###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 6281
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6281 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 LEU N N 15 118.800 0.15 . 1 . . . . . . . . 6281 1
2 . 1 1 4 4 LEU H H 1 7.810 0.03 . 1 . . . . . . . . 6281 1
3 . 1 1 4 4 LEU CA C 13 58.400 0.12 . 1 . . . . . . . . 6281 1
4 . 1 1 5 5 GLN N N 15 118.100 0.15 . 1 . . . . . . . . 6281 1
5 . 1 1 5 5 GLN H H 1 8.050 0.03 . 1 . . . . . . . . 6281 1
6 . 1 1 5 5 GLN CA C 13 59.200 0.12 . 1 . . . . . . . . 6281 1
7 . 1 1 6 6 GLN N N 15 119.200 0.15 . 1 . . . . . . . . 6281 1
8 . 1 1 6 6 GLN H H 1 8.380 0.03 . 1 . . . . . . . . 6281 1
9 . 1 1 6 6 GLN CA C 13 58.900 0.12 . 1 . . . . . . . . 6281 1
10 . 1 1 7 7 THR N N 15 118.400 0.15 . 1 . . . . . . . . 6281 1
11 . 1 1 7 7 THR H H 1 8.200 0.03 . 1 . . . . . . . . 6281 1
12 . 1 1 7 7 THR CA C 13 66.800 0.12 . 1 . . . . . . . . 6281 1
13 . 1 1 8 8 GLN N N 15 122.000 0.15 . 1 . . . . . . . . 6281 1
14 . 1 1 8 8 GLN H H 1 8.660 0.03 . 1 . . . . . . . . 6281 1
15 . 1 1 8 8 GLN CA C 13 58.800 0.12 . 1 . . . . . . . . 6281 1
16 . 1 1 9 9 ALA N N 15 119.700 0.15 . 1 . . . . . . . . 6281 1
17 . 1 1 9 9 ALA H H 1 7.780 0.03 . 1 . . . . . . . . 6281 1
18 . 1 1 9 9 ALA CA C 13 55.100 0.12 . 1 . . . . . . . . 6281 1
19 . 1 1 10 10 GLN N N 15 117.900 0.15 . 1 . . . . . . . . 6281 1
20 . 1 1 10 10 GLN H H 1 7.970 0.03 . 1 . . . . . . . . 6281 1
21 . 1 1 10 10 GLN CA C 13 58.900 0.12 . 1 . . . . . . . . 6281 1
22 . 1 1 11 11 VAL N N 15 120.800 0.15 . 1 . . . . . . . . 6281 1
23 . 1 1 11 11 VAL H H 1 8.510 0.03 . 1 . . . . . . . . 6281 1
24 . 1 1 11 11 VAL CA C 13 67.200 0.12 . 1 . . . . . . . . 6281 1
25 . 1 1 12 12 ASP N N 15 120.200 0.15 . 1 . . . . . . . . 6281 1
26 . 1 1 12 12 ASP H H 1 8.670 0.03 . 1 . . . . . . . . 6281 1
27 . 1 1 12 12 ASP CA C 13 57.600 0.12 . 1 . . . . . . . . 6281 1
28 . 1 1 13 13 GLU N N 15 118.100 0.15 . 1 . . . . . . . . 6281 1
29 . 1 1 13 13 GLU H H 1 7.610 0.03 . 1 . . . . . . . . 6281 1
30 . 1 1 13 13 GLU CA C 13 59.300 0.12 . 1 . . . . . . . . 6281 1
31 . 1 1 14 14 VAL N N 15 118.300 0.15 . 1 . . . . . . . . 6281 1
32 . 1 1 14 14 VAL H H 1 7.810 0.03 . 1 . . . . . . . . 6281 1
33 . 1 1 14 14 VAL CA C 13 66.600 0.12 . 1 . . . . . . . . 6281 1
34 . 1 1 15 15 VAL N N 15 122.300 0.15 . 1 . . . . . . . . 6281 1
35 . 1 1 15 15 VAL H H 1 8.950 0.03 . 1 . . . . . . . . 6281 1
36 . 1 1 15 15 VAL CA C 13 67.200 0.12 . 1 . . . . . . . . 6281 1
37 . 1 1 16 16 ASP N N 15 118.800 0.15 . 1 . . . . . . . . 6281 1
38 . 1 1 16 16 ASP H H 1 7.710 0.03 . 1 . . . . . . . . 6281 1
39 . 1 1 16 16 ASP CA C 13 57.800 0.12 . 1 . . . . . . . . 6281 1
40 . 1 1 17 17 ILE N N 15 119.900 0.15 . 1 . . . . . . . . 6281 1
41 . 1 1 17 17 ILE H H 1 7.860 0.03 . 1 . . . . . . . . 6281 1
42 . 1 1 17 17 ILE CA C 13 65.200 0.12 . 1 . . . . . . . . 6281 1
43 . 1 1 18 18 MET N N 15 117.000 0.15 . 1 . . . . . . . . 6281 1
44 . 1 1 18 18 MET H H 1 8.830 0.03 . 1 . . . . . . . . 6281 1
45 . 1 1 18 18 MET CA C 13 56.100 0.12 . 1 . . . . . . . . 6281 1
46 . 1 1 19 19 ARG N N 15 122.300 0.15 . 1 . . . . . . . . 6281 1
47 . 1 1 19 19 ARG H H 1 8.830 0.03 . 1 . . . . . . . . 6281 1
48 . 1 1 19 19 ARG CA C 13 60.700 0.12 . 1 . . . . . . . . 6281 1
49 . 1 1 20 20 VAL N N 15 118.700 0.15 . 1 . . . . . . . . 6281 1
50 . 1 1 20 20 VAL H H 1 7.160 0.03 . 1 . . . . . . . . 6281 1
51 . 1 1 20 20 VAL CA C 13 65.800 0.12 . 1 . . . . . . . . 6281 1
52 . 1 1 21 21 ASN N N 15 119.600 0.15 . 1 . . . . . . . . 6281 1
53 . 1 1 21 21 ASN H H 1 8.280 0.03 . 1 . . . . . . . . 6281 1
54 . 1 1 21 21 ASN CA C 13 55.700 0.12 . 1 . . . . . . . . 6281 1
55 . 1 1 22 22 VAL N N 15 121.600 0.15 . 1 . . . . . . . . 6281 1
56 . 1 1 22 22 VAL H H 1 8.700 0.03 . 1 . . . . . . . . 6281 1
57 . 1 1 22 22 VAL CA C 13 66.300 0.12 . 1 . . . . . . . . 6281 1
