###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50104
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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' . . . 50104 1
2 '3D HNCO' . . . 50104 1
3 '3D HN(CA)CO' . . . 50104 1
4 '3D HNCACB' . . . 50104 1
5 '3D HN(CO)CA' . . . 50104 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 16 16 GLU H H 1 8.542 0.010 . 1 . . . . . 2 GLU H . 50104 1
2 . 1 1 16 16 GLU C C 13 174.732 0.1 . 1 . . . . . 2 GLU C . 50104 1
3 . 1 1 16 16 GLU CA C 13 55.997 0.1 . 1 . . . . . 2 GLU CA . 50104 1
4 . 1 1 16 16 GLU CB C 13 32.882 0.1 . 1 . . . . . 2 GLU CB . 50104 1
5 . 1 1 16 16 GLU N N 15 122.729 0.1 . 1 . . . . . 2 GLU N . 50104 1
6 . 1 1 17 17 ALA H H 1 8.933 0.010 . 1 . . . . . 3 ALA H . 50104 1
7 . 1 1 17 17 ALA C C 13 174.417 0.1 . 1 . . . . . 3 ALA C . 50104 1
8 . 1 1 17 17 ALA CA C 13 50.466 0.1 . 1 . . . . . 3 ALA CA . 50104 1
9 . 1 1 17 17 ALA CB C 13 24.379 0.1 . 1 . . . . . 3 ALA CB . 50104 1
10 . 1 1 17 17 ALA N N 15 124.189 0.1 . 1 . . . . . 3 ALA N . 50104 1
11 . 1 1 18 18 ILE H H 1 8.768 0.010 . 1 . . . . . 4 ILE H . 50104 1
12 . 1 1 18 18 ILE C C 13 176.112 0.1 . 1 . . . . . 4 ILE C . 50104 1
13 . 1 1 18 18 ILE CA C 13 58.887 0.1 . 1 . . . . . 4 ILE CA . 50104 1
14 . 1 1 18 18 ILE CB C 13 40.807 0.1 . 1 . . . . . 4 ILE CB . 50104 1
15 . 1 1 18 18 ILE N N 15 119.239 0.1 . 1 . . . . . 4 ILE N . 50104 1
16 . 1 1 19 19 ALA H H 1 8.807 0.010 . 1 . . . . . 5 ALA H . 50104 1
17 . 1 1 19 19 ALA C C 13 178.947 0.1 . 1 . . . . . 5 ALA C . 50104 1
18 . 1 1 19 19 ALA CA C 13 52.778 0.1 . 1 . . . . . 5 ALA CA . 50104 1
19 . 1 1 19 19 ALA CB C 13 21.820 0.1 . 1 . . . . . 5 ALA CB . 50104 1
20 . 1 1 19 19 ALA N N 15 128.442 0.1 . 1 . . . . . 5 ALA N . 50104 1
21 . 1 1 20 20 LYS H H 1 9.365 0.010 . 1 . . . . . 6 LYS H . 50104 1
22 . 1 1 20 20 LYS C C 13 174.441 0.1 . 1 . . . . . 6 LYS C . 50104 1
23 . 1 1 20 20 LYS CA C 13 56.988 0.1 . 1 . . . . . 6 LYS CA . 50104 1
24 . 1 1 20 20 LYS CB C 13 33.460 0.1 . 1 . . . . . 6 LYS CB . 50104 1
25 . 1 1 20 20 LYS N N 15 125.876 0.1 . 1 . . . . . 6 LYS N . 50104 1
26 . 1 1 21 21 TYR H H 1 7.348 0.010 . 1 . . . . . 7 TYR H . 50104 1
27 . 1 1 21 21 TYR C C 13 173.351 0.1 . 1 . . . . . 7 TYR C . 50104 1
28 . 1 1 21 21 TYR CA C 13 54.346 0.1 . 1 . . . . . 7 TYR CA . 50104 1
