###################################
# 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 18205
_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' . . . 18205 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 15 15 ILE CA C 13 54.341 0 . . . . . . 15 ILE CA . 18205 1
2 . 1 1 15 15 ILE CG2 C 13 21.121 0.233 . . . . . . 15 ILE CG2 . 18205 1
3 . 1 1 23 23 LEU CA C 13 54.335 0.266 . . . . . . 23 LEU CA . 18205 1
4 . 1 1 23 23 LEU CB C 13 39.737 0.029 . . . . . . 23 LEU CB . 18205 1
5 . 1 1 24 24 TYR CA C 13 56.46 0 . . . . . . 24 TYR CA . 18205 1
6 . 1 1 24 24 TYR N N 15 118.865 0.104 . . . . . . 24 TYR N . 18205 1
7 . 1 1 27 27 GLY CA C 13 42.867 0.091 . . . . . A 27 GLY CA . 18205 1
8 . 1 1 28 28 ILE CA C 13 60.071 0.248 . . . . . A 28 ILE CA . 18205 1
9 . 1 1 28 28 ILE CB C 13 36.21 0 . . . . . A 28 ILE CB . 18205 1
10 . 1 1 28 28 ILE CG2 C 13 16.043 0.121 . . . . . A 28 ILE CG2 . 18205 1
11 . 1 1 28 28 ILE CD1 C 13 11.688 0.039 . . . . . A 28 ILE CD1 . 18205 1
12 . 1 1 28 28 ILE N N 15 121.959 0.039 . . . . . A 28 ILE N . 18205 1
13 . 1 1 29 29 ARG CA C 13 52.419 0.201 . . . . . A 29 ARG CA . 18205 1
14 . 1 1 29 29 ARG CB C 13 29.075 0 . . . . . A 29 ARG CB . 18205 1
15 . 1 1 29 29 ARG N N 15 127.24 0.103 . . . . . A 29 ARG N . 18205 1
16 . 1 1 30 30 LYS CA C 13 52.616 0.097 . . . . . A 30 LYS CA . 18205 1
17 . 1 1 30 30 LYS CB C 13 31.532 0.067 . . . . . A 30 LYS CB . 18205 1
18 . 1 1 30 30 LYS CG C 13 24.25 0 . . . . . A 30 LYS CG . 18205 1
19 . 1 1 30 30 LYS CD C 13 27.252 0.225 . . . . . A 30 LYS CD . 18205 1
20 . 1 1 30 30 LYS CE C 13 40.048 0.069 . . . . . A 30 LYS CE . 18205 1
21 . 1 1 30 30 LYS N N 15 120.323 0.034 . . . . . A 30 LYS N . 18205 1
22 . 1 1 31 31 VAL CA C 13 58.956 0.046 . . . . . A 31 VAL CA . 18205 1
23 . 1 1 31 31 VAL CB C 13 34.058 0.102 . . . . . A 31 VAL CB . 18205 1
24 . 1 1 31 31 VAL N N 15 125.472 0.042 . . . . . A 31 VAL N . 18205 1
25 . 1 1 32 32 LEU CA C 13 51.517 0.089 . . . . . A 32 LEU CA . 18205 1
26 . 1 1 32 32 LEU CB C 13 41.46 0.028 . . . . . A 32 LEU CB . 18205 1
27 . 1 1 32 32 LEU CD1 C 13 22.194 0 . . . . . A 32 LEU CD1 . 18205 1
28 . 1 1 32 32 LEU CD2 C 13 22.194 0 . . . . . A 32 LEU CD2 . 18205 1
29 . 1 1 32 32 LEU N N 15 128.344 0.057 . . . . . A 32 LEU N . 18205 1
30 . 1 1 33 33 LEU CA C 13 52.288 0.167 . . . . . A 33 LEU CA . 18205 1
31 . 1 1 33 33 LEU CB C 13 43.19 0.079 . . . . . A 33 LEU CB . 18205 1
32 . 1 1 33 33 LEU CG C 13 23.924 0 . . . . . A 33 LEU CG . 18205 1
33 . 1 1 33 33 LEU CD1 C 13 24.142 0.007 . . . . . A 33 LEU CD1 . 18205 1
34 . 1 1 33 33 LEU CD2 C 13 24.071 0 . . . . . A 33 LEU CD2 . 18205 1
35 . 1 1 33 33 LEU N N 15 127.285 0.03 . . . . . A 33 LEU N . 18205 1
36 . 1 1 34 34 LEU CA C 13 51.585 0.062 . . . . . A 34 LEU CA . 18205 1