58 . 1 1 23 23 ASP N N 15 121.000 0.15 . 1 . . . . . . . . 6281 1
59 . 1 1 23 23 ASP H H 1 7.440 0.03 . 1 . . . . . . . . 6281 1
60 . 1 1 23 23 ASP CA C 13 58.100 0.12 . 1 . . . . . . . . 6281 1
61 . 1 1 24 24 LYS N N 15 117.500 0.15 . 1 . . . . . . . . 6281 1
62 . 1 1 24 24 LYS H H 1 8.560 0.03 . 1 . . . . . . . . 6281 1
63 . 1 1 24 24 LYS CA C 13 60.000 0.12 . 1 . . . . . . . . 6281 1
64 . 1 1 25 25 VAL N N 15 122.400 0.15 . 1 . . . . . . . . 6281 1
65 . 1 1 25 25 VAL H H 1 8.940 0.03 . 1 . . . . . . . . 6281 1
66 . 1 1 25 25 VAL CA C 13 64.400 0.12 . 1 . . . . . . . . 6281 1
67 . 1 1 26 26 LEU N N 15 127.100 0.15 . 1 . . . . . . . . 6281 1
68 . 1 1 26 26 LEU H H 1 8.470 0.03 . 1 . . . . . . . . 6281 1
69 . 1 1 26 26 LEU CA C 13 57.500 0.12 . 1 . . . . . . . . 6281 1
70 . 1 1 27 27 GLU N N 15 123.700 0.15 . 1 . . . . . . . . 6281 1
71 . 1 1 27 27 GLU H H 1 7.960 0.03 . 1 . . . . . . . . 6281 1
72 . 1 1 27 27 GLU CA C 13 59.800 0.12 . 1 . . . . . . . . 6281 1
73 . 1 1 28 28 ARG N N 15 122.000 0.15 . 1 . . . . . . . . 6281 1
74 . 1 1 28 28 ARG H H 1 8.190 0.03 . 1 . . . . . . . . 6281 1
75 . 1 1 28 28 ARG CA C 13 60.100 0.12 . 1 . . . . . . . . 6281 1
76 . 1 1 32 32 LEU N N 15 116.900 0.15 . 1 . . . . . . . . 6281 1
77 . 1 1 32 32 LEU H H 1 8.770 0.03 . 1 . . . . . . . . 6281 1
78 . 1 1 32 32 LEU CA C 13 57.500 0.12 . 1 . . . . . . . . 6281 1
79 . 1 1 33 33 SER N N 15 115.400 0.15 . 1 . . . . . . . . 6281 1
80 . 1 1 33 33 SER H H 1 8.030 0.03 . 1 . . . . . . . . 6281 1
81 . 1 1 33 33 SER CA C 13 61.400 0.12 . 1 . . . . . . . . 6281 1
82 . 1 1 34 34 GLU N N 15 121.800 0.15 . 1 . . . . . . . . 6281 1
83 . 1 1 34 34 GLU H H 1 7.770 0.03 . 1 . . . . . . . . 6281 1
84 . 1 1 34 34 GLU CA C 13 59.400 0.12 . 1 . . . . . . . . 6281 1
85 . 1 1 36 36 ASP N N 15 122.400 0.15 . 1 . . . . . . . . 6281 1
86 . 1 1 36 36 ASP H H 1 8.820 0.03 . 1 . . . . . . . . 6281 1
87 . 1 1 36 36 ASP CA C 13 56.000 0.12 . 1 . . . . . . . . 6281 1
88 . 1 1 37 37 ASP N N 15 118.900 0.15 . 1 . . . . . . . . 6281 1
89 . 1 1 37 37 ASP H H 1 7.050 0.03 . 1 . . . . . . . . 6281 1
90 . 1 1 37 37 ASP CA C 13 56.900 0.12 . 1 . . . . . . . . 6281 1
91 . 1 1 38 38 ARG N N 15 116.500 0.15 . 1 . . . . . . . . 6281 1
92 . 1 1 38 38 ARG H H 1 8.310 0.03 . 1 . . . . . . . . 6281 1
93 . 1 1 38 38 ARG CA C 13 58.900 0.12 . 1 . . . . . . . . 6281 1
94 . 1 1 39 39 ALA N N 15 121.000 0.15 . 1 . . . . . . . . 6281 1
95 . 1 1 39 39 ALA H H 1 9.670 0.03 . 1 . . . . . . . . 6281 1
96 . 1 1 39 39 ALA CA C 13 55.200 0.12 . 1 . . . . . . . . 6281 1
97 . 1 1 40 40 ASP N N 15 120.000 0.15 . 1 . . . . . . . . 6281 1
98 . 1 1 40 40 ASP H H 1 7.750 0.03 . 1 . . . . . . . . 6281 1
99 . 1 1 40 40 ASP CA C 13 57.600 0.12 . 1 . . . . . . . . 6281 1
100 . 1 1 41 41 ALA N N 15 121.500 0.15 . 1 . . . . . . . . 6281 1
101 . 1 1 41 41 ALA H H 1 8.320 0.03 . 1 . . . . . . . . 6281 1
102 . 1 1 41 41 ALA CA C 13 55.200 0.12 . 1 . . . . . . . . 6281 1
103 . 1 1 42 42 LEU N N 15 119.400 0.15 . 1 . . . . . . . . 6281 1
104 . 1 1 42 42 LEU H H 1 8.650 0.03 . 1 . . . . . . . . 6281 1
105 . 1 1 42 42 LEU CA C 13 58.200 0.12 . 1 . . . . . . . . 6281 1
106 . 1 1 43 43 GLN N N 15 117.300 0.15 . 1 . . . . . . . . 6281 1
107 . 1 1 43 43 GLN H H 1 8.060 0.03 . 1 . . . . . . . . 6281 1
108 . 1 1 43 43 GLN CA C 13 59.800 0.12 . 1 . . . . . . . . 6281 1
109 . 1 1 44 44 ALA N N 15 123.700 0.15 . 1 . . . . . . . . 6281 1
110 . 1 1 44 44 ALA H H 1 7.980 0.03 . 1 . . . . . . . . 6281 1
111 . 1 1 44 44 ALA CA C 13 55.100 0.12 . 1 . . . . . . . . 6281 1
112 . 1 1 45 45 GLY N N 15 107.200 0.15 . 1 . . . . . . . . 6281 1
113 . 1 1 45 45 GLY H H 1 8.540 0.03 . 1 . . . . . . . . 6281 1
114 . 1 1 45 45 GLY CA C 13 47.000 0.12 . 1 . . . . . . . . 6281 1
115 . 1 1 46 46 ALA N N 15 125.500 0.15 . 1 . . . . . . . . 6281 1