29 . 1 1 21 21 TYR CB C 13 43.284 0.1 . 1 . . . . . 7 TYR CB . 50104 1
30 . 1 1 21 21 TYR N N 15 112.763 0.1 . 1 . . . . . 7 TYR N . 50104 1
31 . 1 1 22 22 ASP H H 1 8.418 0.010 . 1 . . . . . 8 ASP H . 50104 1
32 . 1 1 22 22 ASP C C 13 175.652 0.1 . 1 . . . . . 8 ASP C . 50104 1
33 . 1 1 22 22 ASP CA C 13 54.594 0.1 . 1 . . . . . 8 ASP CA . 50104 1
34 . 1 1 22 22 ASP CB C 13 41.468 0.1 . 1 . . . . . 8 ASP CB . 50104 1
35 . 1 1 22 22 ASP N N 15 118.160 0.1 . 1 . . . . . 8 ASP N . 50104 1
36 . 1 1 23 23 PHE H H 1 8.475 0.010 . 1 . . . . . 9 PHE H . 50104 1
37 . 1 1 23 23 PHE C C 13 172.818 0.1 . 1 . . . . . 9 PHE C . 50104 1
38 . 1 1 23 23 PHE CA C 13 57.236 0.1 . 1 . . . . . 9 PHE CA . 50104 1
39 . 1 1 23 23 PHE CB C 13 42.789 0.1 . 1 . . . . . 9 PHE CB . 50104 1
40 . 1 1 23 23 PHE N N 15 121.253 0.1 . 1 . . . . . 9 PHE N . 50104 1
41 . 1 1 24 24 LYS H H 1 7.347 0.010 . 1 . . . . . 10 LYS H . 50104 1
42 . 1 1 24 24 LYS C C 13 173.254 0.1 . 1 . . . . . 10 LYS C . 50104 1
43 . 1 1 24 24 LYS CA C 13 53.355 0.1 . 1 . . . . . 10 LYS CA . 50104 1
44 . 1 1 24 24 LYS CB C 13 33.130 0.1 . 1 . . . . . 10 LYS CB . 50104 1
45 . 1 1 24 24 LYS N N 15 128.769 0.1 . 1 . . . . . 10 LYS N . 50104 1
46 . 1 1 25 25 ALA H H 1 8.155 0.010 . 1 . . . . . 11 ALA H . 50104 1
47 . 1 1 25 25 ALA C C 13 178.341 0.1 . 1 . . . . . 11 ALA C . 50104 1
48 . 1 1 25 25 ALA CA C 13 53.190 0.1 . 1 . . . . . 11 ALA CA . 50104 1
49 . 1 1 25 25 ALA CB C 13 20.747 0.1 . 1 . . . . . 11 ALA CB . 50104 1
50 . 1 1 25 25 ALA N N 15 126.654 0.1 . 1 . . . . . 11 ALA N . 50104 1
51 . 1 1 26 26 THR H H 1 9.029 0.010 . 1 . . . . . 12 THR H . 50104 1
52 . 1 1 26 26 THR C C 13 173.423 0.1 . 1 . . . . . 12 THR C . 50104 1
53 . 1 1 26 26 THR CA C 13 61.693 0.1 . 1 . . . . . 12 THR CA . 50104 1
54 . 1 1 26 26 THR CB C 13 69.784 0.1 . 1 . . . . . 12 THR CB . 50104 1
55 . 1 1 26 26 THR N N 15 113.572 0.1 . 1 . . . . . 12 THR N . 50104 1
56 . 1 1 27 27 ALA H H 1 7.495 0.010 . 1 . . . . . 13 ALA H . 50104 1
57 . 1 1 27 27 ALA C C 13 178.341 0.1 . 1 . . . . . 13 ALA C . 50104 1
58 . 1 1 27 27 ALA CA C 13 50.714 0.1 . 1 . . . . . 13 ALA CA . 50104 1
59 . 1 1 27 27 ALA CB C 13 22.811 0.1 . 1 . . . . . 13 ALA CB . 50104 1
60 . 1 1 27 27 ALA N N 15 123.468 0.1 . 1 . . . . . 13 ALA N . 50104 1