37 . 1 1 34 34 LEU CB C 13 41.323 0.108 . . . . . A 34 LEU CB . 18205 1
38 . 1 1 34 34 LEU CD1 C 13 22.333 0 . . . . . A 34 LEU CD1 . 18205 1
39 . 1 1 34 34 LEU CD2 C 13 22.333 0 . . . . . A 34 LEU CD2 . 18205 1
40 . 1 1 34 34 LEU N N 15 125.28 0.041 . . . . . A 34 LEU N . 18205 1
41 . 1 1 35 35 LYS CA C 13 52.071 0.084 . . . . . A 35 LYS CA . 18205 1
42 . 1 1 35 35 LYS CB C 13 33.892 0.125 . . . . . A 35 LYS CB . 18205 1
43 . 1 1 35 35 LYS CD C 13 27.128 0 . . . . . A 35 LYS CD . 18205 1
44 . 1 1 35 35 LYS CE C 13 39.892 0 . . . . . A 35 LYS CE . 18205 1
45 . 1 1 35 35 LYS N N 15 123.438 0.101 . . . . . A 35 LYS N . 18205 1
46 . 1 1 36 36 GLU CA C 13 53.582 0 . . . . . A 36 GLU CA . 18205 1
47 . 1 1 36 36 GLU N N 15 125.677 0.053 . . . . . A 36 GLU N . 18205 1
48 . 1 1 38 38 HIS CA C 13 53.922 0.124 . . . . . A 38 HIS CA . 18205 1
49 . 1 1 38 38 HIS CB C 13 28.061 0 . . . . . A 38 HIS CB . 18205 1
50 . 1 1 39 39 GLU CA C 13 52.726 0.063 . . . . . A 39 GLU CA . 18205 1
51 . 1 1 39 39 GLU CB C 13 30.445 0.04 . . . . . A 39 GLU CB . 18205 1
52 . 1 1 39 39 GLU N N 15 120.209 0.067 . . . . . A 39 GLU N . 18205 1
53 . 1 1 40 40 GLY CA C 13 41.51 0 . . . . . A 40 GLY CA . 18205 1
54 . 1 1 40 40 GLY N N 15 108.547 0.078 . . . . . A 40 GLY N . 18205 1
55 . 1 1 41 41 LEU CA C 13 55.039 0 . . . . . A 41 LEU CA . 18205 1
56 . 1 1 41 41 LEU CB C 13 41.972 0.03 . . . . . A 41 LEU CB . 18205 1
57 . 1 1 41 41 LEU CD1 C 13 23.268 0 . . . . . A 41 LEU CD1 . 18205 1
58 . 1 1 41 41 LEU CD2 C 13 24.509 0.04 . . . . . A 41 LEU CD2 . 18205 1
59 . 1 1 43 43 ILE CA C 13 56.373 0.134 . . . . . A 43 ILE CA . 18205 1
60 . 1 1 43 43 ILE CB C 13 40.222 0 . . . . . A 43 ILE CB . 18205 1
61 . 1 1 43 43 ILE CG2 C 13 16.358 0.102 . . . . . A 43 ILE CG2 . 18205 1
62 . 1 1 43 43 ILE CD1 C 13 11.2 0.122 . . . . . A 43 ILE CD1 . 18205 1
63 . 1 1 44 44 SER CA C 13 55.141 0.066 . . . . . A 44 SER CA . 18205 1
64 . 1 1 44 44 SER N N 15 117.527 0.087 . . . . . A 44 SER N . 18205 1
65 . 1 1 45 45 ILE CA C 13 56.487 0.06 . . . . . A 45 ILE CA . 18205 1
66 . 1 1 45 45 ILE CB C 13 40.757 0.031 . . . . . A 45 ILE CB . 18205 1
67 . 1 1 45 45 ILE CG2 C 13 17.02 0 . . . . . A 45 ILE CG2 . 18205 1
68 . 1 1 45 45 ILE CD1 C 13 12.419 0.313 . . . . . A 45 ILE CD1 . 18205 1
69 . 1 1 45 45 ILE N N 15 116.121 0.026 . . . . . A 45 ILE N . 18205 1
70 . 1 1 46 46 THR CA C 13 56.999 0.093 . . . . . A 46 THR CA . 18205 1
71 . 1 1 46 46 THR CB C 13 69.003 0.266 . . . . . A 46 THR CB . 18205 1
72 . 1 1 46 46 THR CG2 C 13 17.593 0 . . . . . A 46 THR CG2 . 18205 1
73 . 1 1 46 46 THR N N 15 115.974 0.007 . . . . . A 46 THR N . 18205 1
74 . 1 1 47 47 GLY CA C 13 42.89 0.093 . . . . . A 47 GLY CA . 18205 1
75 . 1 1 47 47 GLY N N 15 107.491 0.073 . . . . . A 47 GLY N . 18205 1