116 . 1 1 46 46 ALA H H 1 8.970 0.03 . 1 . . . . . . . . 6281 1
117 . 1 1 46 46 ALA CA C 13 55.300 0.12 . 1 . . . . . . . . 6281 1
118 . 1 1 47 47 SER N N 15 114.300 0.15 . 1 . . . . . . . . 6281 1
119 . 1 1 47 47 SER H H 1 8.410 0.03 . 1 . . . . . . . . 6281 1
120 . 1 1 47 47 SER CA C 13 60.700 0.12 . 1 . . . . . . . . 6281 1
121 . 1 1 48 48 GLN N N 15 120.800 0.15 . 1 . . . . . . . . 6281 1
122 . 1 1 48 48 GLN H H 1 7.580 0.03 . 1 . . . . . . . . 6281 1
123 . 1 1 48 48 GLN CA C 13 58.700 0.12 . 1 . . . . . . . . 6281 1
124 . 1 1 49 49 PHE N N 15 121.300 0.15 . 1 . . . . . . . . 6281 1
125 . 1 1 49 49 PHE H H 1 8.200 0.03 . 1 . . . . . . . . 6281 1
126 . 1 1 49 49 PHE CA C 13 59.200 0.12 . 1 . . . . . . . . 6281 1
127 . 1 1 50 50 GLU N N 15 120.400 0.15 . 1 . . . . . . . . 6281 1
128 . 1 1 50 50 GLU H H 1 8.450 0.03 . 1 . . . . . . . . 6281 1
129 . 1 1 50 50 GLU CA C 13 60.600 0.12 . 1 . . . . . . . . 6281 1
130 . 1 1 51 51 THR N N 15 115.500 0.15 . 1 . . . . . . . . 6281 1
131 . 1 1 51 51 THR H H 1 7.930 0.03 . 1 . . . . . . . . 6281 1
132 . 1 1 51 51 THR CA C 13 66.700 0.12 . 1 . . . . . . . . 6281 1
133 . 1 1 52 52 SER N N 15 119.500 0.15 . 1 . . . . . . . . 6281 1
134 . 1 1 52 52 SER H H 1 8.530 0.03 . 1 . . . . . . . . 6281 1
135 . 1 1 52 52 SER CA C 13 62.200 0.12 . 1 . . . . . . . . 6281 1
136 . 1 1 53 53 ALA N N 15 124.700 0.15 . 1 . . . . . . . . 6281 1
137 . 1 1 53 53 ALA H H 1 9.050 0.03 . 1 . . . . . . . . 6281 1
138 . 1 1 53 53 ALA CA C 13 55.300 0.12 . 1 . . . . . . . . 6281 1
139 . 1 1 54 54 ALA N N 15 119.600 0.15 . 1 . . . . . . . . 6281 1
140 . 1 1 54 54 ALA H H 1 8.030 0.03 . 1 . . . . . . . . 6281 1
141 . 1 1 54 54 ALA CA C 13 55.200 0.12 . 1 . . . . . . . . 6281 1
142 . 1 1 55 55 LYS N N 15 117.800 0.15 . 1 . . . . . . . . 6281 1
143 . 1 1 55 55 LYS H H 1 7.680 0.03 . 1 . . . . . . . . 6281 1
144 . 1 1 55 55 LYS CA C 13 59.400 0.12 . 1 . . . . . . . . 6281 1
145 . 1 1 56 56 LEU N N 15 121.800 0.15 . 1 . . . . . . . . 6281 1
146 . 1 1 56 56 LEU H H 1 8.280 0.03 . 1 . . . . . . . . 6281 1
147 . 1 1 56 56 LEU CA C 13 57.800 0.12 . 1 . . . . . . . . 6281 1
148 . 1 1 57 57 LYS N N 15 119.200 0.15 . 1 . . . . . . . . 6281 1
149 . 1 1 57 57 LYS H H 1 8.080 0.03 . 1 . . . . . . . . 6281 1
150 . 1 1 57 57 LYS CA C 13 59.100 0.12 . 1 . . . . . . . . 6281 1
151 . 1 1 58 58 ARG N N 15 116.000 0.15 . 1 . . . . . . . . 6281 1
152 . 1 1 58 58 ARG H H 1 7.420 0.03 . 1 . . . . . . . . 6281 1
153 . 1 1 58 58 ARG CA C 13 58.200 0.12 . 1 . . . . . . . . 6281 1
154 . 1 1 59 59 LYS N N 15 118.800 0.15 . 1 . . . . . . . . 6281 1
155 . 1 1 59 59 LYS H H 1 7.810 0.03 . 1 . . . . . . . . 6281 1
156 . 1 1 59 59 LYS CA C 13 58.400 0.12 . 1 . . . . . . . . 6281 1
157 . 1 1 61 61 TRP N N 15 119.500 0.15 . 1 . . . . . . . . 6281 1
158 . 1 1 61 61 TRP H H 1 7.820 0.03 . 1 . . . . . . . . 6281 1
159 . 1 1 61 61 TRP CA C 13 58.100 0.12 . 1 . . . . . . . . 6281 1
160 . 1 1 62 62 TRP N N 15 119.900 0.15 . 1 . . . . . . . . 6281 1
161 . 1 1 62 62 TRP H H 1 7.450 0.03 . 1 . . . . . . . . 6281 1
162 . 1 1 62 62 TRP CA C 13 57.600 0.12 . 1 . . . . . . . . 6281 1
163 . 1 1 63 63 LYS N N 15 120.700 0.15 . 1 . . . . . . . . 6281 1
164 . 1 1 63 63 LYS H H 1 7.520 0.03 . 1 . . . . . . . . 6281 1
165 . 1 1 63 63 LYS CA C 13 56.500 0.12 . 1 . . . . . . . . 6281 1
stop_
save_
###################################
# 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_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_2
_Assigned_chem_shift_list.Entry_ID 6281
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
. . 2 $sample_2 . 6281 2
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 . 2 2 5 5 ILE N N 15 121.790 0.15 . 1 . . . . . . . . 6281 2
2 . 2 2 5 5 ILE H H 1 7.930 0.03 . 1 . . . . . . . . 6281 2
3 . 2 2 5 5 ILE CA C 13 64.100 0.12 . 1 . . . . . . . . 6281 2
