG N N 15 119.181 0.3 . 1 . . . . . 42 ARG N . 12020 1
251 . 1 1 47 47 ARG H H 1 8.008 0.02 . 1 . . . . . 44 ARG H . 12020 1
252 . 1 1 47 47 ARG HA H 1 4.419 0.02 . 1 . . . . . 44 ARG HA . 12020 1
253 . 1 1 47 47 ARG HB2 H 1 1.827 0.02 . 1 . . . . . 44 ARG HB2 . 12020 1
254 . 1 1 47 47 ARG HB3 H 1 1.700 0.02 . 1 . . . . . 44 ARG HB3 . 12020 1
255 . 1 1 47 47 ARG HG2 H 1 1.686 0.02 . 2 . . . . . 44 ARG HG2 . 12020 1
256 . 1 1 47 47 ARG HG3 H 1 1.686 0.02 . 2 . . . . . 44 ARG HG3 . 12020 1
257 . 1 1 48 48 GLN H H 1 8.018 0.02 . 1 . . . . . 45 GLN H . 12020 1
258 . 1 1 48 48 GLN HA H 1 4.099 0.02 . 1 . . . . . 45 GLN HA . 12020 1
259 . 1 1 48 48 GLN HB2 H 1 2.196 0.02 . 2 . . . . . 45 GLN HB2 . 12020 1
260 . 1 1 48 48 GLN HB3 H 1 2.196 0.02 . 2 . . . . . 45 GLN HB3 . 12020 1
261 . 1 1 48 48 GLN HG2 H 1 2.320 0.02 . 2 . . . . . 45 GLN HG2 . 12020 1
262 . 1 1 48 48 GLN HG3 H 1 2.320 0.02 . 2 . . . . . 45 GLN HG3 . 12020 1
263 . 1 1 48 48 GLN N N 15 117.097 0.3 . 1 . . . . . 45 GLN N . 12020 1
264 . 1 1 49 49 THR H H 1 8.165 0.02 . 1 . . . . . 46 THR H . 12020 1
265 . 1 1 49 49 THR HA H 1 4.577 0.02 . 1 . . . . . 46 THR HA . 12020 1
266 . 1 1 49 49 THR HB H 1 4.251 0.02 . 1 . . . . . 46 THR HB . 12020 1
267 . 1 1 49 49 THR HG21 H 1 1.137 0.02 . 1 . . . . . 46 THR HG1 . 12020 1
268 . 1 1 49 49 THR HG22 H 1 1.137 0.02 . 1 . . . . . 46 THR HG1 . 12020 1
269 . 1 1 49 49 THR HG23 H 1 1.137 0.02 . 1 . . . . . 46 THR HG1 . 12020 1
270 . 1 1 49 49 THR N N 15 115.634 0.3 . 1 . . . . . 46 THR N . 12020 1
271 . 1 1 50 50 SER H H 1 8.651 0.02 . 1 . . . . . 47 SER H . 12020 1
272 . 1 1 50 50 SER HA H 1 4.407 0.02 . 1 . . . . . 47 SER HA . 12020 1
273 . 1 1 50 50 SER HB2 H 1 3.754 0.02 . 1 . . . . . 47 SER HB2 . 12020 1
274 . 1 1 50 50 SER HB3 H 1 3.639 0.02 . 1 . . . . . 47 SER HB3 . 12020 1
275 . 1 1 50 50 SER N N 15 118.058 0.3 . 1 . . . . . 47 SER N . 12020 1
276 . 1 1 51 51 ILE H H 1 7.999 0.02 . 1 . . . . . 48 ILE H . 12020 1
277 . 1 1 51 51 ILE HA H 1 3.753 0.02 . 1 . . . . . 48 ILE HA . 12020 1
278 . 1 1 51 51 ILE HB H 1 1.981 0.02 . 1 . . . . . 48 ILE HB . 12020 1
279 . 1 1 51 51 ILE HD11 H 1 0.844 0.02 . 1 . . . . . 48 ILE HD1 . 12020 1