76 . 1 1 48 48 GLY CA C 13 41.819 0.06 . . . . . A 48 GLY CA . 18205 1
77 . 1 1 48 48 GLY N N 15 106.552 0.052 . . . . . A 48 GLY N . 18205 1
78 . 1 1 49 49 LYS CA C 13 57.163 0.073 . . . . . A 49 LYS CA . 18205 1
79 . 1 1 49 49 LYS CB C 13 31.166 0.187 . . . . . A 49 LYS CB . 18205 1
80 . 1 1 49 49 LYS CE C 13 40.005 0 . . . . . A 49 LYS CE . 18205 1
81 . 1 1 49 49 LYS N N 15 120.57 0.082 . . . . . A 49 LYS N . 18205 1
82 . 1 1 50 50 GLU CA C 13 56.742 0.221 . . . . . A 50 GLU CA . 18205 1
83 . 1 1 50 50 GLU CB C 13 25.707 0.108 . . . . . A 50 GLU CB . 18205 1
84 . 1 1 51 51 HIS CA C 13 53.198 0.089 . . . . . A 51 HIS CA . 18205 1
85 . 1 1 51 51 HIS CB C 13 30.349 0 . . . . . A 51 HIS CB . 18205 1
86 . 1 1 51 51 HIS N N 15 118.188 0.033 . . . . . A 51 HIS N . 18205 1
87 . 1 1 52 52 GLY CA C 13 43.849 0.066 . . . . . A 52 GLY CA . 18205 1
88 . 1 1 52 52 GLY N N 15 107.553 0.077 . . . . . A 52 GLY N . 18205 1
89 . 1 1 53 53 VAL CA C 13 56.056 0.116 . . . . . A 53 VAL CA . 18205 1
90 . 1 1 53 53 VAL CB C 13 32.061 0 . . . . . A 53 VAL CB . 18205 1
91 . 1 1 53 53 VAL CG1 C 13 17.2 0 . . . . . A 53 VAL CG1 . 18205 1
92 . 1 1 53 53 VAL CG2 C 13 19.719 0 . . . . . A 53 VAL CG2 . 18205 1
93 . 1 1 53 53 VAL N N 15 112.183 0.046 . . . . . A 53 VAL N . 18205 1
94 . 1 1 54 54 PRO CA C 13 59.991 0.023 . . . . . A 54 PRO CA . 18205 1
95 . 1 1 54 54 PRO CB C 13 30.505 0 . . . . . A 54 PRO CB . 18205 1
96 . 1 1 54 54 PRO CD C 13 48.685 0.103 . . . . . A 54 PRO CD . 18205 1
97 . 1 1 55 55 ILE CA C 13 56.84 0.081 . . . . . A 55 ILE CA . 18205 1
98 . 1 1 55 55 ILE CB C 13 32.341 0.186 . . . . . A 55 ILE CB . 18205 1
99 . 1 1 55 55 ILE CG2 C 13 16.793 0.03 . . . . . A 55 ILE CG2 . 18205 1
100 . 1 1 55 55 ILE CD1 C 13 7.101 0.064 . . . . . A 55 ILE CD1 . 18205 1
101 . 1 1 55 55 ILE N N 15 118.06 0.069 . . . . . A 55 ILE N . 18205 1
102 . 1 1 56 56 LEU CA C 13 50.633 0.164 . . . . . A 56 LEU CA . 18205 1
103 . 1 1 56 56 LEU CB C 13 43.818 0.078 . . . . . A 56 LEU CB . 18205 1
104 . 1 1 56 56 LEU CD1 C 13 22.055 0.038 . . . . . A 56 LEU CD1 . 18205 1
105 . 1 1 56 56 LEU CD2 C 13 23.709 0.034 . . . . . A 56 LEU CD2 . 18205 1
106 . 1 1 56 56 LEU N N 15 128.674 0.051 . . . . . A 56 LEU N . 18205 1
107 . 1 1 57 57 ILE CA C 13 60.895 0.061 . . . . . A 57 ILE CA . 18205 1
108 . 1 1 57 57 ILE CB C 13 34.806 0.012 . . . . . A 57 ILE CB . 18205 1
109 . 1 1 57 57 ILE CG2 C 13 16.002 0.009 . . . . . A 57 ILE CG2 . 18205 1
110 . 1 1 57 57 ILE CD1 C 13 11.871 0.002 . . . . . A 57 ILE CD1 . 18205 1
111 . 1 1 57 57 ILE N N 15 119.781 0.061 . . . . . A 57 ILE N . 18205 1
112 . 1 1 58 58 SER CA C 13 56.128 0.089 . . . . . A 58 SER CA . 18205 1
113 . 1 1 58 58 SER CB C 13 62.471 0.042 . . . . . A 58 SER CB . 18205 1