4 . 2 2 6 6 GLU N N 15 122.750 0.15 . 1 . . . . . . . . 6281 2
5 . 2 2 6 6 GLU H H 1 8.720 0.03 . 1 . . . . . . . . 6281 2
6 . 2 2 6 6 GLU CA C 13 60.000 0.12 . 1 . . . . . . . . 6281 2
7 . 2 2 7 7 THR N N 15 117.900 0.15 . 1 . . . . . . . . 6281 2
8 . 2 2 7 7 THR H H 1 8.260 0.03 . 1 . . . . . . . . 6281 2
9 . 2 2 7 7 THR CA C 13 66.500 0.12 . 1 . . . . . . . . 6281 2
10 . 2 2 8 8 ARG N N 15 123.210 0.15 . 1 . . . . . . . . 6281 2
11 . 2 2 8 8 ARG H H 1 8.080 0.03 . 1 . . . . . . . . 6281 2
12 . 2 2 8 8 ARG CA C 13 59.400 0.12 . 1 . . . . . . . . 6281 2
13 . 2 2 9 9 HIS N N 15 119.330 0.15 . 1 . . . . . . . . 6281 2
14 . 2 2 9 9 HIS H H 1 8.400 0.03 . 1 . . . . . . . . 6281 2
15 . 2 2 9 9 HIS CA C 13 60.400 0.12 . 1 . . . . . . . . 6281 2
16 . 2 2 10 10 SER N N 15 113.740 0.15 . 1 . . . . . . . . 6281 2
17 . 2 2 10 10 SER H H 1 8.020 0.03 . 1 . . . . . . . . 6281 2
18 . 2 2 10 10 SER CA C 13 61.900 0.12 . 1 . . . . . . . . 6281 2
19 . 2 2 11 11 GLU N N 15 122.280 0.15 . 1 . . . . . . . . 6281 2
20 . 2 2 11 11 GLU H H 1 7.910 0.03 . 1 . . . . . . . . 6281 2
21 . 2 2 11 11 GLU CA C 13 59.600 0.12 . 1 . . . . . . . . 6281 2
22 . 2 2 12 12 ILE N N 15 125.220 0.15 . 1 . . . . . . . . 6281 2
23 . 2 2 12 12 ILE H H 1 8.540 0.03 . 1 . . . . . . . . 6281 2
24 . 2 2 12 12 ILE CA C 13 65.400 0.12 . 1 . . . . . . . . 6281 2
25 . 2 2 13 13 ILE N N 15 120.550 0.15 . 1 . . . . . . . . 6281 2
26 . 2 2 13 13 ILE H H 1 8.250 0.03 . 1 . . . . . . . . 6281 2
27 . 2 2 13 13 ILE CA C 13 62.700 0.12 . 1 . . . . . . . . 6281 2
28 . 2 2 14 14 LYS N N 15 121.590 0.15 . 1 . . . . . . . . 6281 2
29 . 2 2 14 14 LYS H H 1 7.650 0.03 . 1 . . . . . . . . 6281 2
30 . 2 2 14 14 LYS CA C 13 59.900 0.12 . 1 . . . . . . . . 6281 2
31 . 2 2 15 15 LEU N N 15 123.740 0.15 . 1 . . . . . . . . 6281 2
32 . 2 2 15 15 LEU H H 1 7.850 0.03 . 1 . . . . . . . . 6281 2
33 . 2 2 15 15 LEU CA C 13 57.900 0.12 . 1 . . . . . . . . 6281 2
34 . 2 2 16 16 GLU N N 15 122.980 0.15 . 1 . . . . . . . . 6281 2
35 . 2 2 16 16 GLU H H 1 9.000 0.03 . 1 . . . . . . . . 6281 2
36 . 2 2 16 16 GLU CA C 13 60.500 0.12 . 1 . . . . . . . . 6281 2
37 . 2 2 17 17 ASN N N 15 118.260 0.15 . 1 . . . . . . . . 6281 2
38 . 2 2 17 17 ASN H H 1 8.620 0.03 . 1 . . . . . . . . 6281 2
39 . 2 2 17 17 ASN CA C 13 56.700 0.12 . 1 . . . . . . . . 6281 2
40 . 2 2 18 18 SER N N 15 119.550 0.15 . 1 . . . . . . . . 6281 2
41 . 2 2 18 18 SER H H 1 8.290 0.03 . 1 . . . . . . . . 6281 2
42 . 2 2 18 18 SER CA C 13 62.700 0.12 . 1 . . . . . . . . 6281 2
43 . 2 2 19 19 ILE N N 15 124.390 0.15 . 1 . . . . . . . . 6281 2
44 . 2 2 19 19 ILE H H 1 8.650 0.03 . 1 . . . . . . . . 6281 2
45 . 2 2 19 19 ILE CA C 13 65.300 0.12 . 1 . . . . . . . . 6281 2
46 . 2 2 20 20 ARG N N 15 124.050 0.15 . 1 . . . . . . . . 6281 2
47 . 2 2 20 20 ARG H H 1 9.120 0.03 . 1 . . . . . . . . 6281 2
48 . 2 2 20 20 ARG CA C 13 60.600 0.12 . 1 . . . . . . . . 6281 2
49 . 2 2 22 22 LEU N N 15 119.880 0.15 . 1 . . . . . . . . 6281 2
50 . 2 2 22 22 LEU H H 1 8.060 0.03 . 1 . . . . . . . . 6281 2
51 . 2 2 22 22 LEU CA C 13 58.200 0.12 . 1 . . . . . . . . 6281 2
52 . 2 2 23 23 HIS N N 15 119.290 0.15 . 1 . . . . . . . . 6281 2
53 . 2 2 23 23 HIS H H 1 9.090 0.03 . 1 . . . . . . . . 6281 2
54 . 2 2 23 23 HIS CA C 13 58.400 0.12 . 1 . . . . . . . . 6281 2
55 . 2 2 24 24 ASP N N 15 123.560 0.15 . 1 . . . . . . . . 6281 2
56 . 2 2 24 24 ASP H H 1 8.800 0.03 . 1 . . . . . . . . 6281 2
57 . 2 2 24 24 ASP CA C 13 58.000 0.12 . 1 . . . . . . . . 6281 2
58 . 2 2 25 25 MET N N 15 119.960 0.15 . 1 . . . . . . . . 6281 2
59 . 2 2 25 25 MET H H 1 8.200 0.03 . 1 . . . . . . . . 6281 2
60 . 2 2 25 25 MET CA C 13 60.900 0.12 . 1 . . . . . . . . 6281 2
61 . 2 2 26 26 PHE N N 15 118.260 0.15 . 1 . . . . . . . . 6281 2
62 . 2 2 26 26 PHE H H 1 8.320 0.03 . 1 . . . . . . . . 6281 2
