###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7140
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 isotropic 7140 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 5 5 LEU CA C 13 56.817 0.2 . 1 . . . . 77 LEU CA . 7140 1
2 . 1 1 5 5 LEU CB C 13 41.786 0.2 . 1 . . . . 77 LEU CB . 7140 1
3 . 1 1 6 6 SER H H 1 7.940 0.02 . 1 . . . . 78 SER H . 7140 1
4 . 1 1 6 6 SER CA C 13 59.537 0.2 . 1 . . . . 78 SER CA . 7140 1
5 . 1 1 6 6 SER CB C 13 63.151 0.2 . 1 . . . . 78 SER CB . 7140 1
6 . 1 1 6 6 SER N N 15 112.623 0.1 . 1 . . . . 78 SER N . 7140 1
7 . 1 1 7 7 LEU H H 1 7.674 0.02 . 1 . . . . 79 LEU H . 7140 1
8 . 1 1 7 7 LEU CA C 13 54.904 0.2 . 1 . . . . 79 LEU CA . 7140 1
9 . 1 1 7 7 LEU CB C 13 42.300 0.2 . 1 . . . . 79 LEU CB . 7140 1
10 . 1 1 7 7 LEU N N 15 121.142 0.1 . 1 . . . . 79 LEU N . 7140 1
11 . 1 1 8 8 MET H H 1 7.810 0.02 . 1 . . . . 80 MET H . 7140 1
12 . 1 1 8 8 MET CA C 13 51.584 0.2 . 1 . . . . 80 MET CA . 7140 1
13 . 1 1 8 8 MET N N 15 118.326 0.1 . 1 . . . . 80 MET N . 7140 1
14 . 1 1 9 9 PRO CA C 13 64.837 0.2 . 1 . . . . 81 PRO CA . 7140 1
15 . 1 1 9 9 PRO CB C 13 32.101 0.2 . 1 . . . . 81 PRO CB . 7140 1
16 . 1 1 10 10 TRP H H 1 5.721 0.02 . 1 . . . . 82 TRP H . 7140 1
17 . 1 1 10 10 TRP CA C 13 52.915 0.2 . 1 . . . . 82 TRP CA . 7140 1
18 . 1 1 10 10 TRP CB C 13 30.498 0.2 . 1 . . . . 82 TRP CB . 7140 1
19 . 1 1 10 10 TRP N N 15 107.491 0.1 . 1 . . . . 82 TRP N . 7140 1
20 . 1 1 11 11 PHE H H 1 7.758 0.02 . 1 . . . . 83 PHE H . 7140 1
21 . 1 1 11 11 PHE CA C 13 58.023 0.2 . 1 . . . . 83 PHE CA . 7140 1
22 . 1 1 11 11 PHE CB C 13 39.134 0.2 . 1 . . . . 83 PHE CB . 7140 1
23 . 1 1 11 11 PHE N N 15 124.153 0.1 . 1 . . . . 83 PHE N . 7140 1
24 . 1 1 12 12 HIS H H 1 8.664 0.02 . 1 . . . . 84 HIS H . 7140 1
25 . 1 1 12 12 HIS CA C 13 56.740 0.2 . 1 . . . . 84 HIS CA . 7140 1
26 . 1 1 12 12 HIS CB C 13 33.356 0.2 . 1 . . . . 84 HIS CB . 7140 1
27 . 1 1 12 12 HIS N N 15 126.130 0.1 . 1 . . . . 84 HIS N . 7140 1
28 . 1 1 13 13 GLY H H 1 5.187 0.02 . 1 . . . . 85 GLY H . 7140 1
29 . 1 1 13 13 GLY CA C 13 46.667 0.2 . 1 . . . . 85 GLY CA . 7140 1
30 . 1 1 13 13 GLY N N 15 102.990 0.1 . 1 . . . . 85 GLY N . 7140 1
31 . 1 1 14 14 LYS H H 1 8.539 0.02 . 1 . . . . 86 LYS H . 7140 1
32 . 1 1 14 14 LYS CA C 13 56.170 0.2 . 1 . . . . 86 LYS CA . 7140 1
33 . 1 1 14 14 LYS CB C 13 31.139 0.2 . 1 . . . . 86 LYS CB . 7140 1
34 . 1 1 14 14 LYS N N 15 125.391 0.1 . 1 . . . . 86 LYS N . 7140 1
35 . 1 1 15 15 ILE H H 1 7.690 0.02 . 1 . . . . 87 ILE H . 7140 1
36 . 1 1 15 15 ILE CA C 13 59.671 0.2 . 1 . . . . 87 ILE CA . 7140 1
37 . 1 1 15 15 ILE CB C 13 41.489 0.2 . 1 . . . . 87 ILE CB . 7140 1
38 . 1 1 15 15 ILE N N 15 118.767 0.1 . 1 . . . . 87 ILE N . 7140 1
39 . 1 1 16 16 THR H H 1 8.843 0.02 . 1 . . . . 88 THR H . 7140 1
40 . 1 1 16 16 THR CA C 13 61.186 0.2 . 1 . . . . 88 THR CA . 7140 1
41 . 1 1 16 16 THR CB C 13 71.860 0.2 . 1 . . . . 88 THR CB . 7140 1
42 . 1 1 16 16 THR N N 15 113.540 0.1 . 1 . . . . 88 THR N . 7140 1
