###################################
# 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 27079
_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' . . . 27079 1
2 '3D HNCACB' . . . 27079 1
3 '3D CBCA(CO)NH' . . . 27079 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 3 3 SER H H 1 8.332 0.020 . 1 . . . . . 7 SER H . 27079 1
2 . 1 1 3 3 SER CA C 13 57.779 0.400 . 1 . . . . . 7 SER CA . 27079 1
3 . 1 1 3 3 SER CB C 13 64.181 0.400 . 1 . . . . . 7 SER CB . 27079 1
4 . 1 1 3 3 SER N N 15 116.594 0.400 . 1 . . . . . 7 SER N . 27079 1
5 . 1 1 4 4 GLN H H 1 8.186 0.020 . 1 . . . . . 8 GLN H . 27079 1
6 . 1 1 4 4 GLN CA C 13 54.923 0.400 . 1 . . . . . 8 GLN CA . 27079 1
7 . 1 1 4 4 GLN CB C 13 29.794 0.400 . 1 . . . . . 8 GLN CB . 27079 1
8 . 1 1 4 4 GLN N N 15 122.380 0.400 . 1 . . . . . 8 GLN N . 27079 1
9 . 1 1 5 5 ILE H H 1 8.504 0.020 . 1 . . . . . 9 ILE H . 27079 1
10 . 1 1 5 5 ILE CA C 13 60.178 0.400 . 1 . . . . . 9 ILE CA . 27079 1
11 . 1 1 5 5 ILE CB C 13 39.000 0.400 . 1 . . . . . 9 ILE CB . 27079 1
12 . 1 1 5 5 ILE N N 15 126.171 0.400 . 1 . . . . . 9 ILE N . 27079 1
13 . 1 1 6 6 GLN H H 1 8.711 0.020 . 1 . . . . . 10 GLN H . 27079 1
14 . 1 1 6 6 GLN CA C 13 54.560 0.400 . 1 . . . . . 10 GLN CA . 27079 1
15 . 1 1 6 6 GLN CB C 13 28.790 0.400 . 1 . . . . . 10 GLN CB . 27079 1
16 . 1 1 6 6 GLN N N 15 127.471 0.400 . 1 . . . . . 10 GLN N . 27079 1
17 . 1 1 7 7 PHE H H 1 8.817 0.020 . 1 . . . . . 11 PHE H . 27079 1
18 . 1 1 7 7 PHE CA C 13 56.482 0.400 . 1 . . . . . 11 PHE CA . 27079 1
19 . 1 1 7 7 PHE CB C 13 37.981 0.400 . 1 . . . . . 11 PHE CB . 27079 1
20 . 1 1 7 7 PHE N N 15 127.687 0.400 . 1 . . . . . 11 PHE N . 27079 1
21 . 1 1 8 8 THR N N 15 118.689 0.400 . 1 . . . . . 12 THR N . 27079 1
22 . 1 1 9 9 ARG CA C 13 55.468 0.400 . 1 . . . . . 13 ARG CA . 27079 1
23 . 1 1 9 9 ARG CB C 13 29.591 0.400 . 1 . . . . . 13 ARG CB . 27079 1
24 . 1 1 10 10 HIS H H 1 7.311 0.020 . 1 . . . . . 14 HIS H . 27079 1
25 . 1 1 10 10 HIS CA C 13 60.146 0.400 . 1 . . . . . 14 HIS CA . 27079 1
26 . 1 1 10 10 HIS CB C 13 30.801 0.400 . 1 . . . . . 14 HIS CB . 27079 1
27 . 1 1 10 10 HIS N N 15 119.939 0.400 . 1 . . . . . 14 HIS N . 27079 1
28 . 1 1 11 11 ALA H H 1 8.871 0.020 . 1 . . . . . 15 ALA H . 27079 1
29 . 1 1 11 11 ALA CA C 13 55.264 0.400 . 1 . . . . . 15 ALA CA . 27079 1
30 . 1 1 11 11 ALA CB C 13 15.617 0.400 . 1 . . . . . 15 ALA CB . 27079 1
31 . 1 1 11 11 ALA N N 15 119.860 0.400 . 1 . . . . . 15 ALA N . 27079 1
32 . 1 1 12 12 SER H H 1 7.984 0.020 . 1 . . . . . 16 SER H . 27079 1
33 . 1 1 12 12 SER CA C 13 61.366 0.400 . 1 . . . . . 16 SER CA . 27079 1
34 . 1 1 12 12 SER CB C 13 62.043 0.400 . 1 . . . . . 16 SER CB . 27079 1
35 . 1 1 12 12 SER N N 15 114.063 0.400 . 1 . . . . . 16 SER N . 27079 1
36 . 1 1 13 13 ASP CA C 13 57.066 0.400 . 1 . . . . . 17 ASP CA . 27079 1
37 . 1 1 13 13 ASP CB C 13 39.245 0.400 . 1 . . . . . 17 ASP CB . 27079 1
38 . 1 1 13 13 ASP N N 15 125.839 0.400 . 1 . . . . . 17 ASP N . 27079 1
39 . 1 1 14 14 VAL H H 1 8.365 0.020 . 1 . . . . . 18 VAL H . 27079 1
40 . 1 1 14 14 VAL CA C 13 66.580 0.400 . 1 . . . . . 18 VAL CA . 27079 1
41 . 1 1 14 14 VAL CB C 13 30.285 0.400 . 1 . . . . . 18 VAL CB . 27079 1
42 . 1 1 14 14 VAL N N 15 122.314 0.400 . 1 . . . . . 18 VAL N . 27079 1
43 . 1 1 15 15 LEU H H 1 7.711 0.020 . 1 . . . . . 19 LEU H . 27079 1
44 . 1 1 15 15 LEU CA C 13 57.963 0.400 . 1 . . . . . 19 LEU CA . 27079 1
45 . 1 1 15 15 LEU CB C 13 40.835 0.400 . 1 . . . . . 19 LEU CB . 27079 1
46 . 1 1 15 15 LEU N N 15 121.072 0.400 . 1 . . . . . 19 LEU N . 27079 1
47 . 1 1 16 16 LEU H H 1 7.955 0.020 . 1 . . . . . 20 LEU H . 27079 1
48 . 1 1 16 16 LEU CA C 13 57.347 0.400 . 1 . . . . . 20 LEU CA . 27079 1
49 . 1 1 16 16 LEU CB C 13 40.797 0.400 . 1 . . . . . 20 LEU CB . 27079 1
50 . 1 1 16 16 LEU N N 15 119.455 0.400 . 1 . . . . . 20 LEU N . 27079 1
51 . 1 1 17 17 ASN H H 1 7.981 0.020 . 1 . . . . . 21 ASN H . 27079 1
52 . 1 1 17 17 ASN CA C 13 55.524 0.400 . 1 . . . . . 21 ASN CA . 27079 1
53 . 1 1 17 17 ASN CB C 13 37.688 0.400 . 1 . . . . . 21 ASN CB . 27079 1
54 . 1 1 17 17 ASN N N 15 119.570 0.400 . 1 . . . . . 21 ASN N . 27079 1
55 . 1 1 18 18 LEU H H 1 8.992 0.020 . 1 . . . . . 22 LEU H . 27079 1
56 . 1 1 18 18 LEU CA C 13 58.222 0.400 . 1 . . . . . 22 LEU CA . 27079 1
57 . 1 1 18 18 LEU CB C 13 39.670 0.400 . 1 . . . . . 22 LEU CB . 27079 1
58 . 1 1 18 18 LEU N N 15 124.414 0.400 . 1 . . . . . 22 LEU N . 27079 1
59 . 1 1 19 19 ASN H H 1 8.950 0.020 . 1 . . . . . 23 ASN H . 27079 1
60 . 1 1 19 19 ASN CA C 13 55.956 0.400 . 1 . . . . . 23 ASN CA . 27079 1
61 . 1 1 19 19 ASN CB C 13 37.535 0.400 . 1 . . . . . 23 ASN CB . 27079 1
62 . 1 1 19 19 ASN N N 15 119.177 0.400 . 1 . . . . . 23 ASN N . 27079 1
63 . 1 1 20 20 ARG H H 1 8.199 0.020 . 1 . . . . . 24 ARG H . 27079 1
64 . 1 1 20 20 ARG CA C 13 59.411 0.400 . 1 . . . . . 24 ARG CA . 27079 1
65 . 1 1 20 20 ARG CB C 13 28.946 0.400 . 1 . . . . . 24 ARG CB . 27079 1
66 . 1 1 20 20 ARG N N 15 121.904 0.400 . 1 . . . . . 24 ARG N . 27079 1
67 . 1 1 21 21 LEU H H 1 8.153 0.020 . 1 . . . . . 25 LEU H . 27079 1
68 . 1 1 21 21 LEU CA C 13 58.084 0.400 . 1 . . . . . 25 LEU CA . 27079 1
69 . 1 1 21 21 LEU CB C 13 39.170 0.400 . 1 . . . . . 25 LEU CB . 27079 1
70 . 1 1 21 21 LEU N N 15 118.675 0.400 . 1 . . . . . 25 LEU N . 27079 1
71 . 1 1 22 22 ARG H H 1 8.302 0.020 . 1 . . . . . 26 ARG H . 27079 1
72 . 1 1 22 22 ARG CA C 13 59.980 0.400 . 1 . . . . . 26 ARG CA . 27079 1
73 . 1 1 22 22 ARG CB C 13 28.726 0.400 . 1 . . . . . 26 ARG CB . 27079 1
74 . 1 1 22 22 ARG N N 15 120.056 0.400 . 1 . . . . . 26 ARG N . 27079 1
75 . 1 1 23 23 SER H H 1 8.576 0.020 . 1 . . . . . 27 SER H . 27079 1
76 . 1 1 23 23 SER CA C 13 61.238 0.400 . 1 . . . . . 27 SER CA . 27079 1
77 . 1 1 23 23 SER CB C 13 62.742 0.400 . 1 . . . . . 27 SER CB . 27079 1
78 . 1 1 23 23 SER N N 15 117.609 0.400 . 1 . . . . . 27 SER N . 27079 1
79 . 1 1 24 24 ARG H H 1 7.332 0.020 . 1 . . . . . 28 ARG H . 27079 1
80 . 1 1 24 24 ARG CA C 13 55.177 0.400 . 1 . . . . . 28 ARG CA . 27079 1
81 . 1 1 24 24 ARG CB C 13 30.204 0.400 . 1 . . . . . 28 ARG CB . 27079 1
82 . 1 1 24 24 ARG N N 15 119.148 0.400 . 1 . . . . . 28 ARG N . 27079 1