63 . 2 2 26 26 PHE CA C 13 63.300 0.12 . 1 . . . . . . . . 6281 2
64 . 2 2 27 27 MET N N 15 119.130 0.15 . 1 . . . . . . . . 6281 2
65 . 2 2 27 27 MET H H 1 8.580 0.03 . 1 . . . . . . . . 6281 2
66 . 2 2 27 27 MET CA C 13 57.000 0.12 . 1 . . . . . . . . 6281 2
67 . 2 2 28 28 ASP N N 15 122.210 0.15 . 1 . . . . . . . . 6281 2
68 . 2 2 28 28 ASP H H 1 8.610 0.03 . 1 . . . . . . . . 6281 2
69 . 2 2 28 28 ASP CA C 13 57.300 0.12 . 1 . . . . . . . . 6281 2
70 . 2 2 29 29 MET N N 15 120.160 0.15 . 1 . . . . . . . . 6281 2
71 . 2 2 29 29 MET H H 1 8.490 0.03 . 1 . . . . . . . . 6281 2
72 . 2 2 29 29 MET CA C 13 57.700 0.12 . 1 . . . . . . . . 6281 2
73 . 2 2 30 30 ALA N N 15 120.900 0.15 . 1 . . . . . . . . 6281 2
74 . 2 2 30 30 ALA H H 1 7.530 0.03 . 1 . . . . . . . . 6281 2
75 . 2 2 30 30 ALA CA C 13 55.400 0.12 . 1 . . . . . . . . 6281 2
76 . 2 2 31 31 MET N N 15 119.850 0.15 . 1 . . . . . . . . 6281 2
77 . 2 2 31 31 MET H H 1 7.910 0.03 . 1 . . . . . . . . 6281 2
78 . 2 2 31 31 MET CA C 13 58.900 0.12 . 1 . . . . . . . . 6281 2
79 . 2 2 32 32 LEU N N 15 123.860 0.15 . 1 . . . . . . . . 6281 2
80 . 2 2 32 32 LEU H H 1 8.850 0.03 . 1 . . . . . . . . 6281 2
81 . 2 2 32 32 LEU CA C 13 58.500 0.12 . 1 . . . . . . . . 6281 2
82 . 2 2 33 33 VAL N N 15 120.840 0.15 . 1 . . . . . . . . 6281 2
83 . 2 2 33 33 VAL H H 1 8.610 0.03 . 1 . . . . . . . . 6281 2
84 . 2 2 33 33 VAL CA C 13 67.700 0.12 . 1 . . . . . . . . 6281 2
85 . 2 2 37 37 GLY N N 15 109.260 0.15 . 1 . . . . . . . . 6281 2
86 . 2 2 37 37 GLY H H 1 8.120 0.03 . 1 . . . . . . . . 6281 2
87 . 2 2 37 37 GLY CA C 13 47.600 0.12 . 1 . . . . . . . . 6281 2
88 . 2 2 38 38 GLU N N 15 120.790 0.15 . 1 . . . . . . . . 6281 2
89 . 2 2 38 38 GLU H H 1 7.390 0.03 . 1 . . . . . . . . 6281 2
90 . 2 2 38 38 GLU CA C 13 59.400 0.12 . 1 . . . . . . . . 6281 2
91 . 2 2 39 39 MET N N 15 116.660 0.15 . 1 . . . . . . . . 6281 2
92 . 2 2 39 39 MET H H 1 6.980 0.03 . 1 . . . . . . . . 6281 2
93 . 2 2 39 39 MET CA C 13 59.600 0.12 . 1 . . . . . . . . 6281 2
94 . 2 2 41 41 ASP N N 15 120.440 0.15 . 1 . . . . . . . . 6281 2
95 . 2 2 41 41 ASP H H 1 8.500 0.03 . 1 . . . . . . . . 6281 2
96 . 2 2 41 41 ASP CA C 13 57.900 0.12 . 1 . . . . . . . . 6281 2
97 . 2 2 42 42 ARG N N 15 121.660 0.15 . 1 . . . . . . . . 6281 2
98 . 2 2 42 42 ARG H H 1 7.190 0.03 . 1 . . . . . . . . 6281 2
99 . 2 2 42 42 ARG CA C 13 59.900 0.12 . 1 . . . . . . . . 6281 2
100 . 2 2 43 43 ILE N N 15 122.040 0.15 . 1 . . . . . . . . 6281 2
101 . 2 2 43 43 ILE H H 1 8.730 0.03 . 1 . . . . . . . . 6281 2
102 . 2 2 43 43 ILE CA C 13 65.100 0.12 . 1 . . . . . . . . 6281 2
103 . 2 2 44 44 GLU N N 15 119.920 0.15 . 1 . . . . . . . . 6281 2
104 . 2 2 44 44 GLU H H 1 9.060 0.03 . 1 . . . . . . . . 6281 2
105 . 2 2 44 44 GLU CA C 13 60.000 0.12 . 1 . . . . . . . . 6281 2
106 . 2 2 45 45 TYR N N 15 120.420 0.15 . 1 . . . . . . . . 6281 2
107 . 2 2 45 45 TYR H H 1 7.930 0.03 . 1 . . . . . . . . 6281 2
108 . 2 2 45 45 TYR CA C 13 60.900 0.12 . 1 . . . . . . . . 6281 2
109 . 2 2 46 46 ASN N N 15 121.260 0.15 . 1 . . . . . . . . 6281 2
110 . 2 2 46 46 ASN H H 1 9.000 0.03 . 1 . . . . . . . . 6281 2
111 . 2 2 46 46 ASN CA C 13 56.400 0.12 . 1 . . . . . . . . 6281 2
112 . 2 2 47 47 VAL N N 15 123.080 0.15 . 1 . . . . . . . . 6281 2
113 . 2 2 47 47 VAL H H 1 9.200 0.03 . 1 . . . . . . . . 6281 2
114 . 2 2 47 47 VAL CA C 13 67.800 0.12 . 1 . . . . . . . . 6281 2
115 . 2 2 48 48 GLU N N 15 120.670 0.15 . 1 . . . . . . . . 6281 2
116 . 2 2 48 48 GLU H H 1 8.570 0.03 . 1 . . . . . . . . 6281 2
117 . 2 2 48 48 GLU CA C 13 60.100 0.12 . 1 . . . . . . . . 6281 2
118 . 2 2 49 49 HIS N N 15 116.490 0.15 . 1 . . . . . . . . 6281 2
119 . 2 2 49 49 HIS H H 1 7.820 0.03 . 1 . . . . . . . . 6281 2
120 . 2 2 49 49 HIS CA C 13 59.300 0.12 . 1 . . . . . . . . 6281 2
121 . 2 2 50 50 ALA N N 15 121.980 0.15 . 1 . . . . . . . . 6281 2