43 . 1 1 17 17 ARG H H 1 8.914 0.02 . 1 . . . . 89 ARG H . 7140 1
44 . 1 1 17 17 ARG CA C 13 60.337 0.2 . 1 . . . . 89 ARG CA . 7140 1
45 . 1 1 17 17 ARG CB C 13 30.146 0.2 . 1 . . . . 89 ARG CB . 7140 1
46 . 1 1 17 17 ARG N N 15 121.604 0.1 . 1 . . . . 89 ARG N . 7140 1
47 . 1 1 18 18 GLU H H 1 8.742 0.02 . 1 . . . . 90 GLU H . 7140 1
48 . 1 1 18 18 GLU CA C 13 60.452 0.2 . 1 . . . . 90 GLU CA . 7140 1
49 . 1 1 18 18 GLU CB C 13 28.998 0.2 . 1 . . . . 90 GLU CB . 7140 1
50 . 1 1 18 18 GLU N N 15 117.210 0.1 . 1 . . . . 90 GLU N . 7140 1
51 . 1 1 19 19 GLN H H 1 7.966 0.02 . 1 . . . . 91 GLN H . 7140 1
52 . 1 1 19 19 GLN CA C 13 58.874 0.2 . 1 . . . . 91 GLN CA . 7140 1
53 . 1 1 19 19 GLN CB C 13 28.889 0.2 . 1 . . . . 91 GLN CB . 7140 1
54 . 1 1 19 19 GLN N N 15 119.984 0.1 . 1 . . . . 91 GLN N . 7140 1
55 . 1 1 20 20 ALA H H 1 8.283 0.02 . 1 . . . . 92 ALA H . 7140 1
56 . 1 1 20 20 ALA CA C 13 55.357 0.2 . 1 . . . . 92 ALA CA . 7140 1
57 . 1 1 20 20 ALA CB C 13 19.441 0.2 . 1 . . . . 92 ALA CB . 7140 1
58 . 1 1 20 20 ALA N N 15 121.168 0.1 . 1 . . . . 92 ALA N . 7140 1
59 . 1 1 21 21 GLU H H 1 8.032 0.02 . 1 . . . . 93 GLU H . 7140 1
60 . 1 1 21 21 GLU CA C 13 60.629 0.2 . 1 . . . . 93 GLU CA . 7140 1
61 . 1 1 21 21 GLU CB C 13 28.485 0.2 . 1 . . . . 93 GLU CB . 7140 1
62 . 1 1 21 21 GLU N N 15 113.823 0.1 . 1 . . . . 93 GLU N . 7140 1
63 . 1 1 22 22 ARG H H 1 7.555 0.02 . 1 . . . . 94 ARG H . 7140 1
64 . 1 1 22 22 ARG CA C 13 58.449 0.2 . 1 . . . . 94 ARG CA . 7140 1
65 . 1 1 22 22 ARG CB C 13 30.056 0.2 . 1 . . . . 94 ARG CB . 7140 1
66 . 1 1 22 22 ARG N N 15 117.594 0.1 . 1 . . . . 94 ARG N . 7140 1
67 . 1 1 23 23 LEU H H 1 7.633 0.02 . 1 . . . . 95 LEU H . 7140 1
68 . 1 1 23 23 LEU CA C 13 56.832 0.2 . 1 . . . . 95 LEU CA . 7140 1
69 . 1 1 23 23 LEU CB C 13 43.078 0.2 . 1 . . . . 95 LEU CB . 7140 1
70 . 1 1 23 23 LEU N N 15 118.634 0.1 . 1 . . . . 95 LEU N . 7140 1
71 . 1 1 24 24 LEU H H 1 7.103 0.02 . 1 . . . . 96 LEU H . 7140 1
72 . 1 1 24 24 LEU CA C 13 52.696 0.2 . 1 . . . . 96 LEU CA . 7140 1
73 . 1 1 24 24 LEU CB C 13 39.775 0.2 . 1 . . . . 96 LEU CB . 7140 1
74 . 1 1 24 24 LEU N N 15 120.454 0.1 . 1 . . . . 96 LEU N . 7140 1
75 . 1 1 25 25 TYR H H 1 7.334 0.02 . 1 . . . . 97 TYR H . 7140 1
76 . 1 1 25 25 TYR CA C 13 56.171 0.2 . 1 . . . . 97 TYR CA . 7140 1
77 . 1 1 25 25 TYR CB C 13 42.152 0.2 . 1 . . . . 97 TYR CB . 7140 1
78 . 1 1 25 25 TYR N N 15 120.134 0.1 . 1 . . . . 97 TYR N . 7140 1
79 . 1 1 27 27 PRO CA C 13 63.657 0.2 . 1 . . . . 99 PRO CA . 7140 1
80 . 1 1 27 27 PRO CB C 13 31.945 0.2 . 1 . . . . 99 PRO CB . 7140 1
81 . 1 1 28 28 GLU H H 1 7.210 0.02 . 1 . . . . 100 GLU H . 7140 1
82 . 1 1 28 28 GLU CA C 13 56.002 0.2 . 1 . . . . 100 GLU CA . 7140 1
83 . 1 1 28 28 GLU CB C 13 32.219 0.2 . 1 . . . . 100 GLU CB . 7140 1
84 . 1 1 28 28 GLU N N 15 122.645 0.1 . 1 . . . . 100 GLU N . 7140 1
85 . 1 1 29 29 THR H H 1 8.715 0.02 . 1 . . . . 101 THR H . 7140 1
86 . 1 1 29 29 THR CA C 13 65.533 0.2 . 1 . . . . 101 THR CA . 7140 1