114 . 1 1 58 58 SER N N 15 125.216 0.092 . . . . . A 58 SER N . 18205 1
115 . 1 1 59 59 GLU CA C 13 54.405 0.194 . . . . . A 59 GLU CA . 18205 1
116 . 1 1 59 59 GLU CB C 13 32.308 0.102 . . . . . A 59 GLU CB . 18205 1
117 . 1 1 59 59 GLU CG C 13 34.14 0 . . . . . A 59 GLU CG . 18205 1
118 . 1 1 59 59 GLU N N 15 119.507 0.144 . . . . . A 59 GLU N . 18205 1
119 . 1 1 60 60 ILE CA C 13 56.995 0.054 . . . . . A 60 ILE CA . 18205 1
120 . 1 1 60 60 ILE CB C 13 36.345 0.01 . . . . . A 60 ILE CB . 18205 1
121 . 1 1 60 60 ILE CG2 C 13 15.058 0 . . . . . A 60 ILE CG2 . 18205 1
122 . 1 1 60 60 ILE CD1 C 13 10.645 0.082 . . . . . A 60 ILE CD1 . 18205 1
123 . 1 1 60 60 ILE N N 15 123.253 0.079 . . . . . A 60 ILE N . 18205 1
124 . 1 1 61 61 HIS CA C 13 51.619 0.001 . . . . . A 61 HIS CA . 18205 1
125 . 1 1 61 61 HIS CB C 13 28.154 0 . . . . . A 61 HIS CB . 18205 1
126 . 1 1 61 61 HIS N N 15 127.96 0.059 . . . . . A 61 HIS N . 18205 1
127 . 1 1 62 62 PRO CA C 13 61.825 0.112 . . . . . A 62 PRO CA . 18205 1
128 . 1 1 62 62 PRO CB C 13 29.757 0.013 . . . . . A 62 PRO CB . 18205 1
129 . 1 1 62 62 PRO CG C 13 25.68 0 . . . . . A 62 PRO CG . 18205 1
130 . 1 1 62 62 PRO CD C 13 49.523 0 . . . . . A 62 PRO CD . 18205 1
131 . 1 1 63 63 GLY CA C 13 43.396 0.123 . . . . . A 63 GLY CA . 18205 1
132 . 1 1 63 63 GLY N N 15 113 0.046 . . . . . A 63 GLY N . 18205 1
133 . 1 1 64 64 GLN CA C 13 53.359 0.109 . . . . . A 64 GLN CA . 18205 1
134 . 1 1 64 64 GLN N N 15 120.18 0.04 . . . . . A 64 GLN N . 18205 1
135 . 1 1 64 64 GLN NE2 N 15 112.379 0 . . . . . A 64 GLN NE2 . 18205 1
136 . 1 1 65 65 PRO CA C 13 66.193 0.127 . . . . . A 65 PRO CA . 18205 1
137 . 1 1 65 65 PRO CB C 13 29.663 0.098 . . . . . A 65 PRO CB . 18205 1
138 . 1 1 66 66 ALA CA C 13 53 0.321 . . . . . A 66 ALA CA . 18205 1
139 . 1 1 66 66 ALA CB C 13 16.724 0.054 . . . . . A 66 ALA CB . 18205 1
140 . 1 1 66 66 ALA N N 15 118.252 0.081 . . . . . A 66 ALA N . 18205 1
141 . 1 1 67 67 ASP CA C 13 54.295 0.189 . . . . . A 67 ASP CA . 18205 1
142 . 1 1 67 67 ASP CB C 13 40.741 0.129 . . . . . A 67 ASP CB . 18205 1
143 . 1 1 67 67 ASP N N 15 122.174 0.04 . . . . . A 67 ASP N . 18205 1
144 . 1 1 68 68 ARG CA C 13 57.101 0.034 . . . . . A 68 ARG CA . 18205 1
145 . 1 1 68 68 ARG CB C 13 28.636 0.241 . . . . . A 68 ARG CB . 18205 1
146 . 1 1 68 68 ARG N N 15 114.787 0.059 . . . . . A 68 ARG N . 18205 1
147 . 1 1 69 69 CYS CA C 13 57.52 0.088 . . . . . A 69 CYS CA . 18205 1
148 . 1 1 69 69 CYS CB C 13 25.385 0 . . . . . A 69 CYS CB . 18205 1
149 . 1 1 69 69 CYS N N 15 113.352 0.058 . . . . . A 69 CYS N . 18205 1
150 . 1 1 70 70 GLY CA C 13 44.152 0.141 . . . . . A 70 GLY CA . 18205 1
151 . 1 1 70 70 GLY N N 15 108.658 0.062 . . . . . A 70 GLY N . 18205 1