280 . 1 1 51 51 ILE HD12 H 1 0.844 0.02 . 1 . . . . . 48 ILE HD1 . 12020 1
281 . 1 1 51 51 ILE HD13 H 1 0.844 0.02 . 1 . . . . . 48 ILE HD1 . 12020 1
282 . 1 1 51 51 ILE HG12 H 1 1.822 0.02 . 1 . . . . . 48 ILE HG12 . 12020 1
283 . 1 1 51 51 ILE HG13 H 1 1.353 0.02 . 1 . . . . . 48 ILE HG13 . 12020 1
284 . 1 1 51 51 ILE HG21 H 1 1.126 0.02 . 1 . . . . . 48 ILE HG2 . 12020 1
285 . 1 1 51 51 ILE HG22 H 1 1.126 0.02 . 1 . . . . . 48 ILE HG2 . 12020 1
286 . 1 1 51 51 ILE HG23 H 1 1.126 0.02 . 1 . . . . . 48 ILE HG2 . 12020 1
287 . 1 1 51 51 ILE N N 15 122.925 0.3 . 1 . . . . . 48 ILE N . 12020 1
288 . 1 1 52 52 LEU H H 1 7.561 0.02 . 1 . . . . . 49 LEU H . 12020 1
289 . 1 1 52 52 LEU HA H 1 4.603 0.02 . 1 . . . . . 49 LEU HA . 12020 1
290 . 1 1 52 52 LEU HB2 H 1 1.668 0.02 . 2 . . . . . 49 LEU HB2 . 12020 1
291 . 1 1 52 52 LEU HB3 H 1 1.668 0.02 . 2 . . . . . 49 LEU HB3 . 12020 1
292 . 1 1 52 52 LEU HG H 1 1.647 0.02 . 1 . . . . . 49 LEU HG . 12020 1
293 . 1 1 52 52 LEU N N 15 127.685 0.3 . 1 . . . . . 49 LEU N . 12020 1
294 . 1 1 53 53 ILE H H 1 9.021 0.02 . 1 . . . . . 50 ILE H . 12020 1
295 . 1 1 53 53 ILE HA H 1 3.961 0.02 . 1 . . . . . 50 ILE HA . 12020 1
296 . 1 1 53 53 ILE HB H 1 1.712 0.02 . 1 . . . . . 50 ILE HB . 12020 1
297 . 1 1 53 53 ILE HD11 H 1 0.767 0.02 . 1 . . . . . 50 ILE HD1 . 12020 1
298 . 1 1 53 53 ILE HD12 H 1 0.767 0.02 . 1 . . . . . 50 ILE HD1 . 12020 1
299 . 1 1 53 53 ILE HD13 H 1 0.767 0.02 . 1 . . . . . 50 ILE HD1 . 12020 1
300 . 1 1 53 53 ILE HG12 H 1 0.547 0.02 . 2 . . . . . 50 ILE HG12 . 12020 1
301 . 1 1 53 53 ILE HG13 H 1 0.547 0.02 . 2 . . . . . 50 ILE HG13 . 12020 1
302 . 1 1 53 53 ILE HG21 H 1 0.671 0.02 . 1 . . . . . 50 ILE HG2 . 12020 1
303 . 1 1 53 53 ILE HG22 H 1 0.671 0.02 . 1 . . . . . 50 ILE HG2 . 12020 1
304 . 1 1 53 53 ILE HG23 H 1 0.671 0.02 . 1 . . . . . 50 ILE HG2 . 12020 1
305 . 1 1 53 53 ILE N N 15 118.705 0.3 . 1 . . . . . 50 ILE N . 12020 1
306 . 1 1 54 54 GLN H H 1 9.683 0.02 . 1 . . . . . 51 GLN H . 12020 1
307 . 1 1 54 54 GLN HA H 1 4.262 0.02 . 1 . . . . . 51 GLN HA . 12020 1
308 . 1 1 54 54 GLN HB2 H 1 1.815 0.02 . 2 . . . . . 51 GLN HB2 . 12020 1