87 . 1 1 29 29 THR CB C 13 68.940 0.2 . 1 . . . . 101 THR CB . 7140 1
88 . 1 1 29 29 THR N N 15 124.095 0.1 . 1 . . . . 101 THR N . 7140 1
89 . 1 1 30 30 GLY H H 1 9.294 0.02 . 1 . . . . 102 GLY H . 7140 1
90 . 1 1 30 30 GLY CA C 13 45.743 0.2 . 1 . . . . 102 GLY CA . 7140 1
91 . 1 1 30 30 GLY N N 15 114.119 0.1 . 1 . . . . 102 GLY N . 7140 1
92 . 1 1 31 31 LEU H H 1 8.130 0.02 . 1 . . . . 103 LEU H . 7140 1
93 . 1 1 31 31 LEU CA C 13 54.881 0.2 . 1 . . . . 103 LEU CA . 7140 1
94 . 1 1 31 31 LEU CB C 13 44.608 0.2 . 1 . . . . 103 LEU CB . 7140 1
95 . 1 1 31 31 LEU N N 15 126.978 0.1 . 1 . . . . 103 LEU N . 7140 1
96 . 1 1 32 32 PHE H H 1 8.333 0.02 . 1 . . . . 104 PHE H . 7140 1
97 . 1 1 32 32 PHE CA C 13 56.060 0.2 . 1 . . . . 104 PHE CA . 7140 1
98 . 1 1 32 32 PHE N N 15 122.656 0.1 . 1 . . . . 104 PHE N . 7140 1
99 . 1 1 33 33 LEU H H 1 9.168 0.02 . 1 . . . . 105 LEU H . 7140 1
100 . 1 1 33 33 LEU CA C 13 54.724 0.2 . 1 . . . . 105 LEU CA . 7140 1
101 . 1 1 33 33 LEU CB C 13 45.054 0.2 . 1 . . . . 105 LEU CB . 7140 1
102 . 1 1 33 33 LEU N N 15 113.722 0.1 . 1 . . . . 105 LEU N . 7140 1
103 . 1 1 34 34 VAL H H 1 9.412 0.02 . 1 . . . . 106 VAL H . 7140 1
104 . 1 1 34 34 VAL CA C 13 61.471 0.2 . 1 . . . . 106 VAL CA . 7140 1
105 . 1 1 34 34 VAL CB C 13 35.252 0.2 . 1 . . . . 106 VAL CB . 7140 1
106 . 1 1 34 34 VAL N N 15 119.632 0.1 . 1 . . . . 106 VAL N . 7140 1
107 . 1 1 35 35 ARG H H 1 9.204 0.02 . 1 . . . . 107 ARG H . 7140 1
108 . 1 1 35 35 ARG CA C 13 52.583 0.2 . 1 . . . . 107 ARG CA . 7140 1
109 . 1 1 35 35 ARG CB C 13 34.736 0.2 . 1 . . . . 107 ARG CB . 7140 1
110 . 1 1 35 35 ARG N N 15 123.246 0.1 . 1 . . . . 107 ARG N . 7140 1
111 . 1 1 36 36 GLU H H 1 8.634 0.02 . 1 . . . . 108 GLU H . 7140 1
112 . 1 1 36 36 GLU CA C 13 54.685 0.2 . 1 . . . . 108 GLU CA . 7140 1
113 . 1 1 36 36 GLU CB C 13 33.260 0.2 . 1 . . . . 108 GLU CB . 7140 1
114 . 1 1 36 36 GLU N N 15 123.623 0.1 . 1 . . . . 108 GLU N . 7140 1
115 . 1 1 37 37 SER H H 1 8.200 0.02 . 1 . . . . 109 SER H . 7140 1
116 . 1 1 37 37 SER CA C 13 58.426 0.2 . 1 . . . . 109 SER CA . 7140 1
117 . 1 1 37 37 SER CB C 13 63.935 0.2 . 1 . . . . 109 SER CB . 7140 1
118 . 1 1 37 37 SER N N 15 116.926 0.1 . 1 . . . . 109 SER N . 7140 1
119 . 1 1 41 41 PRO CA C 13 63.633 0.2 . 1 . . . . 113 PRO CA . 7140 1
120 . 1 1 41 41 PRO CB C 13 31.683 0.2 . 1 . . . . 113 PRO CB . 7140 1
121 . 1 1 42 42 GLY H H 1 9.853 0.02 . 1 . . . . 114 GLY H . 7140 1
122 . 1 1 42 42 GLY CA C 13 44.890 0.2 . 1 . . . . 114 GLY CA . 7140 1
123 . 1 1 42 42 GLY N N 15 113.485 0.1 . 1 . . . . 114 GLY N . 7140 1
124 . 1 1 43 43 ASP H H 1 7.493 0.02 . 1 . . . . 115 ASP H . 7140 1
125 . 1 1 43 43 ASP CA C 13 52.960 0.2 . 1 . . . . 115 ASP CA . 7140 1
126 . 1 1 43 43 ASP CB C 13 41.536 0.2 . 1 . . . . 115 ASP CB . 7140 1
127 . 1 1 43 43 ASP N N 15 119.388 0.1 . 1 . . . . 115 ASP N . 7140 1
128 . 1 1 44 44 TYR H H 1 9.221 0.02 . 1 . . . . 116 TYR H . 7140 1
