###################################
# 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 25818
_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' . . . 25818 1
2 '3D HNCA' . . . 25818 1
3 '3D HNCACB' . . . 25818 1
5 '3D HNCO' . . . 25818 1
6 '3D 1H-15N NOESY' . . . 25818 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 9 9 ALA H H 1 8.384 0.020 . 1 . . . A 1 ALA H . 25818 1
2 . 1 1 9 9 ALA C C 13 177.401 0.300 . 1 . . . A 1 ALA C . 25818 1
3 . 1 1 9 9 ALA CA C 13 52.545 0.300 . 1 . . . A 1 ALA CA . 25818 1
4 . 1 1 9 9 ALA CB C 13 19.447 0.300 . 1 . . . A 1 ALA CB . 25818 1
5 . 1 1 9 9 ALA N N 15 124.807 0.300 . 1 . . . A 1 ALA N . 25818 1
6 . 1 1 10 10 SER H H 1 8.287 0.020 . 1 . . . A 2 SER H . 25818 1
7 . 1 1 10 10 SER HA H 1 4.322 0.020 . 1 . . . A 2 SER HA . 25818 1
8 . 1 1 10 10 SER HB2 H 1 3.994 0.020 . 2 . . . A 2 SER HB2 . 25818 1
9 . 1 1 10 10 SER HB3 H 1 3.994 0.020 . 2 . . . A 2 SER HB3 . 25818 1
10 . 1 1 10 10 SER C C 13 175.102 0.300 . 1 . . . A 2 SER C . 25818 1
11 . 1 1 10 10 SER CA C 13 58.862 0.300 . 1 . . . A 2 SER CA . 25818 1
12 . 1 1 10 10 SER CB C 13 63.783 0.300 . 1 . . . A 2 SER CB . 25818 1
13 . 1 1 10 10 SER N N 15 115.072 0.300 . 1 . . . A 2 SER N . 25818 1
14 . 1 1 11 11 LYS H H 1 8.418 0.020 . 1 . . . A 3 LYS H . 25818 1
15 . 1 1 11 11 LYS HA H 1 4.223 0.020 . 1 . . . A 3 LYS HA . 25818 1
16 . 1 1 11 11 LYS HB2 H 1 1.801 0.020 . 2 . . . A 3 LYS HB2 . 25818 1
17 . 1 1 11 11 LYS HB3 H 1 1.801 0.020 . 2 . . . A 3 LYS HB3 . 25818 1
18 . 1 1 11 11 LYS C C 13 177.259 0.300 . 1 . . . A 3 LYS C . 25818 1
19 . 1 1 11 11 LYS CA C 13 57.484 0.300 . 1 . . . A 3 LYS CA . 25818 1
20 . 1 1 11 11 LYS CB C 13 32.230 0.300 . 1 . . . A 3 LYS CB . 25818 1
21 . 1 1 11 11 LYS N N 15 122.944 0.300 . 1 . . . A 3 LYS N . 25818 1
22 . 1 1 12 12 GLU H H 1 8.583 0.020 . 1 . . . A 4 GLU H . 25818 1
23 . 1 1 12 12 GLU HA H 1 4.086 0.020 . 1 . . . A 4 GLU HA . 25818 1
24 . 1 1 12 12 GLU HB2 H 1 1.989 0.020 . 2 . . . A 4 GLU HB2 . 25818 1
25 . 1 1 12 12 GLU HB3 H 1 1.989 0.020 . 2 . . . A 4 GLU HB3 . 25818 1
26 . 1 1 12 12 GLU C C 13 177.164 0.300 . 1 . . . A 4 GLU C . 25818 1
27 . 1 1 12 12 GLU CA C 13 58.874 0.300 . 1 . . . A 4 GLU CA . 25818 1
28 . 1 1 12 12 GLU CB C 13 29.407 0.300 . 1 . . . A 4 GLU CB . 25818 1
29 . 1 1 12 12 GLU N N 15 119.651 0.300 . 1 . . . A 4 GLU N . 25818 1
30 . 1 1 13 13 LEU H H 1 8.069 0.020 . 1 . . . A 5 LEU H . 25818 1
31 . 1 1 13 13 LEU HA H 1 4.169 0.020 . 1 . . . A 5 LEU HA . 25818 1
32 . 1 1 13 13 LEU HB2 H 1 1.626 0.020 . 2 . . . A 5 LEU HB2 . 25818 1
33 . 1 1 13 13 LEU HB3 H 1 1.695 0.020 . 2 . . . A 5 LEU HB3 . 25818 1
34 . 1 1 13 13 LEU HD11 H 1 0.881 0.020 . 2 . . . A 5 LEU HD11 . 25818 1
35 . 1 1 13 13 LEU HD12 H 1 0.881 0.020 . 2 . . . A 5 LEU HD12 . 25818 1
36 . 1 1 13 13 LEU HD13 H 1 0.881 0.020 . 2 . . . A 5 LEU HD13 . 25818 1
37 . 1 1 13 13 LEU HD21 H 1 0.881 0.020 . 2 . . . A 5 LEU HD21 . 25818 1
38 . 1 1 13 13 LEU HD22 H 1 0.881 0.020 . 2 . . . A 5 LEU HD22 . 25818 1
39 . 1 1 13 13 LEU HD23 H 1 0.881 0.020 . 2 . . . A 5 LEU HD23 . 25818 1
40 . 1 1 13 13 LEU C C 13 178.517 0.300 . 1 . . . A 5 LEU C . 25818 1
41 . 1 1 13 13 LEU CA C 13 56.636 0.300 . 1 . . . A 5 LEU CA . 25818 1
42 . 1 1 13 13 LEU CB C 13 41.930 0.300 . 1 . . . A 5 LEU CB . 25818 1
43 . 1 1 13 13 LEU N N 15 119.754 0.300 . 1 . . . A 5 LEU N . 25818 1
44 . 1 1 14 14 GLU H H 1 8.367 0.020 . 1 . . . A 6 GLU H . 25818 1
45 . 1 1 14 14 GLU HA H 1 4.088 0.020 . 1 . . . A 6 GLU HA . 25818 1
46 . 1 1 14 14 GLU C C 13 177.306 0.300 . 1 . . . A 6 GLU C . 25818 1
47 . 1 1 14 14 GLU CA C 13 59.008 0.300 . 1 . . . A 6 GLU CA . 25818 1
48 . 1 1 14 14 GLU N N 15 121.615 0.300 . 1 . . . A 6 GLU N . 25818 1
49 . 1 1 15 15 LEU H H 1 8.215 0.020 . 1 . . . A 7 LEU H . 25818 1
50 . 1 1 15 15 LEU HB2 H 1 1.648 0.020 . 2 . . . A 7 LEU HB2 . 25818 1