83 . 1 1 25 25 ASP H H 1 8.032 0.020 . 1 . . . . . 29 ASP H . 27079 1
84 . 1 1 25 25 ASP CA C 13 55.058 0.400 . 1 . . . . . 29 ASP CA . 27079 1
85 . 1 1 25 25 ASP CB C 13 39.836 0.400 . 1 . . . . . 29 ASP CB . 27079 1
86 . 1 1 25 25 ASP N N 15 122.120 0.400 . 1 . . . . . 29 ASP N . 27079 1
87 . 1 1 26 26 ILE H H 1 8.483 0.020 . 1 . . . . . 30 ILE H . 27079 1
88 . 1 1 26 26 ILE CA C 13 61.507 0.400 . 1 . . . . . 30 ILE CA . 27079 1
89 . 1 1 26 26 ILE CB C 13 37.089 0.400 . 1 . . . . . 30 ILE CB . 27079 1
90 . 1 1 26 26 ILE N N 15 119.588 0.400 . 1 . . . . . 30 ILE N . 27079 1
91 . 1 1 27 27 LEU H H 1 9.017 0.020 . 1 . . . . . 31 LEU H . 27079 1
92 . 1 1 27 27 LEU CA C 13 55.870 0.400 . 1 . . . . . 31 LEU CA . 27079 1
93 . 1 1 27 27 LEU CB C 13 37.937 0.400 . 1 . . . . . 31 LEU CB . 27079 1
94 . 1 1 27 27 LEU N N 15 124.333 0.400 . 1 . . . . . 31 LEU N . 27079 1
95 . 1 1 28 28 THR H H 1 6.985 0.020 . 1 . . . . . 32 THR H . 27079 1
96 . 1 1 28 28 THR CA C 13 61.783 0.400 . 1 . . . . . 32 THR CA . 27079 1
97 . 1 1 28 28 THR CB C 13 67.029 0.400 . 1 . . . . . 32 THR CB . 27079 1
98 . 1 1 28 28 THR N N 15 109.778 0.400 . 1 . . . . . 32 THR N . 27079 1
99 . 1 1 29 29 ASP H H 1 8.591 0.020 . 1 . . . . . 33 ASP H . 27079 1
100 . 1 1 29 29 ASP CA C 13 52.254 0.400 . 1 . . . . . 33 ASP CA . 27079 1
101 . 1 1 29 29 ASP CB C 13 40.172 0.400 . 1 . . . . . 33 ASP CB . 27079 1
102 . 1 1 29 29 ASP N N 15 124.164 0.400 . 1 . . . . . 33 ASP N . 27079 1
103 . 1 1 30 30 VAL H H 1 7.758 0.020 . 1 . . . . . 34 VAL H . 27079 1
104 . 1 1 30 30 VAL CA C 13 59.418 0.400 . 1 . . . . . 34 VAL CA . 27079 1
105 . 1 1 30 30 VAL CB C 13 33.632 0.400 . 1 . . . . . 34 VAL CB . 27079 1
106 . 1 1 30 30 VAL N N 15 118.171 0.400 . 1 . . . . . 34 VAL N . 27079 1
107 . 1 1 31 31 VAL H H 1 7.907 0.020 . 1 . . . . . 35 VAL H . 27079 1
108 . 1 1 31 31 VAL CA C 13 59.504 0.400 . 1 . . . . . 35 VAL CA . 27079 1
109 . 1 1 31 31 VAL CB C 13 33.454 0.400 . 1 . . . . . 35 VAL CB . 27079 1
110 . 1 1 31 31 VAL N N 15 127.147 0.400 . 1 . . . . . 35 VAL N . 27079 1
111 . 1 1 32 32 ILE CA C 13 57.557 0.400 . 1 . . . . . 36 ILE CA . 27079 1
112 . 1 1 32 32 ILE CB C 13 36.555 0.400 . 1 . . . . . 36 ILE CB . 27079 1
113 . 1 1 33 33 VAL H H 1 9.014 0.020 . 1 . . . . . 37 VAL H . 27079 1
114 . 1 1 33 33 VAL CA C 13 61.204 0.400 . 1 . . . . . 37 VAL CA . 27079 1
115 . 1 1 33 33 VAL CB C 13 31.354 0.400 . 1 . . . . . 37 VAL CB . 27079 1
116 . 1 1 33 33 VAL N N 15 129.526 0.400 . 1 . . . . . 37 VAL N . 27079 1
117 . 1 1 34 34 VAL H H 1 8.785 0.020 . 1 . . . . . 38 VAL H . 27079 1
118 . 1 1 34 34 VAL CA C 13 60.081 0.400 . 1 . . . . . 38 VAL CA . 27079 1
119 . 1 1 34 34 VAL CB C 13 32.193 0.400 . 1 . . . . . 38 VAL CB . 27079 1
120 . 1 1 34 34 VAL N N 15 129.320 0.400 . 1 . . . . . 38 VAL N . 27079 1
121 . 1 1 35 35 SER H H 1 8.927 0.020 . 1 . . . . . 39 SER H . 27079 1
122 . 1 1 35 35 SER CA C 13 59.398 0.400 . 1 . . . . . 39 SER CA . 27079 1
123 . 1 1 35 35 SER CB C 13 60.901 0.400 . 1 . . . . . 39 SER CB . 27079 1
124 . 1 1 35 35 SER N N 15 122.759 0.400 . 1 . . . . . 39 SER N . 27079 1
125 . 1 1 36 36 ARG H H 1 8.133 0.020 . 1 . . . . . 40 ARG H . 27079 1
126 . 1 1 36 36 ARG CA C 13 56.829 0.400 . 1 . . . . . 40 ARG CA . 27079 1
127 . 1 1 36 36 ARG CB C 13 28.640 0.400 . 1 . . . . . 40 ARG CB . 27079 1
128 . 1 1 36 36 ARG N N 15 117.512 0.400 . 1 . . . . . 40 ARG N . 27079 1
129 . 1 1 37 37 GLU H H 1 8.163 0.020 . 1 . . . . . 41 GLU H . 27079 1
130 . 1 1 37 37 GLU CA C 13 55.010 0.400 . 1 . . . . . 41 GLU CA . 27079 1
131 . 1 1 37 37 GLU CB C 13 30.389 0.400 . 1 . . . . . 41 GLU CB . 27079 1
132 . 1 1 37 37 GLU N N 15 122.719 0.400 . 1 . . . . . 41 GLU N . 27079 1
133 . 1 1 38 38 GLN H H 1 7.959 0.020 . 1 . . . . . 42 GLN H . 27079 1
134 . 1 1 38 38 GLN CA C 13 54.066 0.400 . 1 . . . . . 42 GLN CA . 27079 1
135 . 1 1 38 38 GLN CB C 13 30.346 0.400 . 1 . . . . . 42 GLN CB . 27079 1
136 . 1 1 38 38 GLN N N 15 118.559 0.400 . 1 . . . . . 42 GLN N . 27079 1
137 . 1 1 39 39 PHE H H 1 9.057 0.020 . 1 . . . . . 43 PHE H . 27079 1
138 . 1 1 39 39 PHE CA C 13 56.191 0.400 . 1 . . . . . 43 PHE CA . 27079 1
139 . 1 1 39 39 PHE CB C 13 41.557 0.400 . 1 . . . . . 43 PHE CB . 27079 1
140 . 1 1 39 39 PHE N N 15 121.674 0.400 . 1 . . . . . 43 PHE N . 27079 1
141 . 1 1 40 40 ARG H H 1 8.616 0.020 . 1 . . . . . 44 ARG H . 27079 1
142 . 1 1 40 40 ARG CA C 13 55.365 0.400 . 1 . . . . . 44 ARG CA . 27079 1
143 . 1 1 40 40 ARG CB C 13 30.622 0.400 . 1 . . . . . 44 ARG CB . 27079 1
144 . 1 1 40 40 ARG N N 15 123.050 0.400 . 1 . . . . . 44 ARG N . 27079 1
145 . 1 1 41 41 ALA H H 1 8.065 0.020 . 1 . . . . . 45 ALA H . 27079 1
146 . 1 1 41 41 ALA CA C 13 50.477 0.400 . 1 . . . . . 45 ALA CA . 27079 1
147 . 1 1 41 41 ALA CB C 13 21.695 0.400 . 1 . . . . . 45 ALA CB . 27079 1
148 . 1 1 41 41 ALA N N 15 120.303 0.400 . 1 . . . . . 45 ALA N . 27079 1
149 . 1 1 42 42 HIS H H 1 7.162 0.020 . 1 . . . . . 46 HIS H . 27079 1
150 . 1 1 42 42 HIS CA C 13 55.240 0.400 . 1 . . . . . 46 HIS CA . 27079 1
151 . 1 1 42 42 HIS CB C 13 30.361 0.400 . 1 . . . . . 46 HIS CB . 27079 1
152 . 1 1 42 42 HIS N N 15 116.588 0.400 . 1 . . . . . 46 HIS N . 27079 1
153 . 1 1 43 43 LYS H H 1 11.160 0.020 . 1 . . . . . 47 LYS H . 27079 1
154 . 1 1 43 43 LYS CA C 13 61.137 0.400 . 1 . . . . . 47 LYS CA . 27079 1
155 . 1 1 43 43 LYS CB C 13 32.591 0.400 . 1 . . . . . 47 LYS CB . 27079 1
156 . 1 1 43 43 LYS N N 15 130.000 0.400 . 1 . . . . . 47 LYS N . 27079 1
157 . 1 1 44 44 THR H H 1 8.610 0.020 . 1 . . . . . 48 THR H . 27079 1
158 . 1 1 44 44 THR CA C 13 64.672 0.400 . 1 . . . . . 48 THR CA . 27079 1
159 . 1 1 44 44 THR CB C 13 67.171 0.400 . 1 . . . . . 48 THR CB . 27079 1
160 . 1 1 44 44 THR N N 15 106.651 0.400 . 1 . . . . . 48 THR N . 27079 1
161 . 1 1 45 45 VAL H H 1 6.427 0.020 . 1 . . . . . 49 VAL H . 27079 1
162 . 1 1 45 45 VAL CA C 13 66.392 0.400 . 1 . . . . . 49 VAL CA . 27079 1
163 . 1 1 45 45 VAL CB C 13 30.343 0.400 . 1 . . . . . 49 VAL CB . 27079 1
164 . 1 1 45 45 VAL N N 15 119.814 0.400 . 1 . . . . . 49 VAL N . 27079 1
165 . 1 1 46 46 LEU H H 1 7.381 0.020 . 1 . . . . . 50 LEU H . 27079 1