61 . 1 1 28 28 ASP H H 1 8.696 0.010 . 1 . . . . . 14 ASP H . 50104 1
62 . 1 1 28 28 ASP C C 13 175.773 0.1 . 1 . . . . . 14 ASP C . 50104 1
63 . 1 1 28 28 ASP CA C 13 56.575 0.1 . 1 . . . . . 14 ASP CA . 50104 1
64 . 1 1 28 28 ASP CB C 13 40.642 0.1 . 1 . . . . . 14 ASP CB . 50104 1
65 . 1 1 28 28 ASP N N 15 118.888 0.1 . 1 . . . . . 14 ASP N . 50104 1
66 . 1 1 29 29 ASP H H 1 8.193 0.010 . 1 . . . . . 15 ASP H . 50104 1
67 . 1 1 29 29 ASP C C 13 176.088 0.1 . 1 . . . . . 15 ASP C . 50104 1
68 . 1 1 29 29 ASP CA C 13 52.530 0.1 . 1 . . . . . 15 ASP CA . 50104 1
69 . 1 1 29 29 ASP CB C 13 39.486 0.1 . 1 . . . . . 15 ASP CB . 50104 1
70 . 1 1 29 29 ASP N N 15 115.110 0.1 . 1 . . . . . 15 ASP N . 50104 1
71 . 1 1 30 30 GLU H H 1 7.535 0.010 . 1 . . . . . 16 GLU H . 50104 1
72 . 1 1 30 30 GLU C C 13 175.168 0.1 . 1 . . . . . 16 GLU C . 50104 1
73 . 1 1 30 30 GLU CA C 13 55.172 0.1 . 1 . . . . . 16 GLU CA . 50104 1
74 . 1 1 30 30 GLU CB C 13 32.634 0.1 . 1 . . . . . 16 GLU CB . 50104 1
75 . 1 1 30 30 GLU N N 15 119.792 0.1 . 1 . . . . . 16 GLU N . 50104 1
76 . 1 1 31 31 LEU H H 1 8.272 0.010 . 1 . . . . . 17 LEU H . 50104 1
77 . 1 1 31 31 LEU C C 13 174.417 0.1 . 1 . . . . . 17 LEU C . 50104 1
78 . 1 1 31 31 LEU CA C 13 53.521 0.1 . 1 . . . . . 17 LEU CA . 50104 1
79 . 1 1 31 31 LEU CB C 13 45.348 0.1 . 1 . . . . . 17 LEU CB . 50104 1
80 . 1 1 31 31 LEU N N 15 124.632 0.1 . 1 . . . . . 17 LEU N . 50104 1
81 . 1 1 32 32 SER H H 1 7.842 0.010 . 1 . . . . . 18 SER H . 50104 1
82 . 1 1 32 32 SER C C 13 173.884 0.1 . 1 . . . . . 18 SER C . 50104 1
83 . 1 1 32 32 SER CA C 13 58.887 0.1 . 1 . . . . . 18 SER CA . 50104 1
84 . 1 1 32 32 SER CB C 13 64.500 0.1 . 1 . . . . . 18 SER CB . 50104 1
85 . 1 1 32 32 SER N N 15 117.674 0.1 . 1 . . . . . 18 SER N . 50104 1
86 . 1 1 33 33 PHE H H 1 8.777 0.010 . 1 . . . . . 19 PHE H . 50104 1
87 . 1 1 33 33 PHE C C 13 173.714 0.1 . 1 . . . . . 19 PHE C . 50104 1
88 . 1 1 33 33 PHE CA C 13 56.823 0.1 . 1 . . . . . 19 PHE CA . 50104 1
89 . 1 1 33 33 PHE CB C 13 40.312 0.1 . 1 . . . . . 19 PHE CB . 50104 1
90 . 1 1 33 33 PHE N N 15 115.866 0.1 . 1 . . . . . 19 PHE N . 50104 1
91 . 1 1 34 34 LYS H H 1 9.666 0.010 . 1 . . . . . 20 LYS H . 50104 1
92 . 1 1 34 34 LYS C C 13 175.749 0.1 . 1 . . . . . 20 LYS C . 50104 1
93 . 1 1 34 34 LYS CA C 13 53.438 0.1 . 1 . . . . . 20 LYS CA . 50104 1