129 . 1 1 44 44 TYR CA C 13 56.683 0.2 . 1 . . . . 116 TYR CA . 7140 1
130 . 1 1 44 44 TYR CB C 13 42.186 0.2 . 1 . . . . 116 TYR CB . 7140 1
131 . 1 1 44 44 TYR N N 15 124.929 0.1 . 1 . . . . 116 TYR N . 7140 1
132 . 1 1 45 45 THR H H 1 9.178 0.02 . 1 . . . . 117 THR H . 7140 1
133 . 1 1 45 45 THR CA C 13 62.626 0.2 . 1 . . . . 117 THR CA . 7140 1
134 . 1 1 45 45 THR CB C 13 72.536 0.2 . 1 . . . . 117 THR CB . 7140 1
135 . 1 1 45 45 THR N N 15 116.414 0.1 . 1 . . . . 117 THR N . 7140 1
136 . 1 1 46 46 LEU H H 1 9.246 0.02 . 1 . . . . 118 LEU H . 7140 1
137 . 1 1 46 46 LEU CA C 13 54.122 0.2 . 1 . . . . 118 LEU CA . 7140 1
138 . 1 1 46 46 LEU CB C 13 44.316 0.2 . 1 . . . . 118 LEU CB . 7140 1
139 . 1 1 46 46 LEU N N 15 128.928 0.1 . 1 . . . . 118 LEU N . 7140 1
140 . 1 1 47 47 CYS H H 1 9.313 0.02 . 1 . . . . 119 CYS H . 7140 1
141 . 1 1 47 47 CYS CA C 13 57.064 0.2 . 1 . . . . 119 CYS CA . 7140 1
142 . 1 1 47 47 CYS N N 15 128.242 0.1 . 1 . . . . 119 CYS N . 7140 1
143 . 1 1 48 48 VAL H H 1 8.890 0.02 . 1 . . . . 120 VAL H . 7140 1
144 . 1 1 48 48 VAL CA C 13 59.354 0.2 . 1 . . . . 120 VAL CA . 7140 1
145 . 1 1 48 48 VAL CB C 13 36.068 0.2 . 1 . . . . 120 VAL CB . 7140 1
146 . 1 1 48 48 VAL N N 15 121.567 0.1 . 1 . . . . 120 VAL N . 7140 1
147 . 1 1 49 49 SER H H 1 8.933 0.02 . 1 . . . . 121 SER H . 7140 1
148 . 1 1 49 49 SER CA C 13 57.349 0.2 . 1 . . . . 121 SER CA . 7140 1
149 . 1 1 49 49 SER N N 15 121.308 0.1 . 1 . . . . 121 SER N . 7140 1
150 . 1 1 50 50 CYS H H 1 9.421 0.02 . 1 . . . . 122 CYS H . 7140 1
151 . 1 1 50 50 CYS CA C 13 60.800 0.2 . 1 . . . . 122 CYS CA . 7140 1
152 . 1 1 50 50 CYS CB C 13 29.218 0.2 . 1 . . . . 122 CYS CB . 7140 1
153 . 1 1 50 50 CYS N N 15 129.256 0.1 . 1 . . . . 122 CYS N . 7140 1
154 . 1 1 51 51 ASP H H 1 8.965 0.02 . 1 . . . . 123 ASP H . 7140 1
155 . 1 1 51 51 ASP CA C 13 55.962 0.2 . 1 . . . . 123 ASP CA . 7140 1
156 . 1 1 51 51 ASP CB C 13 39.969 0.2 . 1 . . . . 123 ASP CB . 7140 1
157 . 1 1 51 51 ASP N N 15 129.908 0.1 . 1 . . . . 123 ASP N . 7140 1
158 . 1 1 52 52 GLY H H 1 9.126 0.02 . 1 . . . . 124 GLY H . 7140 1
159 . 1 1 52 52 GLY CA C 13 45.497 0.2 . 1 . . . . 124 GLY CA . 7140 1
160 . 1 1 52 52 GLY N N 15 103.971 0.1 . 1 . . . . 124 GLY N . 7140 1
161 . 1 1 53 53 LYS H H 1 7.873 0.02 . 1 . . . . 125 LYS H . 7140 1
162 . 1 1 53 53 LYS CA C 13 54.294 0.2 . 1 . . . . 125 LYS CA . 7140 1
163 . 1 1 53 53 LYS CB C 13 35.248 0.2 . 1 . . . . 125 LYS CB . 7140 1
164 . 1 1 53 53 LYS N N 15 120.817 0.1 . 1 . . . . 125 LYS N . 7140 1
165 . 1 1 54 54 VAL H H 1 8.319 0.02 . 1 . . . . 126 VAL H . 7140 1
166 . 1 1 54 54 VAL CA C 13 62.072 0.2 . 1 . . . . 126 VAL CA . 7140 1
167 . 1 1 54 54 VAL CB C 13 33.009 0.2 . 1 . . . . 126 VAL CB . 7140 1
168 . 1 1 54 54 VAL N N 15 120.152 0.1 . 1 . . . . 126 VAL N . 7140 1
169 . 1 1 55 55 GLU H H 1 8.992 0.02 . 1 . . . . 127 GLU H . 7140 1
170 . 1 1 55 55 GLU CA C 13 54.104 0.2 . 1 . . . . 127 GLU CA . 7140 1
171 . 1 1 55 55 GLU CB C 13 31.405 0.2 . 1 . . . . 127 GLU CB . 7140 1