166 . 1 1 46 46 LEU CA C 13 57.970 0.400 . 1 . . . . . 50 LEU CA . 27079 1
167 . 1 1 46 46 LEU CB C 13 39.368 0.400 . 1 . . . . . 50 LEU CB . 27079 1
168 . 1 1 46 46 LEU N N 15 117.747 0.400 . 1 . . . . . 50 LEU N . 27079 1
169 . 1 1 47 47 MET H H 1 8.505 0.020 . 1 . . . . . 51 MET H . 27079 1
170 . 1 1 47 47 MET CA C 13 58.546 0.400 . 1 . . . . . 51 MET CA . 27079 1
171 . 1 1 47 47 MET CB C 13 34.197 0.400 . 1 . . . . . 51 MET CB . 27079 1
172 . 1 1 47 47 MET N N 15 115.775 0.400 . 1 . . . . . 51 MET N . 27079 1
173 . 1 1 48 48 ALA H H 1 7.633 0.020 . 1 . . . . . 52 ALA H . 27079 1
174 . 1 1 48 48 ALA CA C 13 52.827 0.400 . 1 . . . . . 52 ALA CA . 27079 1
175 . 1 1 48 48 ALA CB C 13 18.976 0.400 . 1 . . . . . 52 ALA CB . 27079 1
176 . 1 1 48 48 ALA N N 15 118.933 0.400 . 1 . . . . . 52 ALA N . 27079 1
177 . 1 1 49 49 CYS H H 1 7.191 0.020 . 1 . . . . . 53 CYS H . 27079 1
178 . 1 1 49 49 CYS CA C 13 59.725 0.400 . 1 . . . . . 53 CYS CA . 27079 1
179 . 1 1 49 49 CYS CB C 13 30.261 0.400 . 1 . . . . . 53 CYS CB . 27079 1
180 . 1 1 49 49 CYS N N 15 111.184 0.400 . 1 . . . . . 53 CYS N . 27079 1
181 . 1 1 50 50 SER H H 1 7.784 0.020 . 1 . . . . . 54 SER H . 27079 1
182 . 1 1 50 50 SER CA C 13 55.550 0.400 . 1 . . . . . 54 SER CA . 27079 1
183 . 1 1 50 50 SER CB C 13 64.033 0.400 . 1 . . . . . 54 SER CB . 27079 1
184 . 1 1 50 50 SER N N 15 114.775 0.400 . 1 . . . . . 54 SER N . 27079 1
185 . 1 1 51 51 GLY H H 1 8.578 0.020 . 1 . . . . . 55 GLY H . 27079 1
186 . 1 1 51 51 GLY CA C 13 47.019 0.400 . 1 . . . . . 55 GLY CA . 27079 1
187 . 1 1 51 51 GLY N N 15 118.286 0.400 . 1 . . . . . 55 GLY N . 27079 1
188 . 1 1 52 52 LEU H H 1 7.103 0.020 . 1 . . . . . 56 LEU H . 27079 1
189 . 1 1 52 52 LEU CA C 13 57.141 0.400 . 1 . . . . . 56 LEU CA . 27079 1
190 . 1 1 52 52 LEU CB C 13 40.493 0.400 . 1 . . . . . 56 LEU CB . 27079 1
191 . 1 1 52 52 LEU N N 15 122.351 0.400 . 1 . . . . . 56 LEU N . 27079 1
192 . 1 1 53 53 PHE H H 1 7.371 0.020 . 1 . . . . . 57 PHE H . 27079 1
193 . 1 1 53 53 PHE CA C 13 61.024 0.400 . 1 . . . . . 57 PHE CA . 27079 1
194 . 1 1 53 53 PHE CB C 13 36.513 0.400 . 1 . . . . . 57 PHE CB . 27079 1
195 . 1 1 53 53 PHE N N 15 116.108 0.400 . 1 . . . . . 57 PHE N . 27079 1
196 . 1 1 54 54 TYR H H 1 8.771 0.020 . 1 . . . . . 58 TYR H . 27079 1
197 . 1 1 54 54 TYR CA C 13 62.611 0.400 . 1 . . . . . 58 TYR CA . 27079 1
198 . 1 1 54 54 TYR CB C 13 37.024 0.400 . 1 . . . . . 58 TYR CB . 27079 1
199 . 1 1 54 54 TYR N N 15 121.240 0.400 . 1 . . . . . 58 TYR N . 27079 1
200 . 1 1 55 55 SER H H 1 7.916 0.020 . 1 . . . . . 59 SER H . 27079 1
201 . 1 1 55 55 SER CA C 13 61.529 0.400 . 1 . . . . . 59 SER CA . 27079 1
202 . 1 1 55 55 SER CB C 13 62.770 0.400 . 1 . . . . . 59 SER CB . 27079 1
203 . 1 1 55 55 SER N N 15 116.050 0.400 . 1 . . . . . 59 SER N . 27079 1
204 . 1 1 56 56 ILE H H 1 7.852 0.020 . 1 . . . . . 60 ILE H . 27079 1
205 . 1 1 56 56 ILE CA C 13 65.168 0.400 . 1 . . . . . 60 ILE CA . 27079 1
206 . 1 1 56 56 ILE CB C 13 37.738 0.400 . 1 . . . . . 60 ILE CB . 27079 1
207 . 1 1 56 56 ILE N N 15 122.108 0.400 . 1 . . . . . 60 ILE N . 27079 1
208 . 1 1 57 57 PHE H H 1 7.631 0.020 . 1 . . . . . 61 PHE H . 27079 1
209 . 1 1 57 57 PHE CA C 13 58.442 0.400 . 1 . . . . . 61 PHE CA . 27079 1
210 . 1 1 57 57 PHE CB C 13 37.949 0.400 . 1 . . . . . 61 PHE CB . 27079 1
211 . 1 1 57 57 PHE N N 15 111.498 0.400 . 1 . . . . . 61 PHE N . 27079 1
212 . 1 1 58 58 THR H H 1 7.212 0.020 . 1 . . . . . 62 THR H . 27079 1
213 . 1 1 58 58 THR CA C 13 62.319 0.400 . 1 . . . . . 62 THR CA . 27079 1
214 . 1 1 58 58 THR CB C 13 69.098 0.400 . 1 . . . . . 62 THR CB . 27079 1
215 . 1 1 58 58 THR N N 15 107.503 0.400 . 1 . . . . . 62 THR N . 27079 1
216 . 1 1 59 59 ASP H H 1 7.077 0.020 . 1 . . . . . 63 ASP H . 27079 1
217 . 1 1 59 59 ASP CA C 13 53.972 0.400 . 1 . . . . . 63 ASP CA . 27079 1
218 . 1 1 59 59 ASP CB C 13 41.721 0.400 . 1 . . . . . 63 ASP CB . 27079 1
219 . 1 1 59 59 ASP N N 15 125.460 0.400 . 1 . . . . . 63 ASP N . 27079 1
220 . 1 1 60 60 GLN H H 1 8.935 0.020 . 1 . . . . . 64 GLN H . 27079 1
221 . 1 1 60 60 GLN CA C 13 58.430 0.400 . 1 . . . . . 64 GLN CA . 27079 1
222 . 1 1 60 60 GLN CB C 13 27.785 0.400 . 1 . . . . . 64 GLN CB . 27079 1
223 . 1 1 60 60 GLN N N 15 127.015 0.400 . 1 . . . . . 64 GLN N . 27079 1
224 . 1 1 61 61 LEU H H 1 8.372 0.020 . 1 . . . . . 65 LEU H . 27079 1
225 . 1 1 61 61 LEU CA C 13 55.876 0.400 . 1 . . . . . 65 LEU CA . 27079 1
226 . 1 1 61 61 LEU CB C 13 40.774 0.400 . 1 . . . . . 65 LEU CB . 27079 1
227 . 1 1 61 61 LEU N N 15 118.036 0.400 . 1 . . . . . 65 LEU N . 27079 1
228 . 1 1 62 62 LYS H H 1 8.028 0.020 . 1 . . . . . 66 LYS H . 27079 1
229 . 1 1 62 62 LYS CA C 13 56.523 0.400 . 1 . . . . . 66 LYS CA . 27079 1
230 . 1 1 62 62 LYS CB C 13 32.684 0.400 . 1 . . . . . 66 LYS CB . 27079 1
231 . 1 1 62 62 LYS N N 15 119.421 0.400 . 1 . . . . . 66 LYS N . 27079 1
232 . 1 1 63 63 ARG H H 1 7.713 0.020 . 1 . . . . . 67 ARG H . 27079 1
233 . 1 1 63 63 ARG CA C 13 58.794 0.400 . 1 . . . . . 67 ARG CA . 27079 1
234 . 1 1 63 63 ARG CB C 13 29.579 0.400 . 1 . . . . . 67 ARG CB . 27079 1
235 . 1 1 63 63 ARG N N 15 118.209 0.400 . 1 . . . . . 67 ARG N . 27079 1
236 . 1 1 64 64 ASN H H 1 8.011 0.020 . 1 . . . . . 68 ASN H . 27079 1
237 . 1 1 64 64 ASN CA C 13 52.455 0.400 . 1 . . . . . 68 ASN CA . 27079 1
238 . 1 1 64 64 ASN CB C 13 38.184 0.400 . 1 . . . . . 68 ASN CB . 27079 1
239 . 1 1 64 64 ASN N N 15 114.279 0.400 . 1 . . . . . 68 ASN N . 27079 1
240 . 1 1 65 65 LEU H H 1 7.640 0.020 . 1 . . . . . 69 LEU H . 27079 1
241 . 1 1 65 65 LEU CA C 13 55.504 0.400 . 1 . . . . . 69 LEU CA . 27079 1
242 . 1 1 65 65 LEU CB C 13 41.639 0.400 . 1 . . . . . 69 LEU CB . 27079 1
243 . 1 1 65 65 LEU N N 15 122.449 0.400 . 1 . . . . . 69 LEU N . 27079 1
244 . 1 1 66 66 SER H H 1 8.735 0.020 . 1 . . . . . 70 SER H . 27079 1
245 . 1 1 66 66 SER CA C 13 58.259 0.400 . 1 . . . . . 70 SER CA . 27079 1
246 . 1 1 66 66 SER CB C 13 64.134 0.400 . 1 . . . . . 70 SER CB . 27079 1
247 . 1 1 66 66 SER N N 15 115.917 0.400 . 1 . . . . . 70 SER N . 27079 1
248 . 1 1 67 67 VAL H H 1 7.294 0.020 . 1 . . . . . 71 VAL H . 27079 1
249 . 1 1 67 67 VAL CA C 13 60.442 0.400 . 1 . . . . . 71 VAL CA . 27079 1