152 . 1 1 71 71 GLY CA C 13 42.611 0.037 . . . . . A 71 GLY CA . 18205 1
153 . 1 1 71 71 GLY N N 15 105.7 0.047 . . . . . A 71 GLY N . 18205 1
154 . 1 1 72 72 LEU CA C 13 50.572 0.125 . . . . . A 72 LEU CA . 18205 1
155 . 1 1 72 72 LEU CB C 13 43.132 0.134 . . . . . A 72 LEU CB . 18205 1
156 . 1 1 72 72 LEU CD1 C 13 21.993 0 . . . . . A 72 LEU CD1 . 18205 1
157 . 1 1 72 72 LEU CD2 C 13 23.339 0.146 . . . . . A 72 LEU CD2 . 18205 1
158 . 1 1 72 72 LEU N N 15 118.948 0.133 . . . . . A 72 LEU N . 18205 1
159 . 1 1 73 73 HIS CA C 13 52.157 0.035 . . . . . A 73 HIS CA . 18205 1
160 . 1 1 73 73 HIS CB C 13 30.667 0.038 . . . . . A 73 HIS CB . 18205 1
161 . 1 1 73 73 HIS N N 15 120.035 0.041 . . . . . A 73 HIS N . 18205 1
162 . 1 1 74 74 VAL CA C 13 63.204 0.075 . . . . . A 74 VAL CA . 18205 1
163 . 1 1 74 74 VAL CB C 13 28.886 0.052 . . . . . A 74 VAL CB . 18205 1
164 . 1 1 74 74 VAL CG1 C 13 20.741 0 . . . . . A 74 VAL CG1 . 18205 1
165 . 1 1 74 74 VAL CG2 C 13 18.977 0 . . . . . A 74 VAL CG2 . 18205 1
166 . 1 1 74 74 VAL N N 15 121.892 0.021 . . . . . A 74 VAL N . 18205 1
167 . 1 1 75 75 GLY CA C 13 42.4 0.14 . . . . . A 75 GLY CA . 18205 1
168 . 1 1 75 75 GLY N N 15 116.308 0.009 . . . . . A 75 GLY N . 18205 1
169 . 1 1 76 76 ASP CA C 13 53.443 0.023 . . . . . A 76 ASP CA . 18205 1
170 . 1 1 76 76 ASP CB C 13 39.744 0.071 . . . . . A 76 ASP CB . 18205 1
171 . 1 1 76 76 ASP N N 15 119.933 0.081 . . . . . A 76 ASP N . 18205 1
172 . 1 1 77 77 ALA CA C 13 47.525 0.022 . . . . . A 77 ALA CA . 18205 1
173 . 1 1 77 77 ALA CB C 13 17.679 0 . . . . . A 77 ALA CB . 18205 1
174 . 1 1 77 77 ALA N N 15 122.682 0.165 . . . . . A 77 ALA N . 18205 1
175 . 1 1 78 78 ILE CA C 13 58.888 0.049 . . . . . A 78 ILE CA . 18205 1
176 . 1 1 78 78 ILE CB C 13 35.712 0.163 . . . . . A 78 ILE CB . 18205 1
177 . 1 1 78 78 ILE CG2 C 13 17.872 0 . . . . . A 78 ILE CG2 . 18205 1
178 . 1 1 78 78 ILE CD1 C 13 13.519 0.166 . . . . . A 78 ILE CD1 . 18205 1
179 . 1 1 78 78 ILE N N 15 119.564 0.081 . . . . . A 78 ILE N . 18205 1
180 . 1 1 79 79 LEU CA C 13 53.417 0.08 . . . . . A 79 LEU CA . 18205 1
181 . 1 1 79 79 LEU CB C 13 39.43 0.062 . . . . . A 79 LEU CB . 18205 1
182 . 1 1 79 79 LEU N N 15 126.215 0.134 . . . . . A 79 LEU N . 18205 1
183 . 1 1 80 80 ALA CA C 13 49.619 0.088 . . . . . A 80 ALA CA . 18205 1
184 . 1 1 80 80 ALA CB C 13 20.198 0.062 . . . . . A 80 ALA CB . 18205 1
185 . 1 1 80 80 ALA N N 15 116.961 0.068 . . . . . A 80 ALA N . 18205 1
186 . 1 1 81 81 VAL CA C 13 56.15 0.077 . . . . . A 81 VAL CA . 18205 1
187 . 1 1 81 81 VAL CB C 13 32.135 0.018 . . . . . A 81 VAL CB . 18205 1
188 . 1 1 81 81 VAL CG1 C 13 20.165 0.01 . . . . . A 81 VAL CG1 . 18205 1
189 . 1 1 81 81 VAL CG2 C 13 18.052 0 . . . . . A 81 VAL CG2 . 18205 1