51 . 1 1 15 15 LEU HB3 H 1 1.825 0.020 . 2 . . . A 7 LEU HB3 . 25818 1
52 . 1 1 15 15 LEU HD11 H 1 0.905 0.020 . 2 . . . A 7 LEU HD11 . 25818 1
53 . 1 1 15 15 LEU HD12 H 1 0.905 0.020 . 2 . . . A 7 LEU HD12 . 25818 1
54 . 1 1 15 15 LEU HD13 H 1 0.905 0.020 . 2 . . . A 7 LEU HD13 . 25818 1
55 . 1 1 15 15 LEU HD21 H 1 0.905 0.020 . 2 . . . A 7 LEU HD21 . 25818 1
56 . 1 1 15 15 LEU HD22 H 1 0.905 0.020 . 2 . . . A 7 LEU HD22 . 25818 1
57 . 1 1 15 15 LEU HD23 H 1 0.905 0.020 . 2 . . . A 7 LEU HD23 . 25818 1
58 . 1 1 15 15 LEU CA C 13 57.826 0.300 . 1 . . . A 7 LEU CA . 25818 1
59 . 1 1 15 15 LEU N N 15 119.398 0.300 . 1 . . . A 7 LEU N . 25818 1
60 . 1 1 16 16 ILE H H 1 8.518 0.020 . 1 . . . A 8 ILE H . 25818 1
61 . 1 1 16 16 ILE CA C 13 65.302 0.300 . 1 . . . A 8 ILE CA . 25818 1
62 . 1 1 16 16 ILE N N 15 120.843 0.300 . 1 . . . A 8 ILE N . 25818 1
63 . 1 1 17 17 THR H H 1 7.782 0.020 . 1 . . . A 9 THR H . 25818 1
64 . 1 1 17 17 THR CA C 13 67.586 0.300 . 1 . . . A 9 THR CA . 25818 1
65 . 1 1 17 17 THR N N 15 115.829 0.300 . 1 . . . A 9 THR N . 25818 1
66 . 1 1 18 18 LEU H H 1 8.086 0.020 . 1 . . . A 10 LEU H . 25818 1
67 . 1 1 18 18 LEU HA H 1 3.954 0.020 . 1 . . . A 10 LEU HA . 25818 1
68 . 1 1 18 18 LEU HB2 H 1 1.608 0.020 . 2 . . . A 10 LEU HB2 . 25818 1
69 . 1 1 18 18 LEU HB3 H 1 1.825 0.020 . 2 . . . A 10 LEU HB3 . 25818 1
70 . 1 1 18 18 LEU C C 13 177.875 0.300 . 1 . . . A 10 LEU C . 25818 1
71 . 1 1 18 18 LEU CA C 13 58.484 0.300 . 1 . . . A 10 LEU CA . 25818 1
72 . 1 1 18 18 LEU CB C 13 41.962 0.300 . 1 . . . A 10 LEU CB . 25818 1
73 . 1 1 18 18 LEU N N 15 119.886 0.300 . 1 . . . A 10 LEU N . 25818 1
74 . 1 1 19 19 THR H H 1 8.033 0.020 . 1 . . . A 11 THR H . 25818 1
75 . 1 1 19 19 THR HA H 1 4.220 0.020 . 1 . . . A 11 THR HA . 25818 1
76 . 1 1 19 19 THR HB H 1 3.805 0.020 . 1 . . . A 11 THR HB . 25818 1
77 . 1 1 19 19 THR HG21 H 1 1.161 0.020 . 1 . . . A 11 THR HG21 . 25818 1
78 . 1 1 19 19 THR HG22 H 1 1.161 0.020 . 1 . . . A 11 THR HG22 . 25818 1
79 . 1 1 19 19 THR HG23 H 1 1.161 0.020 . 1 . . . A 11 THR HG23 . 25818 1
80 . 1 1 19 19 THR CA C 13 67.939 0.300 . 1 . . . A 11 THR CA . 25818 1
81 . 1 1 19 19 THR N N 15 114.351 0.300 . 1 . . . A 11 THR N . 25818 1
82 . 1 1 20 20 VAL H H 1 8.263 0.020 . 1 . . . A 12 VAL H . 25818 1
83 . 1 1 20 20 VAL HA H 1 3.568 0.020 . 1 . . . A 12 VAL HA . 25818 1
84 . 1 1 20 20 VAL C C 13 177.733 0.300 . 1 . . . A 12 VAL C . 25818 1
85 . 1 1 20 20 VAL CA C 13 67.141 0.300 . 1 . . . A 12 VAL CA . 25818 1
86 . 1 1 20 20 VAL N N 15 120.398 0.300 . 1 . . . A 12 VAL N . 25818 1
87 . 1 1 21 21 GLY H H 1 8.563 0.020 . 1 . . . A 13 GLY H . 25818 1
88 . 1 1 21 21 GLY HA2 H 1 3.575 0.020 . 2 . . . A 13 GLY HA2 . 25818 1
89 . 1 1 21 21 GLY HA3 H 1 3.575 0.020 . 2 . . . A 13 GLY HA3 . 25818 1
90 . 1 1 21 21 GLY C C 13 174.414 0.300 . 1 . . . A 13 GLY C . 25818 1
91 . 1 1 21 21 GLY CA C 13 47.836 0.300 . 1 . . . A 13 GLY CA . 25818 1
92 . 1 1 21 21 GLY N N 15 106.524 0.300 . 1 . . . A 13 GLY N . 25818 1
93 . 1 1 22 22 PHE H H 1 8.678 0.020 . 1 . . . A 14 PHE H . 25818 1
94 . 1 1 22 22 PHE HA H 1 4.210 0.020 . 1 . . . A 14 PHE HA . 25818 1
95 . 1 1 22 22 PHE HB2 H 1 3.198 0.020 . 2 . . . A 14 PHE HB2 . 25818 1
96 . 1 1 22 22 PHE HB3 H 1 3.113 0.020 . 2 . . . A 14 PHE HB3 . 25818 1
97 . 1 1 22 22 PHE C C 13 177.591 0.300 . 1 . . . A 14 PHE C . 25818 1
98 . 1 1 22 22 PHE CA C 13 61.702 0.300 . 1 . . . A 14 PHE CA . 25818 1
99 . 1 1 22 22 PHE CB C 13 38.916 0.300 . 1 . . . A 14 PHE CB . 25818 1
100 . 1 1 22 22 PHE N N 15 120.589 0.300 . 1 . . . A 14 PHE N . 25818 1
101 . 1 1 23 23 GLY H H 1 8.582 0.020 . 1 . . . A 15 GLY H . 25818 1
102 . 1 1 23 23 GLY HA2 H 1 3.540 0.020 . 2 . . . A 15 GLY HA2 . 25818 1
103 . 1 1 23 23 GLY HA3 H 1 3.540 0.020 . 2 . . . A 15 GLY HA3 . 25818 1
104 . 1 1 23 23 GLY C C 13 174.533 0.300 . 1 . . . A 15 GLY C . 25818 1