250 . 1 1 67 67 VAL CB C 13 34.185 0.400 . 1 . . . . . 71 VAL CB . 27079 1
251 . 1 1 67 67 VAL N N 15 123.642 0.400 . 1 . . . . . 71 VAL N . 27079 1
252 . 1 1 68 68 ILE H H 1 8.774 0.020 . 1 . . . . . 72 ILE H . 27079 1
253 . 1 1 68 68 ILE CA C 13 57.215 0.400 . 1 . . . . . 72 ILE CA . 27079 1
254 . 1 1 68 68 ILE CB C 13 39.072 0.400 . 1 . . . . . 72 ILE CB . 27079 1
255 . 1 1 68 68 ILE N N 15 126.180 0.400 . 1 . . . . . 72 ILE N . 27079 1
256 . 1 1 69 69 ASN H H 1 8.680 0.020 . 1 . . . . . 73 ASN H . 27079 1
257 . 1 1 69 69 ASN CA C 13 51.910 0.400 . 1 . . . . . 73 ASN CA . 27079 1
258 . 1 1 69 69 ASN CB C 13 39.106 0.400 . 1 . . . . . 73 ASN CB . 27079 1
259 . 1 1 69 69 ASN N N 15 125.988 0.400 . 1 . . . . . 73 ASN N . 27079 1
260 . 1 1 70 70 LEU H H 1 8.148 0.020 . 1 . . . . . 74 LEU H . 27079 1
261 . 1 1 70 70 LEU CA C 13 53.090 0.400 . 1 . . . . . 74 LEU CA . 27079 1
262 . 1 1 70 70 LEU CB C 13 39.734 0.400 . 1 . . . . . 74 LEU CB . 27079 1
263 . 1 1 70 70 LEU N N 15 121.660 0.400 . 1 . . . . . 74 LEU N . 27079 1
264 . 1 1 71 71 ASP H H 1 7.060 0.020 . 1 . . . . . 75 ASP H . 27079 1
265 . 1 1 71 71 ASP CA C 13 53.007 0.400 . 1 . . . . . 75 ASP CA . 27079 1
266 . 1 1 71 71 ASP CB C 13 41.001 0.400 . 1 . . . . . 75 ASP CB . 27079 1
267 . 1 1 71 71 ASP N N 15 121.330 0.400 . 1 . . . . . 75 ASP N . 27079 1
268 . 1 1 72 72 PRO CA C 13 62.206 0.400 . 1 . . . . . 76 PRO CA . 27079 1
269 . 1 1 72 72 PRO CB C 13 31.073 0.400 . 1 . . . . . 76 PRO CB . 27079 1
270 . 1 1 73 73 GLU H H 1 8.642 0.020 . 1 . . . . . 77 GLU H . 27079 1
271 . 1 1 73 73 GLU CA C 13 56.544 0.400 . 1 . . . . . 77 GLU CA . 27079 1
272 . 1 1 73 73 GLU CB C 13 28.279 0.400 . 1 . . . . . 77 GLU CB . 27079 1
273 . 1 1 73 73 GLU N N 15 117.725 0.400 . 1 . . . . . 77 GLU N . 27079 1
274 . 1 1 74 74 ILE H H 1 7.403 0.020 . 1 . . . . . 78 ILE H . 27079 1
275 . 1 1 74 74 ILE CA C 13 58.125 0.400 . 1 . . . . . 78 ILE CA . 27079 1
276 . 1 1 74 74 ILE CB C 13 34.001 0.400 . 1 . . . . . 78 ILE CB . 27079 1
277 . 1 1 74 74 ILE N N 15 121.241 0.400 . 1 . . . . . 78 ILE N . 27079 1
278 . 1 1 75 75 ASN H H 1 8.760 0.020 . 1 . . . . . 79 ASN H . 27079 1
279 . 1 1 75 75 ASN CA C 13 50.719 0.400 . 1 . . . . . 79 ASN CA . 27079 1
280 . 1 1 75 75 ASN CB C 13 40.186 0.400 . 1 . . . . . 79 ASN CB . 27079 1
281 . 1 1 75 75 ASN N N 15 128.176 0.400 . 1 . . . . . 79 ASN N . 27079 1
282 . 1 1 76 76 PRO CA C 13 65.570 0.400 . 1 . . . . . 80 PRO CA . 27079 1
283 . 1 1 76 76 PRO CB C 13 31.069 0.400 . 1 . . . . . 80 PRO CB . 27079 1
284 . 1 1 77 77 GLU H H 1 7.975 0.020 . 1 . . . . . 81 GLU H . 27079 1
285 . 1 1 77 77 GLU CA C 13 58.935 0.400 . 1 . . . . . 81 GLU CA . 27079 1
286 . 1 1 77 77 GLU CB C 13 28.235 0.400 . 1 . . . . . 81 GLU CB . 27079 1
287 . 1 1 77 77 GLU N N 15 119.596 0.400 . 1 . . . . . 81 GLU N . 27079 1
288 . 1 1 78 78 GLY H H 1 8.128 0.020 . 1 . . . . . 82 GLY H . 27079 1
289 . 1 1 78 78 GLY CA C 13 46.229 0.400 . 1 . . . . . 82 GLY CA . 27079 1
290 . 1 1 78 78 GLY N N 15 105.765 0.400 . 1 . . . . . 82 GLY N . 27079 1
291 . 1 1 79 79 PHE H H 1 7.928 0.020 . 1 . . . . . 83 PHE H . 27079 1
292 . 1 1 79 79 PHE CA C 13 62.622 0.400 . 1 . . . . . 83 PHE CA . 27079 1
293 . 1 1 79 79 PHE CB C 13 38.374 0.400 . 1 . . . . . 83 PHE CB . 27079 1
294 . 1 1 79 79 PHE N N 15 119.562 0.400 . 1 . . . . . 83 PHE N . 27079 1
295 . 1 1 80 80 ASN H H 1 8.527 0.020 . 1 . . . . . 84 ASN H . 27079 1
296 . 1 1 80 80 ASN CA C 13 56.318 0.400 . 1 . . . . . 84 ASN CA . 27079 1
297 . 1 1 80 80 ASN CB C 13 38.887 0.400 . 1 . . . . . 84 ASN CB . 27079 1
298 . 1 1 80 80 ASN N N 15 118.714 0.400 . 1 . . . . . 84 ASN N . 27079 1
299 . 1 1 81 81 ILE H H 1 7.760 0.020 . 1 . . . . . 85 ILE H . 27079 1
300 . 1 1 81 81 ILE CA C 13 63.456 0.400 . 1 . . . . . 85 ILE CA . 27079 1
301 . 1 1 81 81 ILE CB C 13 37.079 0.400 . 1 . . . . . 85 ILE CB . 27079 1
302 . 1 1 81 81 ILE N N 15 118.330 0.400 . 1 . . . . . 85 ILE N . 27079 1
303 . 1 1 84 84 ASP CA C 13 60.141 0.400 . 1 . . . . . 88 ASP CA . 27079 1
304 . 1 1 84 84 ASP CB C 13 37.344 0.400 . 1 . . . . . 88 ASP CB . 27079 1
305 . 1 1 85 85 PHE H H 1 8.356 0.020 . 1 . . . . . 89 PHE H . 27079 1
306 . 1 1 85 85 PHE CA C 13 59.867 0.400 . 1 . . . . . 89 PHE CA . 27079 1
307 . 1 1 85 85 PHE CB C 13 33.252 0.400 . 1 . . . . . 89 PHE CB . 27079 1
308 . 1 1 85 85 PHE N N 15 120.520 0.400 . 1 . . . . . 89 PHE N . 27079 1
309 . 1 1 86 86 MET H H 1 9.380 0.020 . 1 . . . . . 90 MET H . 27079 1
310 . 1 1 86 86 MET N N 15 127.923 0.400 . 1 . . . . . 90 MET N . 27079 1
311 . 1 1 88 88 THR CA C 13 64.067 0.400 . 1 . . . . . 92 THR CA . 27079 1
312 . 1 1 88 88 THR CB C 13 73.353 0.400 . 1 . . . . . 92 THR CB . 27079 1
313 . 1 1 89 89 SER H H 1 8.638 0.020 . 1 . . . . . 93 SER H . 27079 1
314 . 1 1 89 89 SER CA C 13 60.801 0.400 . 1 . . . . . 93 SER CA . 27079 1
315 . 1 1 89 89 SER CB C 13 63.221 0.400 . 1 . . . . . 93 SER CB . 27079 1
316 . 1 1 89 89 SER N N 15 117.703 0.400 . 1 . . . . . 93 SER N . 27079 1
317 . 1 1 90 90 ARG H H 1 7.917 0.020 . 1 . . . . . 94 ARG H . 27079 1
318 . 1 1 90 90 ARG CA C 13 54.592 0.400 . 1 . . . . . 94 ARG CA . 27079 1
319 . 1 1 90 90 ARG CB C 13 31.002 0.400 . 1 . . . . . 94 ARG CB . 27079 1
320 . 1 1 90 90 ARG N N 15 121.222 0.400 . 1 . . . . . 94 ARG N . 27079 1
321 . 1 1 91 91 LEU H H 1 9.165 0.020 . 1 . . . . . 95 LEU H . 27079 1
322 . 1 1 91 91 LEU CA C 13 52.522 0.400 . 1 . . . . . 95 LEU CA . 27079 1
323 . 1 1 91 91 LEU CB C 13 43.805 0.400 . 1 . . . . . 95 LEU CB . 27079 1
324 . 1 1 91 91 LEU N N 15 127.702 0.400 . 1 . . . . . 95 LEU N . 27079 1
325 . 1 1 92 92 ASN H H 1 8.103 0.020 . 1 . . . . . 96 ASN H . 27079 1
326 . 1 1 92 92 ASN CA C 13 52.514 0.400 . 1 . . . . . 96 ASN CA . 27079 1
327 . 1 1 92 92 ASN CB C 13 37.757 0.400 . 1 . . . . . 96 ASN CB . 27079 1
328 . 1 1 92 92 ASN N N 15 128.018 0.400 . 1 . . . . . 96 ASN N . 27079 1
329 . 1 1 93 93 LEU H H 1 7.758 0.020 . 1 . . . . . 97 LEU H . 27079 1
330 . 1 1 93 93 LEU CA C 13 53.162 0.400 . 1 . . . . . 97 LEU CA . 27079 1
331 . 1 1 93 93 LEU CB C 13 42.639 0.400 . 1 . . . . . 97 LEU CB . 27079 1
332 . 1 1 93 93 LEU N N 15 123.019 0.400 . 1 . . . . . 97 LEU N . 27079 1