190 . 1 1 81 81 VAL N N 15 115.533 0.028 . . . . . A 81 VAL N . 18205 1
191 . 1 1 82 82 ASN CA C 13 51.274 0.083 . . . . . A 82 ASN CA . 18205 1
192 . 1 1 82 82 ASN CB C 13 35.078 0 . . . . . A 82 ASN CB . 18205 1
193 . 1 1 82 82 ASN N N 15 126.719 0.04 . . . . . A 82 ASN N . 18205 1
194 . 1 1 83 83 GLY CA C 13 43.097 0.039 . . . . . A 83 GLY CA . 18205 1
195 . 1 1 83 83 GLY N N 15 102.614 0.074 . . . . . A 83 GLY N . 18205 1
196 . 1 1 84 84 VAL CA C 13 60.305 0.139 . . . . . A 84 VAL CA . 18205 1
197 . 1 1 84 84 VAL CB C 13 28.838 0.073 . . . . . A 84 VAL CB . 18205 1
198 . 1 1 84 84 VAL N N 15 124.896 0.041 . . . . . A 84 VAL N . 18205 1
199 . 1 1 85 85 ASN CA C 13 51.954 0.046 . . . . . A 85 ASN CA . 18205 1
200 . 1 1 85 85 ASN CB C 13 36.594 0.064 . . . . . A 85 ASN CB . 18205 1
201 . 1 1 85 85 ASN N N 15 125.676 0.064 . . . . . A 85 ASN N . 18205 1
202 . 1 1 86 86 LEU CA C 13 51.655 0.065 . . . . . A 86 LEU CA . 18205 1
203 . 1 1 86 86 LEU CB C 13 41.02 0.108 . . . . . A 86 LEU CB . 18205 1
204 . 1 1 86 86 LEU CD1 C 13 23.902 0.044 . . . . . A 86 LEU CD1 . 18205 1
205 . 1 1 86 86 LEU N N 15 126.803 0.124 . . . . . A 86 LEU N . 18205 1
206 . 1 1 87 87 ARG CA C 13 56.596 0.038 . . . . . A 87 ARG CA . 18205 1
207 . 1 1 87 87 ARG N N 15 122.878 0.085 . . . . . A 87 ARG N . 18205 1
208 . 1 1 88 88 ASP CA C 13 51.537 0.087 . . . . . A 88 ASP CA . 18205 1
209 . 1 1 88 88 ASP CB C 13 39.076 0 . . . . . A 88 ASP CB . 18205 1
210 . 1 1 88 88 ASP N N 15 117.719 0 . . . . . A 88 ASP N . 18205 1
211 . 1 1 89 89 THR CA C 13 59.675 0.062 . . . . . A 89 THR CA . 18205 1
212 . 1 1 89 89 THR CB C 13 68.534 0 . . . . . A 89 THR CB . 18205 1
213 . 1 1 89 89 THR CG2 C 13 20.513 0 . . . . . A 89 THR CG2 . 18205 1
214 . 1 1 89 89 THR N N 15 110.895 0.093 . . . . . A 89 THR N . 18205 1
215 . 1 1 90 90 LYS CA C 13 54.57 0.086 . . . . . A 90 LYS CA . 18205 1
216 . 1 1 90 90 LYS CD C 13 27.124 0 . . . . . A 90 LYS CD . 18205 1
217 . 1 1 90 90 LYS N N 15 124.873 0.084 . . . . . A 90 LYS N . 18205 1
218 . 1 1 91 91 HIS CA C 13 60.761 0.1 . . . . . A 91 HIS CA . 18205 1
219 . 1 1 91 91 HIS CB C 13 28.36 0.028 . . . . . A 91 HIS CB . 18205 1
220 . 1 1 91 91 HIS N N 15 124.719 0.029 . . . . . A 91 HIS N . 18205 1
221 . 1 1 92 92 LYS CA C 13 57.157 0.026 . . . . . A 92 LYS CA . 18205 1
222 . 1 1 92 92 LYS CB C 13 29.783 0.13 . . . . . A 92 LYS CB . 18205 1
223 . 1 1 92 92 LYS CD C 13 26.983 0.108 . . . . . A 92 LYS CD . 18205 1
224 . 1 1 92 92 LYS CE C 13 39.876 0.081 . . . . . A 92 LYS CE . 18205 1
225 . 1 1 92 92 LYS N N 15 115.079 0.171 . . . . . A 92 LYS N . 18205 1
226 . 1 1 93 93 GLU CA C 13 56.419 0.018 . . . . . A 93 GLU CA . 18205 1
227 . 1 1 93 93 GLU CB C 13 27.474 0 . . . . . A 93 GLU CB . 18205 1