172 . 1 1 55 55 GLU N N 15 127.996 0.1 . 1 . . . . 127 GLU N . 7140 1
173 . 1 1 56 56 HIS H H 1 8.292 0.02 . 1 . . . . 128 HIS H . 7140 1
174 . 1 1 56 56 HIS CA C 13 55.055 0.2 . 1 . . . . 128 HIS CA . 7140 1
175 . 1 1 56 56 HIS CB C 13 33.059 0.2 . 1 . . . . 128 HIS CB . 7140 1
176 . 1 1 56 56 HIS N N 15 122.091 0.1 . 1 . . . . 128 HIS N . 7140 1
177 . 1 1 57 57 TYR H H 1 9.700 0.02 . 1 . . . . 129 TYR H . 7140 1
178 . 1 1 57 57 TYR CA C 13 57.123 0.2 . 1 . . . . 129 TYR CA . 7140 1
179 . 1 1 57 57 TYR CB C 13 39.719 0.2 . 1 . . . . 129 TYR CB . 7140 1
180 . 1 1 57 57 TYR N N 15 123.995 0.1 . 1 . . . . 129 TYR N . 7140 1
181 . 1 1 58 58 ARG H H 1 8.841 0.02 . 1 . . . . 130 ARG H . 7140 1
182 . 1 1 58 58 ARG CA C 13 57.373 0.2 . 1 . . . . 130 ARG CA . 7140 1
183 . 1 1 58 58 ARG CB C 13 30.705 0.2 . 1 . . . . 130 ARG CB . 7140 1
184 . 1 1 58 58 ARG N N 15 126.974 0.1 . 1 . . . . 130 ARG N . 7140 1
185 . 1 1 59 59 ILE H H 1 8.662 0.02 . 1 . . . . 131 ILE H . 7140 1
186 . 1 1 59 59 ILE CA C 13 61.261 0.2 . 1 . . . . 131 ILE CA . 7140 1
187 . 1 1 59 59 ILE CB C 13 37.518 0.2 . 1 . . . . 131 ILE CB . 7140 1
188 . 1 1 59 59 ILE N N 15 127.070 0.1 . 1 . . . . 131 ILE N . 7140 1
189 . 1 1 60 60 MET H H 1 9.082 0.02 . 1 . . . . 132 MET H . 7140 1
190 . 1 1 60 60 MET CA C 13 54.708 0.2 . 1 . . . . 132 MET CA . 7140 1
191 . 1 1 60 60 MET CB C 13 33.988 0.2 . 1 . . . . 132 MET CB . 7140 1
192 . 1 1 60 60 MET N N 15 128.339 0.1 . 1 . . . . 132 MET N . 7140 1
193 . 1 1 61 61 TYR H H 1 8.668 0.02 . 1 . . . . 133 TYR H . 7140 1
194 . 1 1 61 61 TYR CA C 13 56.657 0.2 . 1 . . . . 133 TYR CA . 7140 1
195 . 1 1 61 61 TYR CB C 13 40.694 0.2 . 1 . . . . 133 TYR CB . 7140 1
196 . 1 1 61 61 TYR N N 15 120.834 0.1 . 1 . . . . 133 TYR N . 7140 1
197 . 1 1 62 62 HIS H H 1 8.963 0.02 . 1 . . . . 134 HIS H . 7140 1
198 . 1 1 62 62 HIS CA C 13 56.618 0.2 . 1 . . . . 134 HIS CA . 7140 1
199 . 1 1 62 62 HIS CB C 13 31.981 0.2 . 1 . . . . 134 HIS CB . 7140 1
200 . 1 1 62 62 HIS N N 15 123.966 0.1 . 1 . . . . 134 HIS N . 7140 1
201 . 1 1 63 63 ALA CA C 13 53.446 0.2 . 1 . . . . 135 ALA CA . 7140 1
202 . 1 1 63 63 ALA CB C 13 16.506 0.2 . 1 . . . . 135 ALA CB . 7140 1
203 . 1 1 64 64 SER H H 1 8.071 0.02 . 1 . . . . 136 SER H . 7140 1
204 . 1 1 64 64 SER CA C 13 60.531 0.2 . 1 . . . . 136 SER CA . 7140 1
205 . 1 1 64 64 SER CB C 13 62.932 0.2 . 1 . . . . 136 SER CB . 7140 1
206 . 1 1 64 64 SER N N 15 108.167 0.1 . 1 . . . . 136 SER N . 7140 1
207 . 1 1 65 65 LYS H H 1 8.029 0.02 . 1 . . . . 137 LYS H . 7140 1
208 . 1 1 65 65 LYS CA C 13 55.299 0.2 . 1 . . . . 137 LYS CA . 7140 1
209 . 1 1 65 65 LYS CB C 13 36.555 0.2 . 1 . . . . 137 LYS CB . 7140 1
210 . 1 1 65 65 LYS N N 15 121.355 0.1 . 1 . . . . 137 LYS N . 7140 1
211 . 1 1 66 66 LEU H H 1 9.035 0.02 . 1 . . . . 138 LEU H . 7140 1
212 . 1 1 66 66 LEU CA C 13 54.055 0.2 . 1 . . . . 138 LEU CA . 7140 1
213 . 1 1 66 66 LEU CB C 13 45.976 0.2 . 1 . . . . 138 LEU CB . 7140 1