333 . 1 1 94 94 ARG H H 1 8.415 0.020 . 1 . . . . . 98 ARG H . 27079 1
334 . 1 1 94 94 ARG CA C 13 54.118 0.400 . 1 . . . . . 98 ARG CA . 27079 1
335 . 1 1 94 94 ARG CB C 13 32.353 0.400 . 1 . . . . . 98 ARG CB . 27079 1
336 . 1 1 94 94 ARG N N 15 120.278 0.400 . 1 . . . . . 98 ARG N . 27079 1
337 . 1 1 95 95 GLU H H 1 9.024 0.020 . 1 . . . . . 99 GLU H . 27079 1
338 . 1 1 95 95 GLU N N 15 123.118 0.400 . 1 . . . . . 99 GLU N . 27079 1
339 . 1 1 96 96 GLY CA C 13 45.167 0.400 . 1 . . . . . 100 GLY CA . 27079 1
340 . 1 1 97 97 ASN H H 1 7.622 0.020 . 1 . . . . . 101 ASN H . 27079 1
341 . 1 1 97 97 ASN CA C 13 51.599 0.400 . 1 . . . . . 101 ASN CA . 27079 1
342 . 1 1 97 97 ASN CB C 13 39.105 0.400 . 1 . . . . . 101 ASN CB . 27079 1
343 . 1 1 97 97 ASN N N 15 116.224 0.400 . 1 . . . . . 101 ASN N . 27079 1
344 . 1 1 98 98 ILE H H 1 7.428 0.020 . 1 . . . . . 102 ILE H . 27079 1
345 . 1 1 98 98 ILE CA C 13 61.391 0.400 . 1 . . . . . 102 ILE CA . 27079 1
346 . 1 1 98 98 ILE CB C 13 39.257 0.400 . 1 . . . . . 102 ILE CB . 27079 1
347 . 1 1 98 98 ILE N N 15 120.759 0.400 . 1 . . . . . 102 ILE N . 27079 1
348 . 1 1 99 99 MET H H 1 8.003 0.020 . 1 . . . . . 103 MET H . 27079 1
349 . 1 1 99 99 MET CA C 13 57.160 0.400 . 1 . . . . . 103 MET CA . 27079 1
350 . 1 1 99 99 MET CB C 13 29.075 0.400 . 1 . . . . . 103 MET CB . 27079 1
351 . 1 1 99 99 MET N N 15 125.844 0.400 . 1 . . . . . 103 MET N . 27079 1
352 . 1 1 100 100 ALA H H 1 7.943 0.020 . 1 . . . . . 104 ALA H . 27079 1
353 . 1 1 100 100 ALA CA C 13 54.229 0.400 . 1 . . . . . 104 ALA CA . 27079 1
354 . 1 1 100 100 ALA CB C 13 17.244 0.400 . 1 . . . . . 104 ALA CB . 27079 1
355 . 1 1 100 100 ALA N N 15 124.220 0.400 . 1 . . . . . 104 ALA N . 27079 1
356 . 1 1 101 101 VAL H H 1 8.555 0.020 . 1 . . . . . 105 VAL H . 27079 1
357 . 1 1 101 101 VAL CA C 13 67.023 0.400 . 1 . . . . . 105 VAL CA . 27079 1
358 . 1 1 101 101 VAL CB C 13 30.351 0.400 . 1 . . . . . 105 VAL CB . 27079 1
359 . 1 1 101 101 VAL N N 15 123.404 0.400 . 1 . . . . . 105 VAL N . 27079 1
360 . 1 1 102 102 MET H H 1 8.762 0.020 . 1 . . . . . 106 MET H . 27079 1
361 . 1 1 102 102 MET CA C 13 60.224 0.400 . 1 . . . . . 106 MET CA . 27079 1
362 . 1 1 102 102 MET CB C 13 32.650 0.400 . 1 . . . . . 106 MET CB . 27079 1
363 . 1 1 102 102 MET N N 15 121.274 0.400 . 1 . . . . . 106 MET N . 27079 1
364 . 1 1 103 103 ALA H H 1 8.227 0.020 . 1 . . . . . 107 ALA H . 27079 1
365 . 1 1 103 103 ALA CA C 13 54.661 0.400 . 1 . . . . . 107 ALA CA . 27079 1
366 . 1 1 103 103 ALA CB C 13 17.757 0.400 . 1 . . . . . 107 ALA CB . 27079 1
367 . 1 1 103 103 ALA N N 15 120.058 0.400 . 1 . . . . . 107 ALA N . 27079 1
368 . 1 1 104 104 THR H H 1 7.886 0.020 . 1 . . . . . 108 THR H . 27079 1
369 . 1 1 104 104 THR CA C 13 66.868 0.400 . 1 . . . . . 108 THR CA . 27079 1
370 . 1 1 104 104 THR N N 15 116.629 0.400 . 1 . . . . . 108 THR N . 27079 1
371 . 1 1 105 105 ALA H H 1 8.801 0.020 . 1 . . . . . 109 ALA H . 27079 1
372 . 1 1 105 105 ALA CA C 13 54.964 0.400 . 1 . . . . . 109 ALA CA . 27079 1
373 . 1 1 105 105 ALA CB C 13 17.380 0.400 . 1 . . . . . 109 ALA CB . 27079 1
374 . 1 1 105 105 ALA N N 15 125.903 0.400 . 1 . . . . . 109 ALA N . 27079 1
375 . 1 1 106 106 MET H H 1 8.114 0.020 . 1 . . . . . 110 MET H . 27079 1
376 . 1 1 106 106 MET CA C 13 58.513 0.400 . 1 . . . . . 110 MET CA . 27079 1
377 . 1 1 106 106 MET CB C 13 32.034 0.400 . 1 . . . . . 110 MET CB . 27079 1
378 . 1 1 106 106 MET N N 15 119.057 0.400 . 1 . . . . . 110 MET N . 27079 1
379 . 1 1 107 107 TYR H H 1 7.532 0.020 . 1 . . . . . 111 TYR H . 27079 1
380 . 1 1 107 107 TYR CA C 13 60.149 0.400 . 1 . . . . . 111 TYR CA . 27079 1
381 . 1 1 107 107 TYR CB C 13 37.769 0.400 . 1 . . . . . 111 TYR CB . 27079 1
382 . 1 1 107 107 TYR N N 15 123.502 0.400 . 1 . . . . . 111 TYR N . 27079 1
383 . 1 1 108 108 LEU H H 1 8.210 0.020 . 1 . . . . . 112 LEU H . 27079 1
384 . 1 1 108 108 LEU CA C 13 54.421 0.400 . 1 . . . . . 112 LEU CA . 27079 1
385 . 1 1 108 108 LEU CB C 13 41.077 0.400 . 1 . . . . . 112 LEU CB . 27079 1
386 . 1 1 108 108 LEU N N 15 113.103 0.400 . 1 . . . . . 112 LEU N . 27079 1
387 . 1 1 109 109 GLN H H 1 7.841 0.020 . 1 . . . . . 113 GLN H . 27079 1
388 . 1 1 109 109 GLN CA C 13 56.223 0.400 . 1 . . . . . 113 GLN CA . 27079 1
389 . 1 1 109 109 GLN CB C 13 24.035 0.400 . 1 . . . . . 113 GLN CB . 27079 1
390 . 1 1 109 109 GLN N N 15 120.005 0.400 . 1 . . . . . 113 GLN N . 27079 1
391 . 1 1 110 110 MET H H 1 7.895 0.020 . 1 . . . . . 114 MET H . 27079 1
392 . 1 1 110 110 MET CA C 13 53.734 0.400 . 1 . . . . . 114 MET CA . 27079 1
393 . 1 1 110 110 MET CB C 13 32.948 0.400 . 1 . . . . . 114 MET CB . 27079 1
394 . 1 1 110 110 MET N N 15 122.792 0.400 . 1 . . . . . 114 MET N . 27079 1
395 . 1 1 111 111 GLU H H 1 8.472 0.020 . 1 . . . . . 115 GLU H . 27079 1
396 . 1 1 111 111 GLU CA C 13 59.584 0.400 . 1 . . . . . 115 GLU CA . 27079 1
397 . 1 1 111 111 GLU CB C 13 28.558 0.400 . 1 . . . . . 115 GLU CB . 27079 1
398 . 1 1 111 111 GLU N N 15 123.666 0.400 . 1 . . . . . 115 GLU N . 27079 1
399 . 1 1 112 112 HIS CA C 13 58.066 0.400 . 1 . . . . . 116 HIS CA . 27079 1
400 . 1 1 112 112 HIS CB C 13 28.350 0.400 . 1 . . . . . 116 HIS CB . 27079 1
401 . 1 1 113 113 VAL H H 1 7.090 0.020 . 1 . . . . . 117 VAL H . 27079 1
402 . 1 1 113 113 VAL CA C 13 65.926 0.400 . 1 . . . . . 117 VAL CA . 27079 1
403 . 1 1 113 113 VAL CB C 13 30.326 0.400 . 1 . . . . . 117 VAL CB . 27079 1
404 . 1 1 113 113 VAL N N 15 122.295 0.400 . 1 . . . . . 117 VAL N . 27079 1
405 . 1 1 114 114 VAL H H 1 7.608 0.020 . 1 . . . . . 118 VAL H . 27079 1
406 . 1 1 114 114 VAL CA C 13 67.676 0.400 . 1 . . . . . 118 VAL CA . 27079 1
407 . 1 1 114 114 VAL CB C 13 30.617 0.400 . 1 . . . . . 118 VAL CB . 27079 1
408 . 1 1 114 114 VAL N N 15 122.533 0.400 . 1 . . . . . 118 VAL N . 27079 1
409 . 1 1 115 115 ASP H H 1 8.195 0.020 . 1 . . . . . 119 ASP H . 27079 1
410 . 1 1 115 115 ASP CA C 13 57.400 0.400 . 1 . . . . . 119 ASP CA . 27079 1
411 . 1 1 115 115 ASP CB C 13 40.480 0.400 . 1 . . . . . 119 ASP CB . 27079 1
412 . 1 1 115 115 ASP N N 15 118.127 0.400 . 1 . . . . . 119 ASP N . 27079 1
413 . 1 1 116 116 THR H H 1 7.449 0.020 . 1 . . . . . 120 THR H . 27079 1