94 . 1 1 34 34 LYS CB C 13 35.276 0.1 . 1 . . . . . 20 LYS CB . 50104 1
95 . 1 1 34 34 LYS N N 15 121.380 0.1 . 1 . . . . . 20 LYS N . 50104 1
96 . 1 1 35 35 ARG H H 1 9.190 0.010 . 1 . . . . . 21 ARG H . 50104 1
97 . 1 1 35 35 ARG C C 13 176.985 0.1 . 1 . . . . . 21 ARG C . 50104 1
98 . 1 1 35 35 ARG CA C 13 58.391 0.1 . 1 . . . . . 21 ARG CA . 50104 1
99 . 1 1 35 35 ARG CB C 13 30.158 0.1 . 1 . . . . . 21 ARG CB . 50104 1
100 . 1 1 35 35 ARG N N 15 121.047 0.1 . 1 . . . . . 21 ARG N . 50104 1
101 . 1 1 36 36 GLY H H 1 8.921 0.010 . 1 . . . . . 22 GLY H . 50104 1
102 . 1 1 36 36 GLY C C 13 174.126 0.1 . 1 . . . . . 22 GLY C . 50104 1
103 . 1 1 36 36 GLY CA C 13 44.852 0.1 . 1 . . . . . 22 GLY CA . 50104 1
104 . 1 1 36 36 GLY N N 15 115.434 0.1 . 1 . . . . . 22 GLY N . 50104 1
105 . 1 1 37 37 ASP H H 1 8.548 0.010 . 1 . . . . . 23 ASP H . 50104 1
106 . 1 1 37 37 ASP C C 13 174.707 0.1 . 1 . . . . . 23 ASP C . 50104 1
107 . 1 1 37 37 ASP CA C 13 55.915 0.1 . 1 . . . . . 23 ASP CA . 50104 1
108 . 1 1 37 37 ASP CB C 13 41.633 0.1 . 1 . . . . . 23 ASP CB . 50104 1
109 . 1 1 37 37 ASP N N 15 122.267 0.1 . 1 . . . . . 23 ASP N . 50104 1
110 . 1 1 38 38 ILE H H 1 8.130 0.010 . 1 . . . . . 24 ILE H . 50104 1
111 . 1 1 38 38 ILE C C 13 175.749 0.1 . 1 . . . . . 24 ILE C . 50104 1
112 . 1 1 38 38 ILE CA C 13 59.630 0.1 . 1 . . . . . 24 ILE CA . 50104 1
113 . 1 1 38 38 ILE CB C 13 37.340 0.1 . 1 . . . . . 24 ILE CB . 50104 1
114 . 1 1 38 38 ILE N N 15 119.671 0.1 . 1 . . . . . 24 ILE N . 50104 1
115 . 1 1 39 39 LEU H H 1 9.014 0.010 . 1 . . . . . 25 LEU H . 50104 1
116 . 1 1 39 39 LEU C C 13 175.289 0.1 . 1 . . . . . 25 LEU C . 50104 1
117 . 1 1 39 39 LEU CA C 13 53.851 0.1 . 1 . . . . . 25 LEU CA . 50104 1
118 . 1 1 39 39 LEU CB C 13 44.440 0.1 . 1 . . . . . 25 LEU CB . 50104 1
119 . 1 1 39 39 LEU N N 15 127.942 0.1 . 1 . . . . . 25 LEU N . 50104 1
120 . 1 1 40 40 LYS H H 1 8.147 0.010 . 1 . . . . . 26 LYS H . 50104 1
121 . 1 1 40 40 LYS C C 13 175.701 0.1 . 1 . . . . . 26 LYS C . 50104 1
122 . 1 1 40 40 LYS CA C 13 55.172 0.1 . 1 . . . . . 26 LYS CA . 50104 1
123 . 1 1 40 40 LYS CB C 13 33.212 0.1 . 1 . . . . . 26 LYS CB . 50104 1
124 . 1 1 40 40 LYS N N 15 121.073 0.1 . 1 . . . . . 26 LYS N . 50104 1
125 . 1 1 41 41 VAL H H 1 8.664 0.010 . 1 . . . . . 27 VAL H . 50104 1