214 . 1 1 66 66 LEU N N 15 118.932 0.1 . 1 . . . . 138 LEU N . 7140 1
215 . 1 1 67 67 SER H H 1 8.808 0.02 . 1 . . . . 139 SER H . 7140 1
216 . 1 1 67 67 SER CA C 13 58.596 0.2 . 1 . . . . 139 SER CA . 7140 1
217 . 1 1 67 67 SER N N 15 112.296 0.1 . 1 . . . . 139 SER N . 7140 1
218 . 1 1 68 68 ILE H H 1 9.810 0.02 . 1 . . . . 140 ILE H . 7140 1
219 . 1 1 68 68 ILE CA C 13 62.867 0.2 . 1 . . . . 140 ILE CA . 7140 1
220 . 1 1 68 68 ILE CB C 13 39.781 0.2 . 1 . . . . 140 ILE CB . 7140 1
221 . 1 1 68 68 ILE N N 15 124.245 0.1 . 1 . . . . 140 ILE N . 7140 1
222 . 1 1 69 69 ASP H H 1 8.175 0.02 . 1 . . . . 141 ASP H . 7140 1
223 . 1 1 69 69 ASP CA C 13 53.459 0.2 . 1 . . . . 141 ASP CA . 7140 1
224 . 1 1 69 69 ASP CB C 13 42.099 0.2 . 1 . . . . 141 ASP CB . 7140 1
225 . 1 1 69 69 ASP N N 15 118.961 0.1 . 1 . . . . 141 ASP N . 7140 1
226 . 1 1 70 70 GLU H H 1 8.485 0.02 . 1 . . . . 142 GLU H . 7140 1
227 . 1 1 70 70 GLU CA C 13 59.027 0.2 . 1 . . . . 142 GLU CA . 7140 1
228 . 1 1 70 70 GLU CB C 13 27.834 0.2 . 1 . . . . 142 GLU CB . 7140 1
229 . 1 1 70 70 GLU N N 15 114.101 0.1 . 1 . . . . 142 GLU N . 7140 1
230 . 1 1 71 71 GLU H H 1 8.444 0.02 . 1 . . . . 143 GLU H . 7140 1
231 . 1 1 71 71 GLU CA C 13 57.514 0.2 . 1 . . . . 143 GLU CA . 7140 1
232 . 1 1 71 71 GLU CB C 13 32.003 0.2 . 1 . . . . 143 GLU CB . 7140 1
233 . 1 1 71 71 GLU N N 15 118.591 0.1 . 1 . . . . 143 GLU N . 7140 1
234 . 1 1 72 72 VAL H H 1 9.306 0.02 . 1 . . . . 144 VAL H . 7140 1
235 . 1 1 72 72 VAL CA C 13 61.489 0.2 . 1 . . . . 144 VAL CA . 7140 1
236 . 1 1 72 72 VAL CB C 13 32.821 0.2 . 1 . . . . 144 VAL CB . 7140 1
237 . 1 1 72 72 VAL N N 15 122.945 0.1 . 1 . . . . 144 VAL N . 7140 1
238 . 1 1 73 73 TYR H H 1 8.323 0.02 . 1 . . . . 145 TYR H . 7140 1
239 . 1 1 73 73 TYR CA C 13 56.295 0.2 . 1 . . . . 145 TYR CA . 7140 1
240 . 1 1 73 73 TYR N N 15 127.173 0.1 . 1 . . . . 145 TYR N . 7140 1
241 . 1 1 74 74 PHE H H 1 9.403 0.02 . 1 . . . . 146 PHE H . 7140 1
242 . 1 1 74 74 PHE CA C 13 56.413 0.2 . 1 . . . . 146 PHE CA . 7140 1
243 . 1 1 74 74 PHE CB C 13 43.985 0.2 . 1 . . . . 146 PHE CB . 7140 1
244 . 1 1 74 74 PHE N N 15 117.109 0.1 . 1 . . . . 146 PHE N . 7140 1
245 . 1 1 75 75 GLU H H 1 8.989 0.02 . 1 . . . . 147 GLU H . 7140 1
246 . 1 1 75 75 GLU CA C 13 58.260 0.2 . 1 . . . . 147 GLU CA . 7140 1
247 . 1 1 75 75 GLU CB C 13 31.113 0.2 . 1 . . . . 147 GLU CB . 7140 1
248 . 1 1 75 75 GLU N N 15 118.666 0.1 . 1 . . . . 147 GLU N . 7140 1
249 . 1 1 76 76 ASN H H 1 7.525 0.02 . 1 . . . . 148 ASN H . 7140 1
250 . 1 1 76 76 ASN CA C 13 52.266 0.2 . 1 . . . . 148 ASN CA . 7140 1
251 . 1 1 76 76 ASN CB C 13 40.451 0.2 . 1 . . . . 148 ASN CB . 7140 1
252 . 1 1 76 76 ASN N N 15 107.894 0.1 . 1 . . . . 148 ASN N . 7140 1
253 . 1 1 77 77 LEU H H 1 9.085 0.02 . 1 . . . . 149 LEU H . 7140 1
254 . 1 1 77 77 LEU CA C 13 57.335 0.2 . 1 . . . . 149 LEU CA . 7140 1
255 . 1 1 77 77 LEU CB C 13 43.702 0.2 . 1 . . . . 149 LEU CB . 7140 1
256 . 1 1 77 77 LEU N N 15 118.456 0.1 . 1 . . . . 149 LEU N . 7140 1