309 . 1 1 54 54 GLN HB3 H 1 1.815 0.02 . 2 . . . . . 51 GLN HB3 . 12020 1
310 . 1 1 54 54 GLN HG2 H 1 2.260 0.02 . 2 . . . . . 51 GLN HG2 . 12020 1
311 . 1 1 54 54 GLN HG3 H 1 2.260 0.02 . 2 . . . . . 51 GLN HG3 . 12020 1
312 . 1 1 54 54 GLN N N 15 130.622 0.3 . 1 . . . . . 51 GLN N . 12020 1
313 . 1 1 55 55 LYS H H 1 7.605 0.02 . 1 . . . . . 52 LYS H . 12020 1
314 . 1 1 55 55 LYS HA H 1 4.598 0.02 . 1 . . . . . 52 LYS HA . 12020 1
315 . 1 1 55 55 LYS HB2 H 1 1.824 0.02 . 2 . . . . . 52 LYS HB2 . 12020 1
316 . 1 1 55 55 LYS HB3 H 1 1.824 0.02 . 2 . . . . . 52 LYS HB3 . 12020 1
317 . 1 1 55 55 LYS HD2 H 1 1.632 0.02 . 2 . . . . . 52 LYS HD2 . 12020 1
318 . 1 1 55 55 LYS HD3 H 1 1.632 0.02 . 2 . . . . . 52 LYS HD3 . 12020 1
319 . 1 1 55 55 LYS HG2 H 1 1.238 0.02 . 2 . . . . . 52 LYS HG2 . 12020 1
320 . 1 1 55 55 LYS HG3 H 1 1.238 0.02 . 2 . . . . . 52 LYS HG3 . 12020 1
321 . 1 1 55 55 LYS N N 15 112.020 0.3 . 1 . . . . . 52 LYS N . 12020 1
322 . 1 1 56 56 SER H H 1 8.699 0.02 . 1 . . . . . 53 SER H . 12020 1
323 . 1 1 56 56 SER HA H 1 4.447 0.02 . 1 . . . . . 53 SER HA . 12020 1
324 . 1 1 56 56 SER HB2 H 1 3.976 0.02 . 1 . . . . . 53 SER HB2 . 12020 1
325 . 1 1 56 56 SER HB3 H 1 3.881 0.02 . 1 . . . . . 53 SER HB3 . 12020 1
326 . 1 1 56 56 SER N N 15 116.891 0.3 . 1 . . . . . 53 SER N . 12020 1
327 . 1 1 57 57 GLY H H 1 7.924 0.02 . 1 . . . . . 54 GLY H . 12020 1
328 . 1 1 57 57 GLY HA2 H 1 4.309 0.02 . 1 . . . . . 54 GLY HA2 . 12020 1
329 . 1 1 57 57 GLY HA3 H 1 3.590 0.02 . 1 . . . . . 54 GLY HA3 . 12020 1
330 . 1 1 57 57 GLY N N 15 112.424 0.3 . 1 . . . . . 54 GLY N . 12020 1
331 . 1 1 58 58 PRO HA H 1 4.371 0.02 . 1 . . . . . 55 PRO HA . 12020 1
332 . 1 1 58 58 PRO HB2 H 1 2.209 0.02 . 1 . . . . . 55 PRO HB2 . 12020 1
333 . 1 1 58 58 PRO HB3 H 1 1.986 0.02 . 1 . . . . . 55 PRO HB3 . 12020 1
334 . 1 1 58 58 PRO HD2 H 1 3.542 0.02 . 1 . . . . . 55 PRO HD2 . 12020 1
335 . 1 1 58 58 PRO HD3 H 1 3.436 0.02 . 1 . . . . . 55 PRO HD3 . 12020 1
336 . 1 1 58 58 PRO HG2 H 1 2.062 0.02 . 2 . . . . . 55 PRO HG2 . 12020 1
337 . 1 1 58 58 PRO HG3 H 1 2.062 0.02 . 2 . . . . . 55 PRO HG3 . 12020 1
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