228 . 1 1 93 93 GLU N N 15 118.333 0.019 . . . . . A 93 GLU N . 18205 1
229 . 1 1 94 94 ALA CA C 13 53.239 0.169 . . . . . A 94 ALA CA . 18205 1
230 . 1 1 94 94 ALA CB C 13 16.104 0 . . . . . A 94 ALA CB . 18205 1
231 . 1 1 94 94 ALA N N 15 122.048 0.103 . . . . . A 94 ALA N . 18205 1
232 . 1 1 95 95 VAL CA C 13 64.981 0.101 . . . . . A 95 VAL CA . 18205 1
233 . 1 1 95 95 VAL CB C 13 29.339 0.021 . . . . . A 95 VAL CB . 18205 1
234 . 1 1 95 95 VAL CG1 C 13 18.972 0 . . . . . A 95 VAL CG1 . 18205 1
235 . 1 1 95 95 VAL CG2 C 13 21.112 0.149 . . . . . A 95 VAL CG2 . 18205 1
236 . 1 1 95 95 VAL N N 15 117.243 0.073 . . . . . A 95 VAL N . 18205 1
237 . 1 1 96 96 THR CA C 13 64.797 0.055 . . . . . A 96 THR CA . 18205 1
238 . 1 1 96 96 THR CB C 13 66.627 0.337 . . . . . A 96 THR CB . 18205 1
239 . 1 1 96 96 THR CG2 C 13 19.534 0 . . . . . A 96 THR CG2 . 18205 1
240 . 1 1 96 96 THR N N 15 117.301 0.118 . . . . . A 96 THR N . 18205 1
241 . 1 1 97 97 ILE CA C 13 63.24 0.027 . . . . . A 97 ILE CA . 18205 1
242 . 1 1 97 97 ILE CB C 13 36.45 0 . . . . . A 97 ILE CB . 18205 1
243 . 1 1 97 97 ILE CG2 C 13 15.357 0.074 . . . . . A 97 ILE CG2 . 18205 1
244 . 1 1 97 97 ILE CD1 C 13 10.85 0.287 . . . . . A 97 ILE CD1 . 18205 1
245 . 1 1 97 97 ILE N N 15 122.42 0.103 . . . . . A 97 ILE N . 18205 1
246 . 1 1 98 98 LEU CA C 13 56.789 0.032 . . . . . A 98 LEU CA . 18205 1
247 . 1 1 98 98 LEU CB C 13 39.013 0.064 . . . . . A 98 LEU CB . 18205 1
248 . 1 1 98 98 LEU CD1 C 13 23.874 0.026 . . . . . A 98 LEU CD1 . 18205 1
249 . 1 1 98 98 LEU CD2 C 13 23.874 0.026 . . . . . A 98 LEU CD2 . 18205 1
250 . 1 1 98 98 LEU N N 15 120.107 0.061 . . . . . A 98 LEU N . 18205 1
251 . 1 1 99 99 SER CA C 13 58.819 0.093 . . . . . A 99 SER CA . 18205 1
252 . 1 1 99 99 SER CB C 13 61.198 0 . . . . . A 99 SER CB . 18205 1
253 . 1 1 99 99 SER N N 15 112.88 0.067 . . . . . A 99 SER N . 18205 1
254 . 1 1 100 100 GLN CA C 13 53.348 0.127 . . . . . A 100 GLN CA . 18205 1
255 . 1 1 100 100 GLN CB C 13 27.032 0.044 . . . . . A 100 GLN CB . 18205 1
256 . 1 1 100 100 GLN N N 15 117.981 0.066 . . . . . A 100 GLN N . 18205 1
257 . 1 1 101 101 GLN CA C 13 52.015 0.218 . . . . . A 101 GLN CA . 18205 1
258 . 1 1 101 101 GLN CB C 13 25.793 0 . . . . . A 101 GLN CB . 18205 1
259 . 1 1 101 101 GLN N N 15 115.893 0.066 . . . . . A 101 GLN N . 18205 1
260 . 1 1 101 101 GLN NE2 N 15 114.393 0.026 . . . . . A 101 GLN NE2 . 18205 1
261 . 1 1 102 102 ARG CA C 13 52.901 0.041 . . . . . A 102 ARG CA . 18205 1
262 . 1 1 102 102 ARG CB C 13 31.633 0.043 . . . . . A 102 ARG CB . 18205 1
263 . 1 1 102 102 ARG N N 15 121.538 0.095 . . . . . A 102 ARG N . 18205 1
264 . 1 1 103 103 GLY CA C 13 44.295 0.013 . . . . . A 103 GLY CA . 18205 1
265 . 1 1 103 103 GLY N N 15 109.723 0.026 . . . . . A 103 GLY N . 18205 1