414 . 1 1 116 116 THR CA C 13 67.002 0.400 . 1 . . . . . 120 THR CA . 27079 1
415 . 1 1 116 116 THR CB C 13 68.102 0.400 . 1 . . . . . 120 THR CB . 27079 1
416 . 1 1 116 116 THR N N 15 116.592 0.400 . 1 . . . . . 120 THR N . 27079 1
417 . 1 1 117 117 CYS H H 1 8.139 0.020 . 1 . . . . . 121 CYS H . 27079 1
418 . 1 1 117 117 CYS CA C 13 64.161 0.400 . 1 . . . . . 121 CYS CA . 27079 1
419 . 1 1 117 117 CYS CB C 13 26.899 0.400 . 1 . . . . . 121 CYS CB . 27079 1
420 . 1 1 117 117 CYS N N 15 120.026 0.400 . 1 . . . . . 121 CYS N . 27079 1
421 . 1 1 118 118 ARG H H 1 8.222 0.020 . 1 . . . . . 122 ARG H . 27079 1
422 . 1 1 118 118 ARG CA C 13 59.349 0.400 . 1 . . . . . 122 ARG CA . 27079 1
423 . 1 1 118 118 ARG CB C 13 29.116 0.400 . 1 . . . . . 122 ARG CB . 27079 1
424 . 1 1 118 118 ARG N N 15 118.682 0.400 . 1 . . . . . 122 ARG N . 27079 1
425 . 1 1 119 119 LYS H H 1 7.404 0.020 . 1 . . . . . 123 LYS H . 27079 1
426 . 1 1 119 119 LYS CA C 13 58.063 0.400 . 1 . . . . . 123 LYS CA . 27079 1
427 . 1 1 119 119 LYS CB C 13 31.237 0.400 . 1 . . . . . 123 LYS CB . 27079 1
428 . 1 1 119 119 LYS N N 15 117.766 0.400 . 1 . . . . . 123 LYS N . 27079 1
429 . 1 1 120 120 PHE H H 1 7.669 0.020 . 1 . . . . . 124 PHE H . 27079 1
430 . 1 1 120 120 PHE CA C 13 59.315 0.400 . 1 . . . . . 124 PHE CA . 27079 1
431 . 1 1 120 120 PHE CB C 13 39.131 0.400 . 1 . . . . . 124 PHE CB . 27079 1
432 . 1 1 120 120 PHE N N 15 119.408 0.400 . 1 . . . . . 124 PHE N . 27079 1
433 . 1 1 121 121 ILE H H 1 7.507 0.020 . 1 . . . . . 125 ILE H . 27079 1
434 . 1 1 121 121 ILE CA C 13 62.002 0.400 . 1 . . . . . 125 ILE CA . 27079 1
435 . 1 1 121 121 ILE CB C 13 37.655 0.400 . 1 . . . . . 125 ILE CB . 27079 1
436 . 1 1 121 121 ILE N N 15 119.355 0.400 . 1 . . . . . 125 ILE N . 27079 1
437 . 1 1 122 122 LYS H H 1 7.858 0.020 . 1 . . . . . 126 LYS H . 27079 1
438 . 1 1 122 122 LYS CA C 13 56.202 0.400 . 1 . . . . . 126 LYS CA . 27079 1
439 . 1 1 122 122 LYS CB C 13 31.684 0.400 . 1 . . . . . 126 LYS CB . 27079 1
440 . 1 1 122 122 LYS N N 15 123.536 0.400 . 1 . . . . . 126 LYS N . 27079 1
441 . 1 1 123 123 ALA H H 1 7.932 0.020 . 1 . . . . . 127 ALA H . 27079 1
442 . 1 1 123 123 ALA CA C 13 51.995 0.400 . 1 . . . . . 127 ALA CA . 27079 1
443 . 1 1 123 123 ALA CB C 13 18.496 0.400 . 1 . . . . . 127 ALA CB . 27079 1
444 . 1 1 123 123 ALA N N 15 125.383 0.400 . 1 . . . . . 127 ALA N . 27079 1
445 . 1 1 124 124 SER H H 1 7.656 0.020 . 1 . . . . . 128 SER H . 27079 1
446 . 1 1 124 124 SER CA C 13 59.602 0.400 . 1 . . . . . 128 SER CA . 27079 1
447 . 1 1 124 124 SER CB C 13 64.728 0.400 . 1 . . . . . 128 SER CB . 27079 1
448 . 1 1 124 124 SER N N 15 121.337 0.400 . 1 . . . . . 128 SER N . 27079 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_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 27079
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
4 '2D 1H-15N HSQC' . . . 27079 2
5 '3D HNCACB' . . . 27079 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.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 3 3 SER H H 1 8.331 0.020 . 1 . . . . . 7 SER H . 27079 2
2 . 1 1 3 3 SER N N 15 116.540 0.400 . 1 . . . . . 7 SER N . 27079 2
3 . 1 1 4 4 GLN H H 1 8.164 0.020 . 1 . . . . . 8 GLN H . 27079 2
4 . 1 1 4 4 GLN N N 15 122.433 0.400 . 1 . . . . . 8 GLN N . 27079 2
5 . 1 1 5 5 ILE H H 1 8.486 0.020 . 1 . . . . . 9 ILE H . 27079 2
6 . 1 1 5 5 ILE N N 15 126.058 0.400 . 1 . . . . . 9 ILE N . 27079 2
7 . 1 1 6 6 GLN H H 1 8.682 0.020 . 1 . . . . . 10 GLN H . 27079 2
8 . 1 1 6 6 GLN N N 15 127.468 0.400 . 1 . . . . . 10 GLN N . 27079 2
9 . 1 1 7 7 PHE H H 1 8.811 0.020 . 1 . . . . . 11 PHE H . 27079 2
10 . 1 1 7 7 PHE N N 15 127.669 0.400 . 1 . . . . . 11 PHE N . 27079 2
11 . 1 1 10 10 HIS H H 1 7.324 0.020 . 1 . . . . . 14 HIS H . 27079 2
12 . 1 1 10 10 HIS N N 15 119.895 0.400 . 1 . . . . . 14 HIS N . 27079 2
13 . 1 1 11 11 ALA H H 1 8.859 0.020 . 1 . . . . . 15 ALA H . 27079 2
14 . 1 1 11 11 ALA N N 15 119.915 0.400 . 1 . . . . . 15 ALA N . 27079 2
15 . 1 1 12 12 SER H H 1 7.972 0.020 . 1 . . . . . 16 SER H . 27079 2
16 . 1 1 12 12 SER N N 15 114.139 0.400 . 1 . . . . . 16 SER N . 27079 2
17 . 1 1 14 14 VAL H H 1 8.332 0.020 . 1 . . . . . 18 VAL H . 27079 2
18 . 1 1 14 14 VAL N N 15 122.170 0.400 . 1 . . . . . 18 VAL N . 27079 2
19 . 1 1 15 15 LEU H H 1 7.715 0.020 . 1 . . . . . 19 LEU H . 27079 2
20 . 1 1 15 15 LEU N N 15 121.058 0.400 . 1 . . . . . 19 LEU N . 27079 2
21 . 1 1 16 16 LEU H H 1 7.957 0.020 . 1 . . . . . 20 LEU H . 27079 2
22 . 1 1 16 16 LEU N N 15 119.408 0.400 . 1 . . . . . 20 LEU N . 27079 2
23 . 1 1 17 17 ASN H H 1 7.971 0.020 . 1 . . . . . 21 ASN H . 27079 2
24 . 1 1 17 17 ASN N N 15 119.458 0.400 . 1 . . . . . 21 ASN N . 27079 2
25 . 1 1 18 18 LEU H H 1 8.987 0.020 . 1 . . . . . 22 LEU H . 27079 2
26 . 1 1 18 18 LEU N N 15 124.325 0.400 . 1 . . . . . 22 LEU N . 27079 2
27 . 1 1 19 19 ASN H H 1 8.952 0.020 . 1 . . . . . 23 ASN H . 27079 2
28 . 1 1 19 19 ASN N N 15 119.192 0.400 . 1 . . . . . 23 ASN N . 27079 2
29 . 1 1 20 20 ARG H H 1 8.189 0.020 . 1 . . . . . 24 ARG H . 27079 2
30 . 1 1 20 20 ARG N N 15 121.892 0.400 . 1 . . . . . 24 ARG N . 27079 2
31 . 1 1 21 21 LEU H H 1 8.137 0.020 . 1 . . . . . 25 LEU H . 27079 2
32 . 1 1 21 21 LEU N N 15 118.593 0.400 . 1 . . . . . 25 LEU N . 27079 2
33 . 1 1 22 22 ARG H H 1 8.294 0.020 . 1 . . . . . 26 ARG H . 27079 2
34 . 1 1 22 22 ARG N N 15 119.962 0.400 . 1 . . . . . 26 ARG N . 27079 2
35 . 1 1 23 23 SER H H 1 8.583 0.020 . 1 . . . . . 27 SER H . 27079 2
36 . 1 1 23 23 SER N N 15 117.672 0.400 . 1 . . . . . 27 SER N . 27079 2
37 . 1 1 24 24 ARG H H 1 7.343 0.020 . 1 . . . . . 28 ARG H . 27079 2
38 . 1 1 24 24 ARG N N 15 119.111 0.400 . 1 . . . . . 28 ARG N . 27079 2
39 . 1 1 25 25 ASP H H 1 8.021 0.020 . 1 . . . . . 29 ASP H . 27079 2
40 . 1 1 25 25 ASP N N 15 122.056 0.400 . 1 . . . . . 29 ASP N . 27079 2
41 . 1 1 26 26 ILE H H 1 8.482 0.020 . 1 . . . . . 30 ILE H . 27079 2
42 . 1 1 26 26 ILE N N 15 119.580 0.400 . 1 . . . . . 30 ILE N . 27079 2
43 . 1 1 27 27 LEU H H 1 9.014 0.020 . 1 . . . . . 31 LEU H . 27079 2
44 . 1 1 27 27 LEU N N 15 124.328 0.400 . 1 . . . . . 31 LEU N . 27079 2