105 . 1 1 23 23 GLY CA C 13 47.707 0.300 . 1 . . . A 15 GLY CA . 25818 1
106 . 1 1 23 23 GLY N N 15 106.691 0.300 . 1 . . . A 15 GLY N . 25818 1
107 . 1 1 24 24 ILE H H 1 8.599 0.020 . 1 . . . A 16 ILE H . 25818 1
108 . 1 1 24 24 ILE HA H 1 3.640 0.020 . 1 . . . A 16 ILE HA . 25818 1
109 . 1 1 24 24 ILE HB H 1 2.002 0.020 . 1 . . . A 16 ILE HB . 25818 1
110 . 1 1 24 24 ILE HG12 H 1 1.267 0.020 . 2 . . . A 16 ILE HG12 . 25818 1
111 . 1 1 24 24 ILE HG13 H 1 1.267 0.020 . 2 . . . A 16 ILE HG13 . 25818 1
112 . 1 1 24 24 ILE HG21 H 1 0.839 0.020 . 2 . . . A 16 ILE HG21 . 25818 1
113 . 1 1 24 24 ILE HG22 H 1 0.839 0.020 . 2 . . . A 16 ILE HG22 . 25818 1
114 . 1 1 24 24 ILE HG23 H 1 0.839 0.020 . 2 . . . A 16 ILE HG23 . 25818 1
115 . 1 1 24 24 ILE HD11 H 1 0.742 0.020 . 2 . . . A 16 ILE HD11 . 25818 1
116 . 1 1 24 24 ILE HD12 H 1 0.742 0.020 . 2 . . . A 16 ILE HD12 . 25818 1
117 . 1 1 24 24 ILE HD13 H 1 0.742 0.020 . 2 . . . A 16 ILE HD13 . 25818 1
118 . 1 1 24 24 ILE C C 13 178.658 0.300 . 1 . . . A 16 ILE C . 25818 1
119 . 1 1 24 24 ILE CA C 13 65.430 0.300 . 1 . . . A 16 ILE CA . 25818 1
120 . 1 1 24 24 ILE CB C 13 37.188 0.300 . 1 . . . A 16 ILE CB . 25818 1
121 . 1 1 24 24 ILE N N 15 120.894 0.300 . 1 . . . A 16 ILE N . 25818 1
122 . 1 1 25 25 LEU H H 1 8.206 0.020 . 1 . . . A 17 LEU H . 25818 1
123 . 1 1 25 25 LEU HA H 1 3.960 0.020 . 1 . . . A 17 LEU HA . 25818 1
124 . 1 1 25 25 LEU HB2 H 1 1.635 0.020 . 2 . . . A 17 LEU HB2 . 25818 1
125 . 1 1 25 25 LEU HB3 H 1 1.858 0.020 . 2 . . . A 17 LEU HB3 . 25818 1
126 . 1 1 25 25 LEU HD11 H 1 0.800 0.020 . 2 . . . A 17 LEU HD11 . 25818 1
127 . 1 1 25 25 LEU HD12 H 1 0.800 0.020 . 2 . . . A 17 LEU HD12 . 25818 1
128 . 1 1 25 25 LEU HD13 H 1 0.800 0.020 . 2 . . . A 17 LEU HD13 . 25818 1
129 . 1 1 25 25 LEU HD21 H 1 0.800 0.020 . 2 . . . A 17 LEU HD21 . 25818 1
130 . 1 1 25 25 LEU HD22 H 1 0.800 0.020 . 2 . . . A 17 LEU HD22 . 25818 1
131 . 1 1 25 25 LEU HD23 H 1 0.800 0.020 . 2 . . . A 17 LEU HD23 . 25818 1
132 . 1 1 25 25 LEU C C 13 178.207 0.300 . 1 . . . A 17 LEU C . 25818 1
133 . 1 1 25 25 LEU CA C 13 58.861 0.300 . 1 . . . A 17 LEU CA . 25818 1
134 . 1 1 25 25 LEU CB C 13 41.613 0.300 . 1 . . . A 17 LEU CB . 25818 1
135 . 1 1 25 25 LEU N N 15 123.149 0.300 . 1 . . . A 17 LEU N . 25818 1
136 . 1 1 26 26 ILE H H 1 8.455 0.020 . 1 . . . A 18 ILE H . 25818 1
137 . 1 1 26 26 ILE HA H 1 3.562 0.020 . 1 . . . A 18 ILE HA . 25818 1
138 . 1 1 26 26 ILE HB H 1 1.830 0.020 . 1 . . . A 18 ILE HB . 25818 1
139 . 1 1 26 26 ILE HG12 H 1 0.986 0.020 . 2 . . . A 18 ILE HG12 . 25818 1
140 . 1 1 26 26 ILE HG13 H 1 1.279 0.020 . 2 . . . A 18 ILE HG13 . 25818 1
141 . 1 1 26 26 ILE HG21 H 1 0.787 0.020 . 2 . . . A 18 ILE HG21 . 25818 1
142 . 1 1 26 26 ILE HG22 H 1 0.787 0.020 . 2 . . . A 18 ILE HG22 . 25818 1
143 . 1 1 26 26 ILE HG23 H 1 0.787 0.020 . 2 . . . A 18 ILE HG23 . 25818 1
144 . 1 1 26 26 ILE HD11 H 1 0.734 0.020 . 2 . . . A 18 ILE HD11 . 25818 1
145 . 1 1 26 26 ILE HD12 H 1 0.734 0.020 . 2 . . . A 18 ILE HD12 . 25818 1
146 . 1 1 26 26 ILE HD13 H 1 0.734 0.020 . 2 . . . A 18 ILE HD13 . 25818 1
147 . 1 1 26 26 ILE C C 13 177.738 0.300 . 1 . . . A 18 ILE C . 25818 1
148 . 1 1 26 26 ILE CA C 13 64.569 0.300 . 1 . . . A 18 ILE CA . 25818 1
149 . 1 1 26 26 ILE CB C 13 36.512 0.300 . 1 . . . A 18 ILE CB . 25818 1
150 . 1 1 26 26 ILE N N 15 117.975 0.300 . 1 . . . A 18 ILE N . 25818 1
151 . 1 1 27 27 PHE H H 1 8.609 0.020 . 1 . . . A 19 PHE H . 25818 1
152 . 1 1 27 27 PHE HA H 1 4.069 0.020 . 1 . . . A 19 PHE HA . 25818 1
153 . 1 1 27 27 PHE HB2 H 1 3.107 0.020 . 2 . . . A 19 PHE HB2 . 25818 1
154 . 1 1 27 27 PHE HB3 H 1 3.107 0.020 . 2 . . . A 19 PHE HB3 . 25818 1
155 . 1 1 27 27 PHE C C 13 177.069 0.300 . 1 . . . A 19 PHE C . 25818 1
156 . 1 1 27 27 PHE CA C 13 61.951 0.300 . 1 . . . A 19 PHE CA . 25818 1