122 . 2 2 50 50 ALA H H 1 8.450 0.03 . 1 . . . . . . . . 6281 2
123 . 2 2 50 50 ALA CA C 13 56.100 0.12 . 1 . . . . . . . . 6281 2
124 . 2 2 51 51 VAL N N 15 118.160 0.15 . 1 . . . . . . . . 6281 2
125 . 2 2 51 51 VAL H H 1 8.680 0.03 . 1 . . . . . . . . 6281 2
126 . 2 2 51 51 VAL CA C 13 65.900 0.12 . 1 . . . . . . . . 6281 2
127 . 2 2 52 52 ASP N N 15 119.720 0.15 . 1 . . . . . . . . 6281 2
128 . 2 2 52 52 ASP H H 1 7.210 0.03 . 1 . . . . . . . . 6281 2
129 . 2 2 52 52 ASP CA C 13 57.300 0.12 . 1 . . . . . . . . 6281 2
130 . 2 2 53 53 TYR N N 15 118.460 0.15 . 1 . . . . . . . . 6281 2
131 . 2 2 53 53 TYR H H 1 8.430 0.03 . 1 . . . . . . . . 6281 2
132 . 2 2 53 53 TYR CA C 13 60.100 0.12 . 1 . . . . . . . . 6281 2
133 . 2 2 56 56 ARG N N 15 119.960 0.15 . 1 . . . . . . . . 6281 2
134 . 2 2 56 56 ARG H H 1 8.180 0.03 . 1 . . . . . . . . 6281 2
135 . 2 2 56 56 ARG CA C 13 59.800 0.12 . 1 . . . . . . . . 6281 2
136 . 2 2 57 57 ALA N N 15 123.370 0.15 . 1 . . . . . . . . 6281 2
137 . 2 2 57 57 ALA H H 1 8.240 0.03 . 1 . . . . . . . . 6281 2
138 . 2 2 57 57 ALA CA C 13 54.700 0.12 . 1 . . . . . . . . 6281 2
139 . 2 2 63 63 LYS N N 15 112.360 0.15 . 1 . . . . . . . . 6281 2
140 . 2 2 63 63 LYS H H 1 7.850 0.03 . 1 . . . . . . . . 6281 2
141 . 2 2 63 63 LYS CA C 13 58.000 0.12 . 1 . . . . . . . . 6281 2
stop_
save_
###################################
# 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_shift_set_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_3
_Assigned_chem_shift_list.Entry_ID 6281
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
. . 3 $sample_3 . 6281 3
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 . 5 5 2 2 ASP N N 15 118.900 0.15 . 1 . . . . . . . . 6281 3
2 . 5 5 2 2 ASP H H 1 8.310 0.03 . 1 . . . . . . . . 6281 3
3 . 5 5 2 2 ASP CA C 13 55.200 0.12 . 1 . . . . . . . . 6281 3
4 . 5 5 3 3 ALA N N 15 123.400 0.15 . 1 . . . . . . . . 6281 3
5 . 5 5 3 3 ALA H H 1 7.940 0.03 . 1 . . . . . . . . 6281 3
6 . 5 5 3 3 ALA CA C 13 54.400 0.12 . 1 . . . . . . . . 6281 3
7 . 5 5 4 4 ALA N N 15 121.000 0.15 . 1 . . . . . . . . 6281 3
8 . 5 5 4 4 ALA H H 1 8.230 0.03 . 1 . . . . . . . . 6281 3
9 . 5 5 4 4 ALA CA C 13 54.200 0.12 . 1 . . . . . . . . 6281 3
10 . 5 5 5 5 LYS N N 15 119.900 0.15 . 1 . . . . . . . . 6281 3
11 . 5 5 5 5 LYS H H 1 7.890 0.03 . 1 . . . . . . . . 6281 3
12 . 5 5 5 5 LYS CA C 13 57.900 0.12 . 1 . . . . . . . . 6281 3
13 . 5 5 6 6 LYS N N 15 119.400 0.15 . 1 . . . . . . . . 6281 3
14 . 5 5 6 6 LYS H H 1 8.010 0.03 . 1 . . . . . . . . 6281 3
15 . 5 5 6 6 LYS CA C 13 58.200 0.12 . 1 . . . . . . . . 6281 3
16 . 5 5 10 10 ARG N N 15 121.800 0.15 . 1 . . . . . . . . 6281 3
17 . 5 5 10 10 ARG H H 1 8.140 0.03 . 1 . . . . . . . . 6281 3
18 . 5 5 10 10 ARG CA C 13 58.900 0.12 . 1 . . . . . . . . 6281 3
19 . 5 5 11 11 GLN N N 15 118.100 0.15 . 1 . . . . . . . . 6281 3
20 . 5 5 11 11 GLN H H 1 8.390 0.03 . 1 . . . . . . . . 6281 3
21 . 5 5 11 11 GLN CA C 13 58.500 0.12 . 1 . . . . . . . . 6281 3
22 . 5 5 12 12 GLU CA C 13 58.600 0.12 . 1 . . . . . . . . 6281 3
23 . 5 5 13 13 ALA N N 15 122.400 0.15 . 1 . . . . . . . . 6281 3
24 . 5 5 13 13 ALA H H 1 8.010 0.03 . 1 . . . . . . . . 6281 3
25 . 5 5 13 13 ALA CA C 13 54.800 0.12 . 1 . . . . . . . . 6281 3
26 . 5 5 14 14 LEU N N 15 120.200 0.15 . 1 . . . . . . . . 6281 3
27 . 5 5 14 14 LEU H H 1 8.070 0.03 . 1 . . . . . . . . 6281 3
28 . 5 5 14 14 LEU CA C 13 57.700 0.12 . 1 . . . . . . . . 6281 3
29 . 5 5 15 15 ARG N N 15 121.200 0.15 . 1 . . . . . . . . 6281 3
30 . 5 5 15 15 ARG H H 1 8.100 0.03 . 1 . . . . . . . . 6281 3
31 . 5 5 15 15 ARG CA C 13 58.400 0.12 . 1 . . . . . . . . 6281 3
32 . 5 5 16 16 GLN N N 15 119.400 0.15 . 1 . . . . . . . . 6281 3
33 . 5 5 16 16 GLN H H 1 8.380 0.03 . 1 . . . . . . . . 6281 3