257 . 1 1 78 78 MET H H 1 8.266 0.02 . 1 . . . . 150 MET H . 7140 1
258 . 1 1 78 78 MET CA C 13 60.646 0.2 . 1 . . . . 150 MET CA . 7140 1
259 . 1 1 78 78 MET CB C 13 31.104 0.2 . 1 . . . . 150 MET CB . 7140 1
260 . 1 1 78 78 MET N N 15 118.655 0.1 . 1 . . . . 150 MET N . 7140 1
261 . 1 1 79 79 GLN H H 1 8.373 0.02 . 1 . . . . 151 GLN H . 7140 1
262 . 1 1 79 79 GLN CA C 13 58.464 0.2 . 1 . . . . 151 GLN CA . 7140 1
263 . 1 1 79 79 GLN CB C 13 29.728 0.2 . 1 . . . . 151 GLN CB . 7140 1
264 . 1 1 79 79 GLN N N 15 118.759 0.1 . 1 . . . . 151 GLN N . 7140 1
265 . 1 1 80 80 LEU H H 1 6.876 0.02 . 1 . . . . 152 LEU H . 7140 1
266 . 1 1 80 80 LEU CA C 13 58.861 0.2 . 1 . . . . 152 LEU CA . 7140 1
267 . 1 1 80 80 LEU N N 15 121.954 0.1 . 1 . . . . 152 LEU N . 7140 1
268 . 1 1 81 81 VAL H H 1 7.947 0.02 . 1 . . . . 153 VAL H . 7140 1
269 . 1 1 81 81 VAL CA C 13 66.983 0.2 . 1 . . . . 153 VAL CA . 7140 1
270 . 1 1 81 81 VAL CB C 13 31.468 0.2 . 1 . . . . 153 VAL CB . 7140 1
271 . 1 1 81 81 VAL N N 15 119.476 0.1 . 1 . . . . 153 VAL N . 7140 1
272 . 1 1 82 82 GLU H H 1 8.184 0.02 . 1 . . . . 154 GLU H . 7140 1
273 . 1 1 82 82 GLU CA C 13 59.925 0.2 . 1 . . . . 154 GLU CA . 7140 1
274 . 1 1 82 82 GLU CB C 13 29.505 0.2 . 1 . . . . 154 GLU CB . 7140 1
275 . 1 1 82 82 GLU N N 15 120.318 0.1 . 1 . . . . 154 GLU N . 7140 1
276 . 1 1 83 83 HIS H H 1 7.801 0.02 . 1 . . . . 155 HIS H . 7140 1
277 . 1 1 83 83 HIS CA C 13 60.600 0.2 . 1 . . . . 155 HIS CA . 7140 1
278 . 1 1 83 83 HIS N N 15 119.753 0.1 . 1 . . . . 155 HIS N . 7140 1
279 . 1 1 84 84 TYR H H 1 7.366 0.02 . 1 . . . . 156 TYR H . 7140 1
280 . 1 1 84 84 TYR CA C 13 60.375 0.2 . 1 . . . . 156 TYR CA . 7140 1
281 . 1 1 84 84 TYR CB C 13 37.705 0.2 . 1 . . . . 156 TYR CB . 7140 1
282 . 1 1 84 84 TYR N N 15 115.520 0.1 . 1 . . . . 156 TYR N . 7140 1
283 . 1 1 85 85 THR H H 1 7.542 0.02 . 1 . . . . 157 THR H . 7140 1
284 . 1 1 85 85 THR CA C 13 64.335 0.2 . 1 . . . . 157 THR CA . 7140 1
285 . 1 1 85 85 THR CB C 13 69.409 0.2 . 1 . . . . 157 THR CB . 7140 1
286 . 1 1 85 85 THR N N 15 115.088 0.1 . 1 . . . . 157 THR N . 7140 1
287 . 1 1 86 86 SER H H 1 7.181 0.02 . 1 . . . . 158 SER H . 7140 1
288 . 1 1 86 86 SER CA C 13 60.237 0.2 . 1 . . . . 158 SER CA . 7140 1
289 . 1 1 86 86 SER N N 15 116.659 0.1 . 1 . . . . 158 SER N . 7140 1
290 . 1 1 87 87 ASP H H 1 7.523 0.02 . 1 . . . . 159 ASP H . 7140 1
291 . 1 1 87 87 ASP CA C 13 53.813 0.2 . 1 . . . . 159 ASP CA . 7140 1
292 . 1 1 87 87 ASP CB C 13 44.495 0.2 . 1 . . . . 159 ASP CB . 7140 1
293 . 1 1 87 87 ASP N N 15 119.626 0.1 . 1 . . . . 159 ASP N . 7140 1
294 . 1 1 88 88 ALA H H 1 8.218 0.02 . 1 . . . . 160 ALA H . 7140 1
295 . 1 1 88 88 ALA CA C 13 54.963 0.2 . 1 . . . . 160 ALA CA . 7140 1
296 . 1 1 88 88 ALA CB C 13 18.812 0.2 . 1 . . . . 160 ALA CB . 7140 1
297 . 1 1 88 88 ALA N N 15 124.036 0.1 . 1 . . . . 160 ALA N . 7140 1
298 . 1 1 89 89 ASP H H 1 8.120 0.02 . 1 . . . . 161 ASP H . 7140 1
299 . 1 1 89 89 ASP CA C 13 54.721 0.2 . 1 . . . . 161 ASP CA . 7140 1