45 . 1 1 28 28 THR H H 1 6.980 0.020 . 1 . . . . . 32 THR H . 27079 2
46 . 1 1 28 28 THR N N 15 109.744 0.400 . 1 . . . . . 32 THR N . 27079 2
47 . 1 1 29 29 ASP H H 1 8.581 0.020 . 1 . . . . . 33 ASP H . 27079 2
48 . 1 1 29 29 ASP N N 15 124.125 0.400 . 1 . . . . . 33 ASP N . 27079 2
49 . 1 1 30 30 VAL H H 1 7.741 0.020 . 1 . . . . . 34 VAL H . 27079 2
50 . 1 1 30 30 VAL N N 15 118.146 0.400 . 1 . . . . . 34 VAL N . 27079 2
51 . 1 1 31 31 VAL H H 1 7.900 0.020 . 1 . . . . . 35 VAL H . 27079 2
52 . 1 1 31 31 VAL N N 15 127.102 0.400 . 1 . . . . . 35 VAL N . 27079 2
53 . 1 1 33 33 VAL H H 1 9.007 0.020 . 1 . . . . . 37 VAL H . 27079 2
54 . 1 1 33 33 VAL N N 15 129.458 0.400 . 1 . . . . . 37 VAL N . 27079 2
55 . 1 1 34 34 VAL H H 1 8.778 0.020 . 1 . . . . . 38 VAL H . 27079 2
56 . 1 1 34 34 VAL N N 15 129.268 0.400 . 1 . . . . . 38 VAL N . 27079 2
57 . 1 1 35 35 SER H H 1 8.924 0.020 . 1 . . . . . 39 SER H . 27079 2
58 . 1 1 35 35 SER N N 15 122.779 0.400 . 1 . . . . . 39 SER N . 27079 2
59 . 1 1 36 36 ARG H H 1 8.111 0.020 . 1 . . . . . 40 ARG H . 27079 2
60 . 1 1 36 36 ARG N N 15 117.194 0.400 . 1 . . . . . 40 ARG N . 27079 2
61 . 1 1 37 37 GLU H H 1 8.146 0.020 . 1 . . . . . 41 GLU H . 27079 2
62 . 1 1 37 37 GLU N N 15 122.696 0.400 . 1 . . . . . 41 GLU N . 27079 2
63 . 1 1 38 38 GLN H H 1 7.942 0.020 . 1 . . . . . 42 GLN H . 27079 2
64 . 1 1 38 38 GLN N N 15 118.516 0.400 . 1 . . . . . 42 GLN N . 27079 2
65 . 1 1 39 39 PHE H H 1 9.050 0.020 . 1 . . . . . 43 PHE H . 27079 2
66 . 1 1 39 39 PHE N N 15 121.609 0.400 . 1 . . . . . 43 PHE N . 27079 2
67 . 1 1 40 40 ARG H H 1 8.588 0.020 . 1 . . . . . 44 ARG H . 27079 2
68 . 1 1 40 40 ARG N N 15 122.941 0.400 . 1 . . . . . 44 ARG N . 27079 2
69 . 1 1 41 41 ALA H H 1 8.050 0.020 . 1 . . . . . 45 ALA H . 27079 2
70 . 1 1 41 41 ALA N N 15 120.230 0.400 . 1 . . . . . 45 ALA N . 27079 2
71 . 1 1 42 42 HIS H H 1 7.151 0.020 . 1 . . . . . 46 HIS H . 27079 2
72 . 1 1 42 42 HIS N N 15 116.525 0.400 . 1 . . . . . 46 HIS N . 27079 2
73 . 1 1 43 43 LYS H H 1 11.145 0.020 . 1 . . . . . 47 LYS H . 27079 2
74 . 1 1 43 43 LYS N N 15 129.933 0.400 . 1 . . . . . 47 LYS N . 27079 2
75 . 1 1 44 44 THR H H 1 8.593 0.020 . 1 . . . . . 48 THR H . 27079 2
76 . 1 1 44 44 THR N N 15 106.598 0.400 . 1 . . . . . 48 THR N . 27079 2
77 . 1 1 45 45 VAL H H 1 6.420 0.020 . 1 . . . . . 49 VAL H . 27079 2
78 . 1 1 45 45 VAL N N 15 119.723 0.400 . 1 . . . . . 49 VAL N . 27079 2
79 . 1 1 47 47 MET H H 1 8.494 0.020 . 1 . . . . . 51 MET H . 27079 2
80 . 1 1 47 47 MET N N 15 115.737 0.400 . 1 . . . . . 51 MET N . 27079 2
81 . 1 1 48 48 ALA H H 1 7.622 0.020 . 1 . . . . . 52 ALA H . 27079 2
82 . 1 1 48 48 ALA N N 15 118.911 0.400 . 1 . . . . . 52 ALA N . 27079 2
83 . 1 1 49 49 CYS H H 1 7.184 0.020 . 1 . . . . . 53 CYS H . 27079 2
84 . 1 1 49 49 CYS N N 15 111.111 0.400 . 1 . . . . . 53 CYS N . 27079 2
85 . 1 1 50 50 SER H H 1 7.774 0.020 . 1 . . . . . 54 SER H . 27079 2
86 . 1 1 50 50 SER N N 15 114.731 0.400 . 1 . . . . . 54 SER N . 27079 2
87 . 1 1 51 51 GLY H H 1 8.569 0.020 . 1 . . . . . 55 GLY H . 27079 2
88 . 1 1 51 51 GLY N N 15 118.242 0.400 . 1 . . . . . 55 GLY N . 27079 2
89 . 1 1 52 52 LEU H H 1 7.096 0.020 . 1 . . . . . 56 LEU H . 27079 2
90 . 1 1 52 52 LEU N N 15 122.270 0.400 . 1 . . . . . 56 LEU N . 27079 2
91 . 1 1 53 53 PHE H H 1 7.359 0.020 . 1 . . . . . 57 PHE H . 27079 2
92 . 1 1 53 53 PHE N N 15 116.062 0.400 . 1 . . . . . 57 PHE N . 27079 2
93 . 1 1 55 55 SER H H 1 7.901 0.020 . 1 . . . . . 59 SER H . 27079 2
94 . 1 1 55 55 SER N N 15 115.966 0.400 . 1 . . . . . 59 SER N . 27079 2
95 . 1 1 56 56 ILE H H 1 7.846 0.020 . 1 . . . . . 60 ILE H . 27079 2
96 . 1 1 56 56 ILE N N 15 122.059 0.400 . 1 . . . . . 60 ILE N . 27079 2
97 . 1 1 57 57 PHE H H 1 7.629 0.020 . 1 . . . . . 61 PHE H . 27079 2
98 . 1 1 57 57 PHE N N 15 111.458 0.400 . 1 . . . . . 61 PHE N . 27079 2
99 . 1 1 58 58 THR H H 1 7.207 0.020 . 1 . . . . . 62 THR H . 27079 2
100 . 1 1 58 58 THR N N 15 107.448 0.400 . 1 . . . . . 62 THR N . 27079 2
101 . 1 1 59 59 ASP H H 1 7.079 0.020 . 1 . . . . . 63 ASP H . 27079 2
102 . 1 1 59 59 ASP N N 15 125.413 0.400 . 1 . . . . . 63 ASP N . 27079 2
103 . 1 1 60 60 GLN H H 1 8.898 0.020 . 1 . . . . . 64 GLN H . 27079 2
104 . 1 1 60 60 GLN N N 15 126.870 0.400 . 1 . . . . . 64 GLN N . 27079 2
105 . 1 1 61 61 LEU H H 1 8.355 0.020 . 1 . . . . . 65 LEU H . 27079 2
106 . 1 1 61 61 LEU N N 15 118.051 0.400 . 1 . . . . . 65 LEU N . 27079 2
107 . 1 1 62 62 LYS H H 1 8.011 0.020 . 1 . . . . . 66 LYS H . 27079 2
108 . 1 1 62 62 LYS N N 15 119.354 0.400 . 1 . . . . . 66 LYS N . 27079 2
109 . 1 1 63 63 ARG H H 1 7.706 0.020 . 1 . . . . . 67 ARG H . 27079 2
110 . 1 1 63 63 ARG N N 15 118.202 0.400 . 1 . . . . . 67 ARG N . 27079 2
111 . 1 1 64 64 ASN H H 1 8.005 0.020 . 1 . . . . . 68 ASN H . 27079 2
112 . 1 1 64 64 ASN N N 15 114.289 0.400 . 1 . . . . . 68 ASN N . 27079 2
113 . 1 1 65 65 LEU H H 1 7.638 0.020 . 1 . . . . . 69 LEU H . 27079 2
114 . 1 1 65 65 LEU N N 15 122.389 0.400 . 1 . . . . . 69 LEU N . 27079 2
115 . 1 1 66 66 SER H H 1 8.720 0.020 . 1 . . . . . 70 SER H . 27079 2
116 . 1 1 66 66 SER N N 15 115.932 0.400 . 1 . . . . . 70 SER N . 27079 2
117 . 1 1 67 67 VAL H H 1 7.289 0.020 . 1 . . . . . 71 VAL H . 27079 2
118 . 1 1 67 67 VAL N N 15 123.644 0.400 . 1 . . . . . 71 VAL N . 27079 2
119 . 1 1 68 68 ILE H H 1 8.760 0.020 . 1 . . . . . 72 ILE H . 27079 2
120 . 1 1 68 68 ILE N N 15 126.075 0.400 . 1 . . . . . 72 ILE N . 27079 2
121 . 1 1 69 69 ASN H H 1 8.659 0.020 . 1 . . . . . 73 ASN H . 27079 2
122 . 1 1 69 69 ASN N N 15 125.934 0.400 . 1 . . . . . 73 ASN N . 27079 2
123 . 1 1 70 70 LEU H H 1 8.132 0.020 . 1 . . . . . 74 LEU H . 27079 2
124 . 1 1 70 70 LEU N N 15 121.597 0.400 . 1 . . . . . 74 LEU N . 27079 2
125 . 1 1 71 71 ASP H H 1 7.049 0.020 . 1 . . . . . 75 ASP H . 27079 2
126 . 1 1 71 71 ASP N N 15 121.260 0.400 . 1 . . . . . 75 ASP N . 27079 2
127 . 1 1 73 73 GLU H H 1 8.609 0.020 . 1 . . . . . 77 GLU H . 27079 2
128 . 1 1 73 73 GLU N N 15 117.621 0.400 . 1 . . . . . 77 GLU N . 27079 2
129 . 1 1 74 74 ILE H H 1 7.391 0.020 . 1 . . . . . 78 ILE H . 27079 2
130 . 1 1 74 74 ILE N N 15 121.242 0.400 . 1 . . . . . 78 ILE N . 27079 2