157 . 1 1 27 27 PHE CB C 13 39.118 0.300 . 1 . . . A 19 PHE CB . 25818 1
158 . 1 1 27 27 PHE N N 15 119.303 0.300 . 1 . . . A 19 PHE N . 25818 1
159 . 1 1 28 28 SER H H 1 8.571 0.020 . 1 . . . A 20 SER H . 25818 1
160 . 1 1 28 28 SER HA H 1 4.010 0.020 . 1 . . . A 20 SER HA . 25818 1
161 . 1 1 28 28 SER HB2 H 1 3.663 0.020 . 2 . . . A 20 SER HB2 . 25818 1
162 . 1 1 28 28 SER HB3 H 1 3.663 0.020 . 2 . . . A 20 SER HB3 . 25818 1
163 . 1 1 28 28 SER C C 13 176.951 0.300 . 1 . . . A 20 SER C . 25818 1
164 . 1 1 28 28 SER CA C 13 63.441 0.300 . 1 . . . A 20 SER CA . 25818 1
165 . 1 1 28 28 SER N N 15 114.834 0.300 . 1 . . . A 20 SER N . 25818 1
166 . 1 1 29 29 LEU H H 1 8.193 0.020 . 1 . . . A 21 LEU H . 25818 1
167 . 1 1 29 29 LEU HA H 1 4.052 0.020 . 1 . . . A 21 LEU HA . 25818 1
168 . 1 1 29 29 LEU HB2 H 1 1.991 0.020 . 2 . . . A 21 LEU HB2 . 25818 1
169 . 1 1 29 29 LEU HB3 H 1 1.883 0.020 . 2 . . . A 21 LEU HB3 . 25818 1
170 . 1 1 29 29 LEU HG H 1 1.445 0.020 . 1 . . . A 21 LEU HG . 25818 1
171 . 1 1 29 29 LEU HD11 H 1 0.787 0.020 . 2 . . . A 21 LEU HD11 . 25818 1
172 . 1 1 29 29 LEU HD12 H 1 0.787 0.020 . 2 . . . A 21 LEU HD12 . 25818 1
173 . 1 1 29 29 LEU HD13 H 1 0.787 0.020 . 2 . . . A 21 LEU HD13 . 25818 1
174 . 1 1 29 29 LEU HD21 H 1 0.787 0.020 . 2 . . . A 21 LEU HD21 . 25818 1
175 . 1 1 29 29 LEU HD22 H 1 0.787 0.020 . 2 . . . A 21 LEU HD22 . 25818 1
176 . 1 1 29 29 LEU HD23 H 1 0.787 0.020 . 2 . . . A 21 LEU HD23 . 25818 1
177 . 1 1 29 29 LEU C C 13 178.041 0.300 . 1 . . . A 21 LEU C . 25818 1
178 . 1 1 29 29 LEU CA C 13 58.331 0.300 . 1 . . . A 21 LEU CA . 25818 1
179 . 1 1 29 29 LEU CB C 13 41.771 0.300 . 1 . . . A 21 LEU CB . 25818 1
180 . 1 1 29 29 LEU N N 15 124.956 0.300 . 1 . . . A 21 LEU N . 25818 1
181 . 1 1 30 30 ILE H H 1 8.131 0.020 . 1 . . . A 22 ILE H . 25818 1
182 . 1 1 30 30 ILE HA H 1 3.602 0.020 . 1 . . . A 22 ILE HA . 25818 1
183 . 1 1 30 30 ILE HB H 1 1.930 0.020 . 1 . . . A 22 ILE HB . 25818 1
184 . 1 1 30 30 ILE HG21 H 1 0.740 0.020 . 2 . . . A 22 ILE HG21 . 25818 1
185 . 1 1 30 30 ILE HG22 H 1 0.740 0.020 . 2 . . . A 22 ILE HG22 . 25818 1
186 . 1 1 30 30 ILE HG23 H 1 0.740 0.020 . 2 . . . A 22 ILE HG23 . 25818 1
187 . 1 1 30 30 ILE HD11 H 1 0.585 0.020 . 2 . . . A 22 ILE HD11 . 25818 1
188 . 1 1 30 30 ILE HD12 H 1 0.585 0.020 . 2 . . . A 22 ILE HD12 . 25818 1
189 . 1 1 30 30 ILE HD13 H 1 0.585 0.020 . 2 . . . A 22 ILE HD13 . 25818 1
190 . 1 1 30 30 ILE C C 13 178.539 0.300 . 1 . . . A 22 ILE C . 25818 1
191 . 1 1 30 30 ILE CA C 13 65.963 0.300 . 1 . . . A 22 ILE CA . 25818 1
192 . 1 1 30 30 ILE CB C 13 37.864 0.300 . 1 . . . A 22 ILE CB . 25818 1
193 . 1 1 30 30 ILE N N 15 119.365 0.300 . 1 . . . A 22 ILE N . 25818 1
194 . 1 1 31 31 VAL H H 1 8.440 0.020 . 1 . . . A 23 VAL H . 25818 1
195 . 1 1 31 31 VAL HA H 1 3.342 0.020 . 1 . . . A 23 VAL HA . 25818 1
196 . 1 1 31 31 VAL HB H 1 1.927 0.020 . 1 . . . A 23 VAL HB . 25818 1
197 . 1 1 31 31 VAL HG11 H 1 0.593 0.020 . 2 . . . A 23 VAL HG11 . 25818 1
198 . 1 1 31 31 VAL HG12 H 1 0.593 0.020 . 2 . . . A 23 VAL HG12 . 25818 1
199 . 1 1 31 31 VAL HG13 H 1 0.593 0.020 . 2 . . . A 23 VAL HG13 . 25818 1
200 . 1 1 31 31 VAL HG21 H 1 0.789 0.020 . 2 . . . A 23 VAL HG21 . 25818 1
201 . 1 1 31 31 VAL HG22 H 1 0.789 0.020 . 2 . . . A 23 VAL HG22 . 25818 1
202 . 1 1 31 31 VAL HG23 H 1 0.789 0.020 . 2 . . . A 23 VAL HG23 . 25818 1
203 . 1 1 31 31 VAL C C 13 177.330 0.300 . 1 . . . A 23 VAL C . 25818 1
204 . 1 1 31 31 VAL CA C 13 67.683 0.300 . 1 . . . A 23 VAL CA . 25818 1
205 . 1 1 31 31 VAL CB C 13 31.371 0.300 . 1 . . . A 23 VAL CB . 25818 1
206 . 1 1 31 31 VAL N N 15 119.397 0.300 . 1 . . . A 23 VAL N . 25818 1
207 . 1 1 32 32 THR H H 1 7.969 0.020 . 1 . . . A 24 THR H . 25818 1
208 . 1 1 32 32 THR HA H 1 4.172 0.020 . 1 . . . A 24 THR HA . 25818 1