126 . 1 1 41 41 VAL C C 13 175.725 0.1 . 1 . . . . . 27 VAL C . 50104 1
127 . 1 1 41 41 VAL CA C 13 63.344 0.1 . 1 . . . . . 27 VAL CA . 50104 1
128 . 1 1 41 41 VAL CB C 13 32.139 0.1 . 1 . . . . . 27 VAL CB . 50104 1
129 . 1 1 41 41 VAL N N 15 125.793 0.1 . 1 . . . . . 27 VAL N . 50104 1
130 . 1 1 42 42 LEU H H 1 8.971 0.010 . 1 . . . . . 28 LEU H . 50104 1
131 . 1 1 42 42 LEU C C 13 177.130 0.1 . 1 . . . . . 28 LEU C . 50104 1
132 . 1 1 42 42 LEU CA C 13 54.759 0.1 . 1 . . . . . 28 LEU CA . 50104 1
133 . 1 1 42 42 LEU CB C 13 42.541 0.1 . 1 . . . . . 28 LEU CB . 50104 1
134 . 1 1 42 42 LEU N N 15 128.230 0.1 . 1 . . . . . 28 LEU N . 50104 1
135 . 1 1 45 45 GLU H H 1 8.664 0.010 . 1 . . . . . 31 GLU H . 50104 1
136 . 1 1 45 45 GLU C C 13 176.016 0.1 . 1 . . . . . 31 GLU C . 50104 1
137 . 1 1 45 45 GLU CA C 13 56.327 0.1 . 1 . . . . . 31 GLU CA . 50104 1
138 . 1 1 45 45 GLU CB C 13 30.075 0.1 . 1 . . . . . 31 GLU CB . 50104 1
139 . 1 1 45 45 GLU N N 15 123.413 0.1 . 1 . . . . . 31 GLU N . 50104 1
140 . 1 1 46 46 CYS H H 1 8.454 0.010 . 1 . . . . . 32 CYS H . 50104 1
141 . 1 1 46 46 CYS C C 13 173.617 0.1 . 1 . . . . . 32 CYS C . 50104 1
142 . 1 1 46 46 CYS CA C 13 58.226 0.1 . 1 . . . . . 32 CYS CA . 50104 1
143 . 1 1 46 46 CYS CB C 13 29.415 0.1 . 1 . . . . . 32 CYS CB . 50104 1
144 . 1 1 46 46 CYS N N 15 119.940 0.1 . 1 . . . . . 32 CYS N . 50104 1
145 . 1 1 47 47 ASP H H 1 8.158 0.010 . 1 . . . . . 33 ASP H . 50104 1
146 . 1 1 47 47 ASP C C 13 175.725 0.1 . 1 . . . . . 33 ASP C . 50104 1
147 . 1 1 47 47 ASP CA C 13 54.594 0.1 . 1 . . . . . 33 ASP CA . 50104 1
148 . 1 1 47 47 ASP CB C 13 43.366 0.1 . 1 . . . . . 33 ASP CB . 50104 1
149 . 1 1 47 47 ASP N N 15 121.469 0.1 . 1 . . . . . 33 ASP N . 50104 1
150 . 1 1 48 48 GLN H H 1 8.571 0.010 . 1 . . . . . 34 GLN H . 50104 1
151 . 1 1 48 48 GLN C C 13 176.452 0.1 . 1 . . . . . 34 GLN C . 50104 1
152 . 1 1 48 48 GLN CA C 13 57.978 0.1 . 1 . . . . . 34 GLN CA . 50104 1
153 . 1 1 48 48 GLN CB C 13 29.415 0.1 . 1 . . . . . 34 GLN CB . 50104 1
154 . 1 1 48 48 GLN N N 15 120.966 0.1 . 1 . . . . . 34 GLN N . 50104 1
155 . 1 1 49 49 ASN H H 1 9.236 0.010 . 1 . . . . . 35 ASN H . 50104 1
156 . 1 1 49 49 ASN C C 13 173.472 0.1 . 1 . . . . . 35 ASN C . 50104 1