34 . 5 5 16 16 GLN CA C 13 58.800 0.12 . 1 . . . . . . . . 6281 3
35 . 5 5 17 17 ALA N N 15 121.600 0.15 . 1 . . . . . . . . 6281 3
36 . 5 5 17 17 ALA H H 1 8.070 0.03 . 1 . . . . . . . . 6281 3
37 . 5 5 17 17 ALA CA C 13 54.800 0.12 . 1 . . . . . . . . 6281 3
38 . 5 5 18 18 GLU N N 15 120.400 0.15 . 1 . . . . . . . . 6281 3
39 . 5 5 18 18 GLU H H 1 7.950 0.03 . 1 . . . . . . . . 6281 3
40 . 5 5 18 18 GLU CA C 13 59.400 0.12 . 1 . . . . . . . . 6281 3
41 . 5 5 19 19 GLU N N 15 119.100 0.15 . 1 . . . . . . . . 6281 3
42 . 5 5 19 19 GLU H H 1 7.770 0.03 . 1 . . . . . . . . 6281 3
43 . 5 5 19 19 GLU CA C 13 59.200 0.12 . 1 . . . . . . . . 6281 3
44 . 5 5 20 20 GLU N N 15 121.300 0.15 . 1 . . . . . . . . 6281 3
45 . 5 5 20 20 GLU H H 1 8.670 0.03 . 1 . . . . . . . . 6281 3
46 . 5 5 20 20 GLU CA C 13 57.800 0.12 . 1 . . . . . . . . 6281 3
47 . 5 5 22 22 LYS CA C 13 58.000 0.12 . 1 . . . . . . . . 6281 3
48 . 5 5 23 23 ALA N N 15 121.500 0.15 . 1 . . . . . . . . 6281 3
49 . 5 5 23 23 ALA H H 1 8.010 0.03 . 1 . . . . . . . . 6281 3
50 . 5 5 23 23 ALA CA C 13 55.000 0.12 . 1 . . . . . . . . 6281 3
51 . 5 5 24 24 LYS N N 15 119.600 0.15 . 1 . . . . . . . . 6281 3
52 . 5 5 24 24 LYS H H 1 7.800 0.03 . 1 . . . . . . . . 6281 3
53 . 5 5 24 24 LYS CA C 13 59.300 0.12 . 1 . . . . . . . . 6281 3
54 . 5 5 25 25 TYR N N 15 118.700 0.15 . 1 . . . . . . . . 6281 3
55 . 5 5 25 25 TYR H H 1 7.930 0.03 . 1 . . . . . . . . 6281 3
56 . 5 5 25 25 TYR CA C 13 63.100 0.12 . 1 . . . . . . . . 6281 3
57 . 5 5 26 26 ALA N N 15 123.200 0.15 . 1 . . . . . . . . 6281 3
58 . 5 5 26 26 ALA H H 1 8.600 0.03 . 1 . . . . . . . . 6281 3
59 . 5 5 26 26 ALA CA C 13 55.100 0.12 . 1 . . . . . . . . 6281 3
60 . 5 5 27 27 LYS N N 15 119.600 0.15 . 1 . . . . . . . . 6281 3
61 . 5 5 27 27 LYS H H 1 7.800 0.03 . 1 . . . . . . . . 6281 3
62 . 5 5 27 27 LYS CA C 13 59.300 0.12 . 1 . . . . . . . . 6281 3
63 . 5 5 28 28 MET N N 15 122.900 0.15 . 1 . . . . . . . . 6281 3
64 . 5 5 28 28 MET H H 1 8.160 0.03 . 1 . . . . . . . . 6281 3
65 . 5 5 28 28 MET CA C 13 59.700 0.12 . 1 . . . . . . . . 6281 3
66 . 5 5 29 29 GLU N N 15 118.400 0.15 . 1 . . . . . . . . 6281 3
67 . 5 5 29 29 GLU H H 1 8.550 0.03 . 1 . . . . . . . . 6281 3
68 . 5 5 29 29 GLU CA C 13 59.500 0.12 . 1 . . . . . . . . 6281 3
69 . 5 5 30 30 ALA N N 15 121.600 0.15 . 1 . . . . . . . . 6281 3
70 . 5 5 30 30 ALA H H 1 8.010 0.03 . 1 . . . . . . . . 6281 3
71 . 5 5 30 30 ALA CA C 13 54.800 0.12 . 1 . . . . . . . . 6281 3
72 . 5 5 31 31 GLU N N 15 117.300 0.15 . 1 . . . . . . . . 6281 3
73 . 5 5 31 31 GLU H H 1 7.800 0.03 . 1 . . . . . . . . 6281 3
74 . 5 5 31 31 GLU CA C 13 59.200 0.12 . 1 . . . . . . . . 6281 3
75 . 5 5 32 32 ARG N N 15 120.500 0.15 . 1 . . . . . . . . 6281 3
76 . 5 5 32 32 ARG H H 1 8.370 0.03 . 1 . . . . . . . . 6281 3
77 . 5 5 32 32 ARG CA C 13 60.100 0.12 . 1 . . . . . . . . 6281 3
78 . 5 5 33 33 GLU N N 15 120.300 0.15 . 1 . . . . . . . . 6281 3
79 . 5 5 33 33 GLU H H 1 8.940 0.03 . 1 . . . . . . . . 6281 3
80 . 5 5 33 33 GLU CA C 13 58.900 0.12 . 1 . . . . . . . . 6281 3
81 . 5 5 34 34 VAL N N 15 119.500 0.15 . 1 . . . . . . . . 6281 3
82 . 5 5 34 34 VAL H H 1 7.440 0.03 . 1 . . . . . . . . 6281 3
83 . 5 5 34 34 VAL CA C 13 66.500 0.12 . 1 . . . . . . . . 6281 3
84 . 5 5 35 35 MET N N 15 121.700 0.15 . 1 . . . . . . . . 6281 3
85 . 5 5 35 35 MET H H 1 7.180 0.03 . 1 . . . . . . . . 6281 3
86 . 5 5 35 35 MET CA C 13 58.700 0.12 . 1 . . . . . . . . 6281 3
87 . 5 5 36 36 ARG N N 15 119.600 0.15 . 1 . . . . . . . . 6281 3
88 . 5 5 36 36 ARG H H 1 9.020 0.03 . 1 . . . . . . . . 6281 3
89 . 5 5 36 36 ARG CA C 13 59.800 0.12 . 1 . . . . . . . . 6281 3
90 . 5 5 37 37 GLN N N 15 118.600 0.15 . 1 . . . . . . . . 6281 3
91 . 5 5 37 37 GLN H H 1 8.850 0.03 . 1 . . . . . . . . 6281 3
92 . 5 5 37 37 GLN CA C 13 58.100 0.12 . 1 . . . . . . . . 6281 3