209 . 1 1 32 32 THR HB H 1 3.657 0.020 . 1 . . . A 24 THR HB . 25818 1
210 . 1 1 32 32 THR HG21 H 1 1.097 0.020 . 1 . . . A 24 THR HG21 . 25818 1
211 . 1 1 32 32 THR HG22 H 1 1.097 0.020 . 1 . . . A 24 THR HG22 . 25818 1
212 . 1 1 32 32 THR HG23 H 1 1.097 0.020 . 1 . . . A 24 THR HG23 . 25818 1
213 . 1 1 32 32 THR C C 13 176.382 0.300 . 1 . . . A 24 THR C . 25818 1
214 . 1 1 32 32 THR CA C 13 68.010 0.300 . 1 . . . A 24 THR CA . 25818 1
215 . 1 1 32 32 THR N N 15 114.854 0.300 . 1 . . . A 24 THR N . 25818 1
216 . 1 1 33 33 TYR H H 1 8.364 0.020 . 1 . . . A 25 TYR H . 25818 1
217 . 1 1 33 33 TYR HA H 1 4.010 0.020 . 1 . . . A 25 TYR HA . 25818 1
218 . 1 1 33 33 TYR HB2 H 1 3.248 0.020 . 2 . . . A 25 TYR HB2 . 25818 1
219 . 1 1 33 33 TYR HB3 H 1 3.027 0.020 . 2 . . . A 25 TYR HB3 . 25818 1
220 . 1 1 33 33 TYR C C 13 177.425 0.300 . 1 . . . A 25 TYR C . 25818 1
221 . 1 1 33 33 TYR CA C 13 62.436 0.300 . 1 . . . A 25 TYR CA . 25818 1
222 . 1 1 33 33 TYR CB C 13 38.766 0.300 . 1 . . . A 25 TYR CB . 25818 1
223 . 1 1 33 33 TYR N N 15 121.421 0.300 . 1 . . . A 25 TYR N . 25818 1
224 . 1 1 34 34 CYS H H 1 8.323 0.020 . 1 . . . A 26 CYS H . 25818 1
225 . 1 1 34 34 CYS HA H 1 3.939 0.020 . 1 . . . A 26 CYS HA . 25818 1
226 . 1 1 34 34 CYS HB2 H 1 3.087 0.020 . 2 . . . A 26 CYS HB2 . 25818 1
227 . 1 1 34 34 CYS HB3 H 1 2.666 0.020 . 2 . . . A 26 CYS HB3 . 25818 1
228 . 1 1 34 34 CYS C C 13 176.335 0.300 . 1 . . . A 26 CYS C . 25818 1
229 . 1 1 34 34 CYS CA C 13 64.243 0.300 . 1 . . . A 26 CYS CA . 25818 1
230 . 1 1 34 34 CYS CB C 13 27.470 0.300 . 1 . . . A 26 CYS CB . 25818 1
231 . 1 1 34 34 CYS N N 15 116.170 0.300 . 1 . . . A 26 CYS N . 25818 1
232 . 1 1 35 35 ILE H H 1 8.259 0.020 . 1 . . . A 27 ILE H . 25818 1
233 . 1 1 35 35 ILE HA H 1 3.796 0.020 . 1 . . . A 27 ILE HA . 25818 1
234 . 1 1 35 35 ILE HB H 1 1.921 0.020 . 1 . . . A 27 ILE HB . 25818 1
235 . 1 1 35 35 ILE HG12 H 1 1.148 0.020 . 2 . . . A 27 ILE HG12 . 25818 1
236 . 1 1 35 35 ILE HG13 H 1 1.640 0.020 . 2 . . . A 27 ILE HG13 . 25818 1
237 . 1 1 35 35 ILE HG21 H 1 0.877 0.020 . 2 . . . A 27 ILE HG21 . 25818 1
238 . 1 1 35 35 ILE HG22 H 1 0.877 0.020 . 2 . . . A 27 ILE HG22 . 25818 1
239 . 1 1 35 35 ILE HG23 H 1 0.877 0.020 . 2 . . . A 27 ILE HG23 . 25818 1
240 . 1 1 35 35 ILE HD11 H 1 0.763 0.020 . 2 . . . A 27 ILE HD11 . 25818 1
241 . 1 1 35 35 ILE HD12 H 1 0.763 0.020 . 2 . . . A 27 ILE HD12 . 25818 1
242 . 1 1 35 35 ILE HD13 H 1 0.763 0.020 . 2 . . . A 27 ILE HD13 . 25818 1
243 . 1 1 35 35 ILE C C 13 176.737 0.300 . 1 . . . A 27 ILE C . 25818 1
244 . 1 1 35 35 ILE CA C 13 64.107 0.300 . 1 . . . A 27 ILE CA . 25818 1
245 . 1 1 35 35 ILE CB C 13 37.875 0.300 . 1 . . . A 27 ILE CB . 25818 1
246 . 1 1 35 35 ILE N N 15 116.693 0.300 . 1 . . . A 27 ILE N . 25818 1
247 . 1 1 36 36 ASN H H 1 7.853 0.020 . 1 . . . A 28 ASN H . 25818 1
248 . 1 1 36 36 ASN HA H 1 4.429 0.020 . 1 . . . A 28 ASN HA . 25818 1
249 . 1 1 36 36 ASN HB2 H 1 2.670 0.020 . 2 . . . A 28 ASN HB2 . 25818 1
250 . 1 1 36 36 ASN HB3 H 1 2.572 0.020 . 2 . . . A 28 ASN HB3 . 25818 1
251 . 1 1 36 36 ASN HD21 H 1 6.735 0.020 . 2 . . . A 28 ASN HD21 . 25818 1
252 . 1 1 36 36 ASN HD22 H 1 7.571 0.020 . 2 . . . A 28 ASN HD22 . 25818 1
253 . 1 1 36 36 ASN C C 13 175.766 0.300 . 1 . . . A 28 ASN C . 25818 1
254 . 1 1 36 36 ASN CA C 13 55.852 0.300 . 1 . . . A 28 ASN CA . 25818 1
255 . 1 1 36 36 ASN CB C 13 39.764 0.300 . 1 . . . A 28 ASN CB . 25818 1
256 . 1 1 36 36 ASN N N 15 117.531 0.300 . 1 . . . A 28 ASN N . 25818 1
257 . 1 1 36 36 ASN ND2 N 15 111.960 0.300 . 1 . . . A 28 ASN ND2 . 25818 1
258 . 1 1 37 37 ALA H H 1 8.050 0.020 . 1 . . . A 29 ALA H . 25818 1
259 . 1 1 37 37 ALA HA H 1 4.118 0.020 . 1 . . . A 29 ALA HA . 25818 1
260 . 1 1 37 37 ALA HB1 H 1 1.163 0.020 . 1 . . . A 29 ALA HB1 . 25818 1
261 . 1 1 37 37 ALA HB2 H 1 1.163 0.020 . 1 . . . A 29 ALA HB2 . 25818 1