157 . 1 1 49 49 ASN CA C 13 54.016 0.1 . 1 . . . . . 35 ASN CA . 50104 1
158 . 1 1 49 49 ASN CB C 13 40.147 0.1 . 1 . . . . . 35 ASN CB . 50104 1
159 . 1 1 49 49 ASN N N 15 115.056 0.1 . 1 . . . . . 35 ASN N . 50104 1
160 . 1 1 50 50 TRP H H 1 7.986 0.010 . 1 . . . . . 36 TRP H . 50104 1
161 . 1 1 50 50 TRP C C 13 174.417 0.1 . 1 . . . . . 36 TRP C . 50104 1
162 . 1 1 50 50 TRP CA C 13 56.740 0.1 . 1 . . . . . 36 TRP CA . 50104 1
163 . 1 1 50 50 TRP CB C 13 32.057 0.1 . 1 . . . . . 36 TRP CB . 50104 1
164 . 1 1 50 50 TRP N N 15 120.607 0.1 . 1 . . . . . 36 TRP N . 50104 1
165 . 1 1 51 51 TYR H H 1 9.155 0.010 . 1 . . . . . 37 TYR H . 50104 1
166 . 1 1 51 51 TYR C C 13 176.137 0.1 . 1 . . . . . 37 TYR C . 50104 1
167 . 1 1 51 51 TYR CA C 13 55.172 0.1 . 1 . . . . . 37 TYR CA . 50104 1
168 . 1 1 51 51 TYR CB C 13 42.128 0.1 . 1 . . . . . 37 TYR CB . 50104 1
169 . 1 1 51 51 TYR N N 15 117.944 0.1 . 1 . . . . . 37 TYR N . 50104 1
170 . 1 1 52 52 LYS H H 1 9.190 0.010 . 1 . . . . . 38 LYS H . 50104 1
171 . 1 1 52 52 LYS C C 13 174.683 0.1 . 1 . . . . . 38 LYS C . 50104 1
172 . 1 1 52 52 LYS CA C 13 56.162 0.1 . 1 . . . . . 38 LYS CA . 50104 1
173 . 1 1 52 52 LYS CB C 13 33.295 0.1 . 1 . . . . . 38 LYS CB . 50104 1
174 . 1 1 52 52 LYS N N 15 122.211 0.1 . 1 . . . . . 38 LYS N . 50104 1
175 . 1 1 53 53 ALA H H 1 9.197 0.010 . 1 . . . . . 39 ALA H . 50104 1
176 . 1 1 53 53 ALA C C 13 173.763 0.1 . 1 . . . . . 39 ALA C . 50104 1
177 . 1 1 53 53 ALA CA C 13 50.714 0.1 . 1 . . . . . 39 ALA CA . 50104 1
178 . 1 1 53 53 ALA CB C 13 25.783 0.1 . 1 . . . . . 39 ALA CB . 50104 1
179 . 1 1 53 53 ALA N N 15 129.377 0.1 . 1 . . . . . 39 ALA N . 50104 1
180 . 1 1 54 54 GLU H H 1 8.822 0.010 . 1 . . . . . 40 GLU H . 50104 1
181 . 1 1 54 54 GLU C C 13 175.265 0.1 . 1 . . . . . 40 GLU C . 50104 1
182 . 1 1 54 54 GLU CA C 13 54.594 0.1 . 1 . . . . . 40 GLU CA . 50104 1
183 . 1 1 54 54 GLU CB C 13 34.286 0.1 . 1 . . . . . 40 GLU CB . 50104 1
184 . 1 1 54 54 GLU N N 15 117.296 0.1 . 1 . . . . . 40 GLU N . 50104 1
185 . 1 1 55 55 LEU H H 1 8.895 0.010 . 1 . . . . . 41 LEU H . 50104 1
186 . 1 1 55 55 LEU C C 13 176.040 0.1 . 1 . . . . . 41 LEU C . 50104 1
187 . 1 1 55 55 LEU CA C 13 54.924 0.1 . 1 . . . . . 41 LEU CA . 50104 1
188 . 1 1 55 55 LEU CB C 13 45.843 0.1 . 1 . . . . . 41 LEU CB . 50104 1