266 . 1 1 104 104 GLU CA C 13 53.839 0.053 . . . . . A 104 GLU CA . 18205 1
267 . 1 1 104 104 GLU CB C 13 27.639 0 . . . . . A 104 GLU CB . 18205 1
268 . 1 1 104 104 GLU N N 15 125.678 0.08 . . . . . A 104 GLU N . 18205 1
269 . 1 1 105 105 ILE CA C 13 58.409 0.08 . . . . . A 105 ILE CA . 18205 1
270 . 1 1 105 105 ILE CB C 13 38.443 0.054 . . . . . A 105 ILE CB . 18205 1
271 . 1 1 105 105 ILE CG1 C 13 22.3 0 . . . . . A 105 ILE CG1 . 18205 1
272 . 1 1 105 105 ILE CG2 C 13 17.25 0.13 . . . . . A 105 ILE CG2 . 18205 1
273 . 1 1 105 105 ILE CD1 C 13 11.5 0 . . . . . A 105 ILE CD1 . 18205 1
274 . 1 1 105 105 ILE N N 15 128.616 0.151 . . . . . A 105 ILE N . 18205 1
275 . 1 1 106 106 GLU CA C 13 52.656 0.052 . . . . . A 106 GLU CA . 18205 1
276 . 1 1 106 106 GLU CB C 13 30.054 0.005 . . . . . A 106 GLU CB . 18205 1
277 . 1 1 106 106 GLU N N 15 126.992 0.136 . . . . . A 106 GLU N . 18205 1
278 . 1 1 107 107 PHE CA C 13 54.576 0.142 . . . . . A 107 PHE CA . 18205 1
279 . 1 1 107 107 PHE CB C 13 40.088 0.093 . . . . . A 107 PHE CB . 18205 1
280 . 1 1 107 107 PHE N N 15 127.766 0.057 . . . . . A 107 PHE N . 18205 1
281 . 1 1 108 108 GLU CA C 13 53.586 0.06 . . . . . A 108 GLU CA . 18205 1
282 . 1 1 108 108 GLU CB C 13 29.43 0 . . . . . A 108 GLU CB . 18205 1
283 . 1 1 108 108 GLU N N 15 122.925 0.066 . . . . . A 108 GLU N . 18205 1
284 . 1 1 109 109 VAL CA C 13 55.905 0.039 . . . . . A 109 VAL CA . 18205 1
285 . 1 1 109 109 VAL CB C 13 34.864 0.016 . . . . . A 109 VAL CB . 18205 1
286 . 1 1 109 109 VAL CG1 C 13 16.216 0.192 . . . . . A 109 VAL CG1 . 18205 1
287 . 1 1 109 109 VAL CG2 C 13 20.677 0 . . . . . A 109 VAL CG2 . 18205 1
288 . 1 1 109 109 VAL N N 15 117.483 0.051 . . . . . A 109 VAL N . 18205 1
289 . 1 1 110 110 VAL CA C 13 57.952 0.059 . . . . . A 110 VAL CA . 18205 1
290 . 1 1 110 110 VAL CB C 13 33.326 0.125 . . . . . A 110 VAL CB . 18205 1
291 . 1 1 110 110 VAL CG1 C 13 17.816 0.074 . . . . . A 110 VAL CG1 . 18205 1
292 . 1 1 110 110 VAL CG2 C 13 19.123 0 . . . . . A 110 VAL CG2 . 18205 1
293 . 1 1 110 110 VAL N N 15 116.769 0.019 . . . . . A 110 VAL N . 18205 1
294 . 1 1 111 111 TYR CA C 13 56.831 0.098 . . . . . A 111 TYR CA . 18205 1
295 . 1 1 111 111 TYR CB C 13 36.472 0 . . . . . A 111 TYR CB . 18205 1
296 . 1 1 111 111 TYR N N 15 129.843 0.067 . . . . . A 111 TYR N . 18205 1
297 . 1 1 112 112 VAL CA C 13 61.759 0.001 . . . . . A 112 VAL CA . 18205 1
298 . 1 1 112 112 VAL CB C 13 30.848 0.103 . . . . . A 112 VAL CB . 18205 1
299 . 1 1 112 112 VAL CG1 C 13 19.565 0 . . . . . A 112 VAL CG1 . 18205 1
300 . 1 1 112 112 VAL CG2 C 13 20.181 0 . . . . . A 112 VAL CG2 . 18205 1
301 . 1 1 112 112 VAL N N 15 128.619 0.049 . . . . . A 112 VAL N . 18205 1
stop_
save_