262 . 1 1 37 37 ALA HB3 H 1 1.163 0.020 . 1 . . . A 29 ALA HB3 . 25818 1
263 . 1 1 37 37 ALA C C 13 177.638 0.300 . 1 . . . A 29 ALA C . 25818 1
264 . 1 1 37 37 ALA CA C 13 53.303 0.300 . 1 . . . A 29 ALA CA . 25818 1
265 . 1 1 37 37 ALA CB C 13 18.985 0.300 . 1 . . . A 29 ALA CB . 25818 1
266 . 1 1 37 37 ALA N N 15 120.505 0.300 . 1 . . . A 29 ALA N . 25818 1
267 . 1 1 38 38 LYS H H 1 7.771 0.020 . 1 . . . A 30 LYS H . 25818 1
268 . 1 1 38 38 LYS HA H 1 4.327 0.020 . 1 . . . A 30 LYS HA . 25818 1
269 . 1 1 38 38 LYS HB2 H 1 1.931 0.020 . 2 . . . A 30 LYS HB2 . 25818 1
270 . 1 1 38 38 LYS HB3 H 1 1.774 0.020 . 2 . . . A 30 LYS HB3 . 25818 1
271 . 1 1 38 38 LYS C C 13 176.192 0.300 . 1 . . . A 30 LYS C . 25818 1
272 . 1 1 38 38 LYS CA C 13 55.493 0.300 . 1 . . . A 30 LYS CA . 25818 1
273 . 1 1 38 38 LYS CB C 13 31.831 0.300 . 1 . . . A 30 LYS CB . 25818 1
274 . 1 1 38 38 LYS N N 15 116.476 0.300 . 1 . . . A 30 LYS N . 25818 1
275 . 1 1 39 39 ALA H H 1 7.924 0.020 . 1 . . . A 31 ALA H . 25818 1
276 . 1 1 39 39 ALA HA H 1 4.129 0.020 . 1 . . . A 31 ALA HA . 25818 1
277 . 1 1 39 39 ALA HB1 H 1 1.426 0.020 . 1 . . . A 31 ALA HB1 . 25818 1
278 . 1 1 39 39 ALA HB2 H 1 1.426 0.020 . 1 . . . A 31 ALA HB2 . 25818 1
279 . 1 1 39 39 ALA HB3 H 1 1.426 0.020 . 1 . . . A 31 ALA HB3 . 25818 1
280 . 1 1 39 39 ALA C C 13 177.401 0.300 . 1 . . . A 31 ALA C . 25818 1
281 . 1 1 39 39 ALA CA C 13 53.738 0.300 . 1 . . . A 31 ALA CA . 25818 1
282 . 1 1 39 39 ALA CB C 13 19.262 0.300 . 1 . . . A 31 ALA CB . 25818 1
283 . 1 1 39 39 ALA N N 15 122.457 0.300 . 1 . . . A 31 ALA N . 25818 1
284 . 1 1 40 40 ASP H H 1 8.401 0.020 . 1 . . . A 32 ASP H . 25818 1
285 . 1 1 40 40 ASP HA H 1 4.425 0.020 . 1 . . . A 32 ASP HA . 25818 1
286 . 1 1 40 40 ASP HB2 H 1 2.665 0.020 . 2 . . . A 32 ASP HB2 . 25818 1
287 . 1 1 40 40 ASP HB3 H 1 2.596 0.020 . 2 . . . A 32 ASP HB3 . 25818 1
288 . 1 1 40 40 ASP C C 13 176.690 0.300 . 1 . . . A 32 ASP C . 25818 1
289 . 1 1 40 40 ASP CA C 13 55.303 0.300 . 1 . . . A 32 ASP CA . 25818 1
290 . 1 1 40 40 ASP CB C 13 40.220 0.300 . 1 . . . A 32 ASP CB . 25818 1
291 . 1 1 40 40 ASP N N 15 116.883 0.300 . 1 . . . A 32 ASP N . 25818 1
292 . 1 1 41 41 VAL H H 1 7.665 0.020 . 1 . . . A 33 VAL H . 25818 1
293 . 1 1 41 41 VAL HA H 1 4.082 0.020 . 1 . . . A 33 VAL HA . 25818 1
294 . 1 1 41 41 VAL HB H 1 2.142 0.020 . 1 . . . A 33 VAL HB . 25818 1
295 . 1 1 41 41 VAL HG11 H 1 0.906 0.020 . 2 . . . A 33 VAL HG11 . 25818 1
296 . 1 1 41 41 VAL HG12 H 1 0.906 0.020 . 2 . . . A 33 VAL HG12 . 25818 1
297 . 1 1 41 41 VAL HG13 H 1 0.906 0.020 . 2 . . . A 33 VAL HG13 . 25818 1
298 . 1 1 41 41 VAL HG21 H 1 0.906 0.020 . 2 . . . A 33 VAL HG21 . 25818 1
299 . 1 1 41 41 VAL HG22 H 1 0.906 0.020 . 2 . . . A 33 VAL HG22 . 25818 1
300 . 1 1 41 41 VAL HG23 H 1 0.906 0.020 . 2 . . . A 33 VAL HG23 . 25818 1
301 . 1 1 41 41 VAL C C 13 175.552 0.300 . 1 . . . A 33 VAL C . 25818 1
302 . 1 1 41 41 VAL CA C 13 62.761 0.300 . 1 . . . A 33 VAL CA . 25818 1
303 . 1 1 41 41 VAL CB C 13 32.406 0.300 . 1 . . . A 33 VAL CB . 25818 1
304 . 1 1 41 41 VAL N N 15 116.175 0.300 . 1 . . . A 33 VAL N . 25818 1
305 . 1 1 42 42 LEU H H 1 7.795 0.020 . 1 . . . A 34 LEU H . 25818 1
306 . 1 1 42 42 LEU HA H 1 4.140 0.020 . 1 . . . A 34 LEU HA . 25818 1
307 . 1 1 42 42 LEU HB2 H 1 1.222 0.020 . 2 . . . A 34 LEU HB2 . 25818 1
308 . 1 1 42 42 LEU HB3 H 1 1.463 0.020 . 2 . . . A 34 LEU HB3 . 25818 1
309 . 1 1 42 42 LEU HD11 H 1 0.778 0.020 . 2 . . . A 34 LEU HD11 . 25818 1
310 . 1 1 42 42 LEU HD12 H 1 0.778 0.020 . 2 . . . A 34 LEU HD12 . 25818 1
311 . 1 1 42 42 LEU HD13 H 1 0.778 0.020 . 2 . . . A 34 LEU HD13 . 25818 1
312 . 1 1 42 42 LEU HD21 H 1 0.893 0.020 . 2 . . . A 34 LEU HD21 . 25818 1
313 . 1 1 42 42 LEU HD22 H 1 0.893 0.020 . 2 . . . A 34 LEU HD22 . 25818 1
314 . 1 1 42 42 LEU HD23 H 1 0.893 0.020 . 2 . . . A 34 LEU HD23 . 25818 1