131 . 1 1 75 75 ASN H H 1 8.742 0.020 . 1 . . . . . 79 ASN H . 27079 2
132 . 1 1 75 75 ASN N N 15 128.080 0.400 . 1 . . . . . 79 ASN N . 27079 2
133 . 1 1 77 77 GLU H H 1 7.982 0.020 . 1 . . . . . 81 GLU H . 27079 2
134 . 1 1 77 77 GLU N N 15 119.495 0.400 . 1 . . . . . 81 GLU N . 27079 2
135 . 1 1 78 78 GLY H H 1 8.099 0.020 . 1 . . . . . 82 GLY H . 27079 2
136 . 1 1 78 78 GLY N N 15 105.769 0.400 . 1 . . . . . 82 GLY N . 27079 2
137 . 1 1 79 79 PHE H H 1 7.911 0.020 . 1 . . . . . 83 PHE H . 27079 2
138 . 1 1 79 79 PHE N N 15 119.542 0.400 . 1 . . . . . 83 PHE N . 27079 2
139 . 1 1 80 80 ASN H H 1 8.515 0.020 . 1 . . . . . 84 ASN H . 27079 2
140 . 1 1 80 80 ASN N N 15 118.658 0.400 . 1 . . . . . 84 ASN N . 27079 2
141 . 1 1 81 81 ILE H H 1 7.718 0.020 . 1 . . . . . 85 ILE H . 27079 2
142 . 1 1 81 81 ILE N N 15 118.239 0.400 . 1 . . . . . 85 ILE N . 27079 2
143 . 1 1 85 85 PHE H H 1 8.358 0.020 . 1 . . . . . 89 PHE H . 27079 2
144 . 1 1 85 85 PHE N N 15 120.440 0.400 . 1 . . . . . 89 PHE N . 27079 2
145 . 1 1 86 86 MET H H 1 9.359 0.020 . 1 . . . . . 90 MET H . 27079 2
146 . 1 1 86 86 MET N N 15 127.884 0.400 . 1 . . . . . 90 MET N . 27079 2
147 . 1 1 89 89 SER H H 1 8.600 0.020 . 1 . . . . . 93 SER H . 27079 2
148 . 1 1 89 89 SER N N 15 117.215 0.400 . 1 . . . . . 93 SER N . 27079 2
149 . 1 1 90 90 ARG H H 1 7.899 0.020 . 1 . . . . . 94 ARG H . 27079 2
150 . 1 1 90 90 ARG N N 15 121.126 0.400 . 1 . . . . . 94 ARG N . 27079 2
151 . 1 1 91 91 LEU H H 1 9.146 0.020 . 1 . . . . . 95 LEU H . 27079 2
152 . 1 1 91 91 LEU N N 15 127.643 0.400 . 1 . . . . . 95 LEU N . 27079 2
153 . 1 1 92 92 ASN H H 1 8.082 0.020 . 1 . . . . . 96 ASN H . 27079 2
154 . 1 1 92 92 ASN N N 15 127.909 0.400 . 1 . . . . . 96 ASN N . 27079 2
155 . 1 1 93 93 LEU H H 1 7.750 0.020 . 1 . . . . . 97 LEU H . 27079 2
156 . 1 1 93 93 LEU N N 15 122.981 0.400 . 1 . . . . . 97 LEU N . 27079 2
157 . 1 1 94 94 ARG H H 1 8.403 0.020 . 1 . . . . . 98 ARG H . 27079 2
158 . 1 1 94 94 ARG N N 15 120.260 0.400 . 1 . . . . . 98 ARG N . 27079 2
159 . 1 1 95 95 GLU H H 1 8.980 0.020 . 1 . . . . . 99 GLU H . 27079 2
160 . 1 1 95 95 GLU N N 15 123.080 0.400 . 1 . . . . . 99 GLU N . 27079 2
161 . 1 1 97 97 ASN H H 1 7.616 0.020 . 1 . . . . . 101 ASN H . 27079 2
162 . 1 1 97 97 ASN N N 15 116.189 0.400 . 1 . . . . . 101 ASN N . 27079 2
163 . 1 1 98 98 ILE H H 1 7.423 0.020 . 1 . . . . . 102 ILE H . 27079 2
164 . 1 1 98 98 ILE N N 15 120.795 0.400 . 1 . . . . . 102 ILE N . 27079 2
165 . 1 1 99 99 MET H H 1 7.980 0.020 . 1 . . . . . 103 MET H . 27079 2
166 . 1 1 99 99 MET N N 15 125.711 0.400 . 1 . . . . . 103 MET N . 27079 2
167 . 1 1 100 100 ALA H H 1 7.923 0.020 . 1 . . . . . 104 ALA H . 27079 2
168 . 1 1 100 100 ALA N N 15 124.176 0.400 . 1 . . . . . 104 ALA N . 27079 2
169 . 1 1 101 101 VAL H H 1 8.537 0.020 . 1 . . . . . 105 VAL H . 27079 2
170 . 1 1 101 101 VAL N N 15 123.337 0.400 . 1 . . . . . 105 VAL N . 27079 2
171 . 1 1 102 102 MET H H 1 8.767 0.020 . 1 . . . . . 106 MET H . 27079 2
172 . 1 1 102 102 MET N N 15 121.229 0.400 . 1 . . . . . 106 MET N . 27079 2
173 . 1 1 103 103 ALA H H 1 8.210 0.020 . 1 . . . . . 107 ALA H . 27079 2
174 . 1 1 103 103 ALA N N 15 119.991 0.400 . 1 . . . . . 107 ALA N . 27079 2
175 . 1 1 104 104 THR H H 1 7.873 0.020 . 1 . . . . . 108 THR H . 27079 2
176 . 1 1 104 104 THR N N 15 116.666 0.400 . 1 . . . . . 108 THR N . 27079 2
177 . 1 1 105 105 ALA H H 1 8.795 0.020 . 1 . . . . . 109 ALA H . 27079 2
178 . 1 1 105 105 ALA N N 15 125.853 0.400 . 1 . . . . . 109 ALA N . 27079 2
179 . 1 1 106 106 MET H H 1 8.120 0.020 . 1 . . . . . 110 MET H . 27079 2
180 . 1 1 106 106 MET N N 15 118.960 0.400 . 1 . . . . . 110 MET N . 27079 2
181 . 1 1 107 107 TYR H H 1 7.510 0.020 . 1 . . . . . 111 TYR H . 27079 2
182 . 1 1 107 107 TYR N N 15 123.408 0.400 . 1 . . . . . 111 TYR N . 27079 2
183 . 1 1 109 109 GLN H H 1 7.829 0.020 . 1 . . . . . 113 GLN H . 27079 2
184 . 1 1 109 109 GLN N N 15 119.869 0.400 . 1 . . . . . 113 GLN N . 27079 2
185 . 1 1 110 110 MET H H 1 7.882 0.020 . 1 . . . . . 114 MET H . 27079 2
186 . 1 1 110 110 MET N N 15 122.745 0.400 . 1 . . . . . 114 MET N . 27079 2
187 . 1 1 111 111 GLU H H 1 8.415 0.020 . 1 . . . . . 115 GLU H . 27079 2
188 . 1 1 111 111 GLU N N 15 123.436 0.400 . 1 . . . . . 115 GLU N . 27079 2
189 . 1 1 113 113 VAL H H 1 7.107 0.020 . 1 . . . . . 117 VAL H . 27079 2
190 . 1 1 113 113 VAL N N 15 122.450 0.400 . 1 . . . . . 117 VAL N . 27079 2
191 . 1 1 114 114 VAL H H 1 7.614 0.020 . 1 . . . . . 118 VAL H . 27079 2
192 . 1 1 114 114 VAL N N 15 122.383 0.400 . 1 . . . . . 118 VAL N . 27079 2
193 . 1 1 115 115 ASP H H 1 8.167 0.020 . 1 . . . . . 119 ASP H . 27079 2
194 . 1 1 115 115 ASP N N 15 118.141 0.400 . 1 . . . . . 119 ASP N . 27079 2
195 . 1 1 116 116 THR H H 1 7.471 0.020 . 1 . . . . . 120 THR H . 27079 2
196 . 1 1 116 116 THR N N 15 116.687 0.400 . 1 . . . . . 120 THR N . 27079 2
197 . 1 1 117 117 CYS H H 1 8.149 0.020 . 1 . . . . . 121 CYS H . 27079 2
198 . 1 1 117 117 CYS N N 15 120.103 0.400 . 1 . . . . . 121 CYS N . 27079 2
199 . 1 1 118 118 ARG H H 1 8.226 0.020 . 1 . . . . . 122 ARG H . 27079 2
200 . 1 1 118 118 ARG N N 15 118.774 0.400 . 1 . . . . . 122 ARG N . 27079 2
201 . 1 1 119 119 LYS H H 1 7.423 0.020 . 1 . . . . . 123 LYS H . 27079 2
202 . 1 1 119 119 LYS N N 15 117.918 0.400 . 1 . . . . . 123 LYS N . 27079 2
203 . 1 1 120 120 PHE H H 1 7.677 0.020 . 1 . . . . . 124 PHE H . 27079 2
204 . 1 1 120 120 PHE N N 15 119.588 0.400 . 1 . . . . . 124 PHE N . 27079 2
205 . 1 1 121 121 ILE H H 1 7.555 0.020 . 1 . . . . . 125 ILE H . 27079 2
206 . 1 1 121 121 ILE N N 15 119.331 0.400 . 1 . . . . . 125 ILE N . 27079 2
207 . 1 1 122 122 LYS H H 1 7.818 0.020 . 1 . . . . . 126 LYS H . 27079 2
208 . 1 1 122 122 LYS N N 15 123.181 0.400 . 1 . . . . . 126 LYS N . 27079 2
209 . 1 1 123 123 ALA H H 1 7.858 0.020 . 1 . . . . . 127 ALA H . 27079 2
210 . 1 1 123 123 ALA N N 15 125.013 0.400 . 1 . . . . . 127 ALA N . 27079 2
211 . 1 1 124 124 SER H H 1 7.617 0.020 . 1 . . . . . 128 SER H . 27079 2
212 . 1 1 124 124 SER N N 15 121.301 0.400 . 1 . . . . . 128 SER N . 27079 2
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