93 . 5 5 38 38 GLY N N 15 106.200 0.15 . 1 . . . . . . . . 6281 3
94 . 5 5 38 38 GLY H H 1 7.930 0.03 . 1 . . . . . . . . 6281 3
95 . 5 5 38 38 GLY CA C 13 47.200 0.12 . 1 . . . . . . . . 6281 3
96 . 5 5 39 39 ILE N N 15 122.800 0.15 . 1 . . . . . . . . 6281 3
97 . 5 5 39 39 ILE H H 1 7.510 0.03 . 1 . . . . . . . . 6281 3
98 . 5 5 39 39 ILE CA C 13 62.600 0.12 . 1 . . . . . . . . 6281 3
99 . 5 5 40 40 ARG N N 15 118.400 0.15 . 1 . . . . . . . . 6281 3
100 . 5 5 40 40 ARG H H 1 8.440 0.03 . 1 . . . . . . . . 6281 3
101 . 5 5 40 40 ARG CA C 13 61.200 0.12 . 1 . . . . . . . . 6281 3
102 . 5 5 41 41 ASP N N 15 117.400 0.15 . 1 . . . . . . . . 6281 3
103 . 5 5 41 41 ASP H H 1 8.710 0.03 . 1 . . . . . . . . 6281 3
104 . 5 5 41 41 ASP CA C 13 56.800 0.12 . 1 . . . . . . . . 6281 3
105 . 5 5 42 42 LYS N N 15 121.000 0.15 . 1 . . . . . . . . 6281 3
106 . 5 5 42 42 LYS H H 1 7.630 0.03 . 1 . . . . . . . . 6281 3
107 . 5 5 42 42 LYS CA C 13 59.300 0.12 . 1 . . . . . . . . 6281 3
108 . 5 5 43 43 TYR N N 15 112.300 0.15 . 1 . . . . . . . . 6281 3
109 . 5 5 43 43 TYR H H 1 7.060 0.03 . 1 . . . . . . . . 6281 3
110 . 5 5 43 43 TYR CA C 13 57.100 0.12 . 1 . . . . . . . . 6281 3
111 . 5 5 44 44 GLY N N 15 110.600 0.15 . 1 . . . . . . . . 6281 3
112 . 5 5 44 44 GLY H H 1 7.850 0.03 . 1 . . . . . . . . 6281 3
113 . 5 5 44 44 GLY CA C 13 47.200 0.12 . 1 . . . . . . . . 6281 3
114 . 5 5 45 45 ILE N N 15 120.700 0.15 . 1 . . . . . . . . 6281 3
115 . 5 5 45 45 ILE H H 1 8.370 0.03 . 1 . . . . . . . . 6281 3
116 . 5 5 45 45 ILE CA C 13 60.700 0.12 . 1 . . . . . . . . 6281 3
117 . 5 5 46 46 LYS N N 15 127.100 0.15 . 1 . . . . . . . . 6281 3
118 . 5 5 46 46 LYS H H 1 8.470 0.03 . 1 . . . . . . . . 6281 3
119 . 5 5 46 46 LYS CA C 13 55.500 0.12 . 1 . . . . . . . . 6281 3
120 . 5 5 47 47 LYS N N 15 123.900 0.15 . 1 . . . . . . . . 6281 3
121 . 5 5 47 47 LYS H H 1 8.640 0.03 . 1 . . . . . . . . 6281 3
122 . 5 5 47 47 LYS CA C 13 56.600 0.12 . 1 . . . . . . . . 6281 3
123 . 5 5 48 48 LYS N N 15 125.200 0.15 . 1 . . . . . . . . 6281 3
124 . 5 5 48 48 LYS H H 1 8.760 0.03 . 1 . . . . . . . . 6281 3
125 . 5 5 48 48 LYS CA C 13 57.500 0.12 . 1 . . . . . . . . 6281 3
126 . 5 5 49 49 GLU N N 15 121.300 0.15 . 1 . . . . . . . . 6281 3
127 . 5 5 49 49 GLU H H 1 8.680 0.03 . 1 . . . . . . . . 6281 3
128 . 5 5 49 49 GLU CA C 13 56.800 0.12 . 1 . . . . . . . . 6281 3
129 . 5 5 50 50 GLU N N 15 121.600 0.15 . 1 . . . . . . . . 6281 3
130 . 5 5 50 50 GLU H H 1 8.270 0.03 . 1 . . . . . . . . 6281 3
131 . 5 5 50 50 GLU CA C 13 56.500 0.12 . 1 . . . . . . . . 6281 3
132 . 5 5 51 51 ARG N N 15 121.300 0.15 . 1 . . . . . . . . 6281 3
133 . 5 5 51 51 ARG H H 1 8.230 0.03 . 1 . . . . . . . . 6281 3
134 . 5 5 51 51 ARG CA C 13 56.300 0.12 . 1 . . . . . . . . 6281 3
135 . 5 5 52 52 GLU N N 15 121.600 0.15 . 1 . . . . . . . . 6281 3
136 . 5 5 52 52 GLU H H 1 8.430 0.03 . 1 . . . . . . . . 6281 3
137 . 5 5 52 52 GLU CA C 13 56.600 0.12 . 1 . . . . . . . . 6281 3
138 . 5 5 53 53 ALA N N 15 124.400 0.15 . 1 . . . . . . . . 6281 3
139 . 5 5 53 53 ALA H H 1 8.240 0.03 . 1 . . . . . . . . 6281 3
140 . 5 5 53 53 ALA CA C 13 52.600 0.12 . 1 . . . . . . . . 6281 3
141 . 5 5 54 54 GLU N N 15 119.600 0.15 . 1 . . . . . . . . 6281 3
142 . 5 5 54 54 GLU H H 1 8.270 0.03 . 1 . . . . . . . . 6281 3
143 . 5 5 54 54 GLU CA C 13 56.400 0.12 . 1 . . . . . . . . 6281 3
144 . 5 5 55 55 ALA N N 15 125.300 0.15 . 1 . . . . . . . . 6281 3
145 . 5 5 55 55 ALA H H 1 8.200 0.03 . 1 . . . . . . . . 6281 3
146 . 5 5 55 55 ALA CA C 13 52.400 0.12 . 1 . . . . . . . . 6281 3
147 . 5 5 56 56 GLN N N 15 124.800 0.15 . 1 . . . . . . . . 6281 3
148 . 5 5 56 56 GLN H H 1 7.920 0.03 . 1 . . . . . . . . 6281 3
149 . 5 5 56 56 GLN CA C 13 57.200 0.12 . 1 . . . . . . . . 6281 3
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