315 . 1 1 42 42 LEU C C 13 176.382 0.300 . 1 . . . A 34 LEU C . 25818 1
316 . 1 1 42 42 LEU CA C 13 55.664 0.300 . 1 . . . A 34 LEU CA . 25818 1
317 . 1 1 42 42 LEU CB C 13 42.486 0.300 . 1 . . . A 34 LEU CB . 25818 1
318 . 1 1 42 42 LEU N N 15 120.012 0.300 . 1 . . . A 34 LEU N . 25818 1
319 . 1 1 43 43 PHE H H 1 7.793 0.020 . 1 . . . A 35 PHE H . 25818 1
320 . 1 1 43 43 PHE HA H 1 4.595 0.020 . 1 . . . A 35 PHE HA . 25818 1
321 . 1 1 43 43 PHE HB2 H 1 3.158 0.020 . 2 . . . A 35 PHE HB2 . 25818 1
322 . 1 1 43 43 PHE HB3 H 1 3.030 0.020 . 2 . . . A 35 PHE HB3 . 25818 1
323 . 1 1 43 43 PHE HD1 H 1 7.253 0.020 . 3 . . . A 35 PHE HD1 . 25818 1
324 . 1 1 43 43 PHE HD2 H 1 7.253 0.020 . 3 . . . A 35 PHE HD2 . 25818 1
325 . 1 1 43 43 PHE C C 13 174.960 0.300 . 1 . . . A 35 PHE C . 25818 1
326 . 1 1 43 43 PHE CA C 13 57.734 0.300 . 1 . . . A 35 PHE CA . 25818 1
327 . 1 1 43 43 PHE CB C 13 39.289 0.300 . 1 . . . A 35 PHE CB . 25818 1
328 . 1 1 43 43 PHE N N 15 116.572 0.300 . 1 . . . A 35 PHE N . 25818 1
329 . 1 1 44 44 ILE H H 1 7.686 0.020 . 1 . . . A 36 ILE H . 25818 1
330 . 1 1 44 44 ILE HA H 1 4.108 0.020 . 1 . . . A 36 ILE HA . 25818 1
331 . 1 1 44 44 ILE HB H 1 1.806 0.020 . 1 . . . A 36 ILE HB . 25818 1
332 . 1 1 44 44 ILE HG12 H 1 1.388 0.020 . 2 . . . A 36 ILE HG12 . 25818 1
333 . 1 1 44 44 ILE HG13 H 1 1.094 0.020 . 2 . . . A 36 ILE HG13 . 25818 1
334 . 1 1 44 44 ILE HD11 H 1 0.827 0.020 . 2 . . . A 36 ILE HD11 . 25818 1
335 . 1 1 44 44 ILE HD12 H 1 0.827 0.020 . 2 . . . A 36 ILE HD12 . 25818 1
336 . 1 1 44 44 ILE HD13 H 1 0.827 0.020 . 2 . . . A 36 ILE HD13 . 25818 1
337 . 1 1 44 44 ILE C C 13 174.975 0.300 . 1 . . . A 36 ILE C . 25818 1
338 . 1 1 44 44 ILE CA C 13 60.863 0.300 . 1 . . . A 36 ILE CA . 25818 1
339 . 1 1 44 44 ILE CB C 13 39.010 0.300 . 1 . . . A 36 ILE CB . 25818 1
340 . 1 1 44 44 ILE N N 15 119.136 0.300 . 1 . . . A 36 ILE N . 25818 1
341 . 1 1 45 45 ALA H H 1 8.169 0.020 . 1 . . . A 37 ALA H . 25818 1
342 . 1 1 45 45 ALA HA H 1 4.513 0.020 . 1 . . . A 37 ALA HA . 25818 1
343 . 1 1 45 45 ALA HB1 H 1 1.315 0.020 . 1 . . . A 37 ALA HB1 . 25818 1
344 . 1 1 45 45 ALA HB2 H 1 1.315 0.020 . 1 . . . A 37 ALA HB2 . 25818 1
345 . 1 1 45 45 ALA HB3 H 1 1.315 0.020 . 1 . . . A 37 ALA HB3 . 25818 1
346 . 1 1 45 45 ALA CA C 13 50.437 0.300 . 1 . . . A 37 ALA CA . 25818 1
347 . 1 1 45 45 ALA CB C 13 18.317 0.300 . 1 . . . A 37 ALA CB . 25818 1
348 . 1 1 45 45 ALA N N 15 127.555 0.300 . 1 . . . A 37 ALA N . 25818 1
349 . 1 1 46 46 PRO HA H 1 4.385 0.020 . 1 . . . A 38 PRO HA . 25818 1
350 . 1 1 46 46 PRO HB2 H 1 2.242 0.020 . 2 . . . A 38 PRO HB2 . 25818 1
351 . 1 1 46 46 PRO HB3 H 1 1.841 0.020 . 2 . . . A 38 PRO HB3 . 25818 1
352 . 1 1 46 46 PRO C C 13 176.643 0.300 . 1 . . . A 38 PRO C . 25818 1
353 . 1 1 46 46 PRO CA C 13 62.998 0.300 . 1 . . . A 38 PRO CA . 25818 1
354 . 1 1 46 46 PRO CB C 13 31.849 0.300 . 1 . . . A 38 PRO CB . 25818 1
355 . 1 1 47 47 ARG H H 1 8.311 0.020 . 1 . . . A 39 ARG H . 25818 1
356 . 1 1 47 47 ARG HA H 1 4.277 0.020 . 1 . . . A 39 ARG HA . 25818 1
357 . 1 1 47 47 ARG HB2 H 1 1.709 0.020 . 2 . . . A 39 ARG HB2 . 25818 1
358 . 1 1 47 47 ARG HB3 H 1 1.709 0.020 . 2 . . . A 39 ARG HB3 . 25818 1
359 . 1 1 47 47 ARG HG2 H 1 1.627 0.020 . 2 . . . A 39 ARG HG2 . 25818 1
360 . 1 1 47 47 ARG HG3 H 1 1.627 0.020 . 2 . . . A 39 ARG HG3 . 25818 1
361 . 1 1 47 47 ARG C C 13 176.026 0.300 . 1 . . . A 39 ARG C . 25818 1
362 . 1 1 47 47 ARG CA C 13 55.808 0.300 . 1 . . . A 39 ARG CA . 25818 1
363 . 1 1 47 47 ARG CB C 13 31.178 0.300 . 1 . . . A 39 ARG CB . 25818 1
364 . 1 1 47 47 ARG N N 15 121.037 0.300 . 1 . . . A 39 ARG N . 25818 1
365 . 1 1 48 48 GLU H H 1 8.346 0.020 . 1 . . . A 40 GLU H . 25818 1
366 . 1 1 48 48 GLU HA H 1 4.284 0.020 . 1 . . . A 40 GLU HA . 25818 1