189 . 1 1 55 55 LEU N N 15 124.688 0.1 . 1 . . . . . 41 LEU N . 50104 1
190 . 1 1 56 56 ASN H H 1 9.761 0.010 . 1 . . . . . 42 ASN H . 50104 1
191 . 1 1 56 56 ASN C C 13 175.119 0.1 . 1 . . . . . 42 ASN C . 50104 1
192 . 1 1 56 56 ASN CA C 13 54.429 0.1 . 1 . . . . . 42 ASN CA . 50104 1
193 . 1 1 56 56 ASN CB C 13 37.670 0.1 . 1 . . . . . 42 ASN CB . 50104 1
194 . 1 1 56 56 ASN N N 15 127.563 0.1 . 1 . . . . . 42 ASN N . 50104 1
195 . 1 1 57 57 GLY H H 1 9.077 0.010 . 1 . . . . . 43 GLY H . 50104 1
196 . 1 1 57 57 GLY C C 13 173.593 0.1 . 1 . . . . . 43 GLY C . 50104 1
197 . 1 1 57 57 GLY CA C 13 45.595 0.1 . 1 . . . . . 43 GLY CA . 50104 1
198 . 1 1 57 57 GLY N N 15 104.700 0.1 . 1 . . . . . 43 GLY N . 50104 1
199 . 1 1 58 58 LYS H H 1 7.816 0.010 . 1 . . . . . 44 LYS H . 50104 1
200 . 1 1 58 58 LYS C C 13 173.738 0.1 . 1 . . . . . 44 LYS C . 50104 1
201 . 1 1 58 58 LYS CA C 13 54.841 0.1 . 1 . . . . . 44 LYS CA . 50104 1
202 . 1 1 58 58 LYS CB C 13 35.029 0.1 . 1 . . . . . 44 LYS CB . 50104 1
203 . 1 1 58 58 LYS N N 15 121.860 0.1 . 1 . . . . . 44 LYS N . 50104 1
204 . 1 1 59 59 ASP H H 1 8.319 0.010 . 1 . . . . . 45 ASP H . 50104 1
205 . 1 1 59 59 ASP C C 13 175.797 0.1 . 1 . . . . . 45 ASP C . 50104 1
206 . 1 1 59 59 ASP CA C 13 51.787 0.1 . 1 . . . . . 45 ASP CA . 50104 1
207 . 1 1 59 59 ASP CB C 13 44.522 0.1 . 1 . . . . . 45 ASP CB . 50104 1
208 . 1 1 59 59 ASP N N 15 119.104 0.1 . 1 . . . . . 45 ASP N . 50104 1
209 . 1 1 60 60 GLY H H 1 8.606 0.010 . 1 . . . . . 46 GLY H . 50104 1
210 . 1 1 60 60 GLY C C 13 171.243 0.1 . 1 . . . . . 46 GLY C . 50104 1
211 . 1 1 60 60 GLY CA C 13 45.265 0.1 . 1 . . . . . 46 GLY CA . 50104 1
212 . 1 1 60 60 GLY N N 15 104.317 0.1 . 1 . . . . . 46 GLY N . 50104 1
213 . 1 1 61 61 PHE H H 1 9.312 0.010 . 1 . . . . . 47 PHE H . 50104 1
214 . 1 1 61 61 PHE C C 13 176.791 0.1 . 1 . . . . . 47 PHE C . 50104 1
215 . 1 1 61 61 PHE CA C 13 58.804 0.1 . 1 . . . . . 47 PHE CA . 50104 1
216 . 1 1 61 61 PHE CB C 13 40.972 0.1 . 1 . . . . . 47 PHE CB . 50104 1
217 . 1 1 61 61 PHE N N 15 119.217 0.1 . 1 . . . . . 47 PHE N . 50104 1
218 . 1 1 62 62 ILE H H 1 9.749 0.010 . 1 . . . . . 48 ILE H . 50104 1
219 . 1 1 62 62 ILE C C 13 172.430 0.1 . 1 . . . . . 48 ILE C . 50104 1
220 . 1 1 62 62 ILE CA C 13 57.401 0.1 . 1 . . . . . 48 ILE CA . 50104 1