367 . 1 1 48 48 GLU HB2 H 1 1.849 0.020 . 2 . . . A 40 GLU HB2 . 25818 1
368 . 1 1 48 48 GLU HB3 H 1 1.849 0.020 . 2 . . . A 40 GLU HB3 . 25818 1
369 . 1 1 48 48 GLU HG2 H 1 2.223 0.020 . 2 . . . A 40 GLU HG2 . 25818 1
370 . 1 1 48 48 GLU HG3 H 1 2.010 0.020 . 2 . . . A 40 GLU HG3 . 25818 1
371 . 1 1 48 48 GLU CA C 13 54.336 0.300 . 1 . . . A 40 GLU CA . 25818 1
372 . 1 1 48 48 GLU CB C 13 29.606 0.300 . 1 . . . A 40 GLU CB . 25818 1
373 . 1 1 48 48 GLU N N 15 122.834 0.300 . 1 . . . A 40 GLU N . 25818 1
374 . 1 1 49 49 PRO HA H 1 4.332 0.020 . 1 . . . A 41 PRO HA . 25818 1
375 . 1 1 49 49 PRO HB2 H 1 2.252 0.020 . 2 . . . A 41 PRO HB2 . 25818 1
376 . 1 1 49 49 PRO HB3 H 1 1.916 0.020 . 2 . . . A 41 PRO HB3 . 25818 1
377 . 1 1 49 49 PRO C C 13 177.496 0.300 . 1 . . . A 41 PRO C . 25818 1
378 . 1 1 49 49 PRO CA C 13 63.793 0.300 . 1 . . . A 41 PRO CA . 25818 1
379 . 1 1 49 49 PRO CB C 13 31.794 0.300 . 1 . . . A 41 PRO CB . 25818 1
380 . 1 1 50 50 GLY H H 1 8.412 0.020 . 1 . . . A 42 GLY H . 25818 1
381 . 1 1 50 50 GLY HA2 H 1 3.896 0.020 . 2 . . . A 42 GLY HA2 . 25818 1
382 . 1 1 50 50 GLY HA3 H 1 3.896 0.020 . 2 . . . A 42 GLY HA3 . 25818 1
383 . 1 1 50 50 GLY C C 13 173.808 0.300 . 1 . . . A 42 GLY C . 25818 1
384 . 1 1 50 50 GLY CA C 13 45.233 0.300 . 1 . . . A 42 GLY CA . 25818 1
385 . 1 1 50 50 GLY N N 15 108.890 0.300 . 1 . . . A 42 GLY N . 25818 1
386 . 1 1 51 51 ALA H H 1 7.929 0.020 . 1 . . . A 43 ALA H . 25818 1
387 . 1 1 51 51 ALA HA H 1 4.297 0.020 . 1 . . . A 43 ALA HA . 25818 1
388 . 1 1 51 51 ALA HB1 H 1 1.339 0.020 . 1 . . . A 43 ALA HB1 . 25818 1
389 . 1 1 51 51 ALA HB2 H 1 1.339 0.020 . 1 . . . A 43 ALA HB2 . 25818 1
390 . 1 1 51 51 ALA HB3 H 1 1.339 0.020 . 1 . . . A 43 ALA HB3 . 25818 1
391 . 1 1 51 51 ALA C C 13 177.567 0.300 . 1 . . . A 43 ALA C . 25818 1
392 . 1 1 51 51 ALA CA C 13 52.486 0.300 . 1 . . . A 43 ALA CA . 25818 1
393 . 1 1 51 51 ALA CB C 13 19.425 0.300 . 1 . . . A 43 ALA CB . 25818 1
394 . 1 1 51 51 ALA N N 15 123.534 0.300 . 1 . . . A 43 ALA N . 25818 1
395 . 1 1 52 52 VAL H H 1 7.985 0.020 . 1 . . . A 44 VAL H . 25818 1
396 . 1 1 52 52 VAL HA H 1 4.118 0.020 . 1 . . . A 44 VAL HA . 25818 1
397 . 1 1 52 52 VAL HB H 1 1.971 0.020 . 1 . . . A 44 VAL HB . 25818 1
398 . 1 1 52 52 VAL HG11 H 1 0.584 0.020 . 2 . . . A 44 VAL HG11 . 25818 1
399 . 1 1 52 52 VAL HG12 H 1 0.584 0.020 . 2 . . . A 44 VAL HG12 . 25818 1
400 . 1 1 52 52 VAL HG13 H 1 0.584 0.020 . 2 . . . A 44 VAL HG13 . 25818 1
401 . 1 1 52 52 VAL HG21 H 1 0.824 0.020 . 2 . . . A 44 VAL HG21 . 25818 1
402 . 1 1 52 52 VAL HG22 H 1 0.824 0.020 . 2 . . . A 44 VAL HG22 . 25818 1
403 . 1 1 52 52 VAL HG23 H 1 0.824 0.020 . 2 . . . A 44 VAL HG23 . 25818 1
404 . 1 1 52 52 VAL C C 13 175.647 0.300 . 1 . . . A 44 VAL C . 25818 1
405 . 1 1 52 52 VAL CA C 13 62.060 0.300 . 1 . . . A 44 VAL CA . 25818 1
406 . 1 1 52 52 VAL CB C 13 32.901 0.300 . 1 . . . A 44 VAL CB . 25818 1
407 . 1 1 52 52 VAL N N 15 118.351 0.300 . 1 . . . A 44 VAL N . 25818 1
408 . 1 1 53 53 SER H H 1 8.081 0.020 . 1 . . . A 45 SER H . 25818 1
409 . 1 1 53 53 SER HA H 1 4.394 0.020 . 1 . . . A 45 SER HA . 25818 1
410 . 1 1 53 53 SER HB2 H 1 3.753 0.020 . 2 . . . A 45 SER HB2 . 25818 1
411 . 1 1 53 53 SER HB3 H 1 3.753 0.020 . 2 . . . A 45 SER HB3 . 25818 1
412 . 1 1 53 53 SER C C 13 172.840 0.300 . 1 . . . A 45 SER C . 25818 1
413 . 1 1 53 53 SER CA C 13 57.993 0.300 . 1 . . . A 45 SER CA . 25818 1
414 . 1 1 53 53 SER CB C 13 64.261 0.300 . 1 . . . A 45 SER CB . 25818 1
415 . 1 1 53 53 SER N N 15 119.089 0.300 . 1 . . . A 45 SER N . 25818 1
416 . 1 1 54 54 TYR H H 1 7.628 0.020 . 1 . . . A 46 TYR H . 25818 1
417 . 1 1 54 54 TYR CA C 13 59.319 0.300 . 1 . . . A 46 TYR CA . 25818 1
418 . 1 1 54 54 TYR CB C 13 39.456 0.300 . 1 . . . A 46 TYR CB . 25818 1
419 . 1 1 54 54 TYR N N 15 126.703 0.300 . 1 . . . A 46 TYR N . 25818 1
stop_
save_