221 . 1 1 62 62 ILE CB C 13 40.972 0.1 . 1 . . . . . 48 ILE CB . 50104 1
222 . 1 1 62 62 ILE N N 15 113.545 0.1 . 1 . . . . . 48 ILE N . 50104 1
223 . 1 1 65 65 ASN H H 1 8.463 0.010 . 1 . . . . . 51 ASN H . 50104 1
224 . 1 1 65 65 ASN C C 13 175.265 0.1 . 1 . . . . . 51 ASN C . 50104 1
225 . 1 1 65 65 ASN CA C 13 53.603 0.1 . 1 . . . . . 51 ASN CA . 50104 1
226 . 1 1 65 65 ASN CB C 13 35.606 0.1 . 1 . . . . . 51 ASN CB . 50104 1
227 . 1 1 65 65 ASN N N 15 111.683 0.1 . 1 . . . . . 51 ASN N . 50104 1
228 . 1 1 66 66 TYR H H 1 7.685 0.010 . 1 . . . . . 52 TYR H . 50104 1
229 . 1 1 66 66 TYR C C 13 175.046 0.1 . 1 . . . . . 52 TYR C . 50104 1
230 . 1 1 66 66 TYR CA C 13 58.721 0.1 . 1 . . . . . 52 TYR CA . 50104 1
231 . 1 1 66 66 TYR CB C 13 39.817 0.1 . 1 . . . . . 52 TYR CB . 50104 1
232 . 1 1 66 66 TYR N N 15 119.596 0.1 . 1 . . . . . 52 TYR N . 50104 1
233 . 1 1 67 67 ILE H H 1 7.339 0.010 . 1 . . . . . 53 ILE H . 50104 1
234 . 1 1 67 67 ILE C C 13 173.811 0.1 . 1 . . . . . 53 ILE C . 50104 1
235 . 1 1 67 67 ILE CA C 13 58.474 0.1 . 1 . . . . . 53 ILE CA . 50104 1
236 . 1 1 67 67 ILE CB C 13 42.046 0.1 . 1 . . . . . 53 ILE CB . 50104 1
237 . 1 1 67 67 ILE N N 15 111.360 0.1 . 1 . . . . . 53 ILE N . 50104 1
238 . 1 1 68 68 GLU H H 1 8.795 0.010 . 1 . . . . . 54 GLU H . 50104 1
239 . 1 1 68 68 GLU C C 13 175.507 0.1 . 1 . . . . . 54 GLU C . 50104 1
240 . 1 1 68 68 GLU CA C 13 54.511 0.1 . 1 . . . . . 54 GLU CA . 50104 1
241 . 1 1 68 68 GLU CB C 13 32.965 0.1 . 1 . . . . . 54 GLU CB . 50104 1
242 . 1 1 68 68 GLU N N 15 120.615 0.1 . 1 . . . . . 54 GLU N . 50104 1
243 . 1 1 69 69 MET H H 1 8.896 0.010 . 1 . . . . . 55 MET H . 50104 1
244 . 1 1 69 69 MET C C 13 176.452 0.1 . 1 . . . . . 55 MET C . 50104 1
245 . 1 1 69 69 MET CA C 13 55.007 0.1 . 1 . . . . . 55 MET CA . 50104 1
246 . 1 1 69 69 MET N N 15 125.110 0.1 . 1 . . . . . 55 MET N . 50104 1
247 . 1 1 70 70 LYS H H 1 8.678 0.010 . 1 . . . . . 56 LYS H . 50104 1
248 . 1 1 70 70 LYS C C 13 174.392 0.1 . 1 . . . . . 56 LYS C . 50104 1
249 . 1 1 70 70 LYS CA C 13 54.511 0.1 . 1 . . . . . 56 LYS CA . 50104 1
250 . 1 1 70 70 LYS CB C 13 32.634 0.1 . 1 . . . . . 56 LYS CB . 50104 1
251 . 1 1 70 70 LYS N N 15 125.152 0.1 . 1 . . . . . 56 LYS N . 50104 1
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