300 . 1 1 89 89 ASP CB C 13 40.926 0.2 . 1 . . . . 161 ASP CB . 7140 1
301 . 1 1 89 89 ASP N N 15 112.472 0.1 . 1 . . . . 161 ASP N . 7140 1
302 . 1 1 90 90 GLY H H 1 8.236 0.02 . 1 . . . . 162 GLY H . 7140 1
303 . 1 1 90 90 GLY CA C 13 45.114 0.2 . 1 . . . . 162 GLY CA . 7140 1
304 . 1 1 90 90 GLY N N 15 105.492 0.1 . 1 . . . . 162 GLY N . 7140 1
305 . 1 1 91 91 LEU H H 1 8.321 0.02 . 1 . . . . 163 LEU H . 7140 1
306 . 1 1 91 91 LEU CA C 13 54.315 0.2 . 1 . . . . 163 LEU CA . 7140 1
307 . 1 1 91 91 LEU CB C 13 42.248 0.2 . 1 . . . . 163 LEU CB . 7140 1
308 . 1 1 91 91 LEU N N 15 120.416 0.1 . 1 . . . . 163 LEU N . 7140 1
309 . 1 1 92 92 CYS H H 1 7.571 0.02 . 1 . . . . 164 CYS H . 7140 1
310 . 1 1 92 92 CYS CA C 13 58.606 0.2 . 1 . . . . 164 CYS CA . 7140 1
311 . 1 1 92 92 CYS N N 15 115.142 0.1 . 1 . . . . 164 CYS N . 7140 1
312 . 1 1 93 93 THR H H 1 7.171 0.02 . 1 . . . . 165 THR H . 7140 1
313 . 1 1 93 93 THR CA C 13 59.653 0.2 . 1 . . . . 165 THR CA . 7140 1
314 . 1 1 93 93 THR CB C 13 68.954 0.2 . 1 . . . . 165 THR CB . 7140 1
315 . 1 1 93 93 THR N N 15 114.771 0.1 . 1 . . . . 165 THR N . 7140 1
316 . 1 1 94 94 ARG H H 1 7.510 0.02 . 1 . . . . 166 ARG H . 7140 1
317 . 1 1 94 94 ARG CA C 13 56.410 0.2 . 1 . . . . 166 ARG CA . 7140 1
318 . 1 1 94 94 ARG CB C 13 30.920 0.2 . 1 . . . . 166 ARG CB . 7140 1
319 . 1 1 94 94 ARG N N 15 121.703 0.1 . 1 . . . . 166 ARG N . 7140 1
320 . 1 1 95 95 LEU H H 1 7.930 0.02 . 1 . . . . 167 LEU H . 7140 1
321 . 1 1 95 95 LEU CA C 13 54.516 0.2 . 1 . . . . 167 LEU CA . 7140 1
322 . 1 1 95 95 LEU CB C 13 38.260 0.2 . 1 . . . . 167 LEU CB . 7140 1
323 . 1 1 95 95 LEU N N 15 121.837 0.1 . 1 . . . . 167 LEU N . 7140 1
324 . 1 1 96 96 ILE H H 1 8.519 0.02 . 1 . . . . 168 ILE H . 7140 1
325 . 1 1 96 96 ILE CA C 13 62.790 0.2 . 1 . . . . 168 ILE CA . 7140 1
326 . 1 1 96 96 ILE CB C 13 39.805 0.2 . 1 . . . . 168 ILE CB . 7140 1
327 . 1 1 96 96 ILE N N 15 121.749 0.1 . 1 . . . . 168 ILE N . 7140 1
328 . 1 1 97 97 LYS H H 1 7.803 0.02 . 1 . . . . 169 LYS H . 7140 1
329 . 1 1 97 97 LYS CA C 13 52.712 0.2 . 1 . . . . 169 LYS CA . 7140 1
330 . 1 1 97 97 LYS CB C 13 35.832 0.2 . 1 . . . . 169 LYS CB . 7140 1
331 . 1 1 97 97 LYS N N 15 120.482 0.1 . 1 . . . . 169 LYS N . 7140 1
332 . 1 1 98 98 PRO CA C 13 61.435 0.2 . 1 . . . . 170 PRO CA . 7140 1
333 . 1 1 98 98 PRO CB C 13 32.550 0.2 . 1 . . . . 170 PRO CB . 7140 1
334 . 1 1 99 99 LYS H H 1 8.758 0.02 . 1 . . . . 171 LYS H . 7140 1
335 . 1 1 99 99 LYS CA C 13 53.856 0.2 . 1 . . . . 171 LYS CA . 7140 1
336 . 1 1 99 99 LYS CB C 13 30.915 0.2 . 1 . . . . 171 LYS CB . 7140 1
337 . 1 1 99 99 LYS N N 15 124.857 0.1 . 1 . . . . 171 LYS N . 7140 1
338 . 1 1 100 100 VAL H H 1 8.159 0.02 . 1 . . . . 172 VAL H . 7140 1
339 . 1 1 100 100 VAL CA C 13 62.416 0.2 . 1 . . . . 172 VAL CA . 7140 1
340 . 1 1 100 100 VAL CB C 13 32.564 0.2 . 1 . . . . 172 VAL CB . 7140 1
341 . 1 1 100 100 VAL N N 15 126.831 0.1 . 1 . . . . 172 VAL N . 7140 1
342 . 1 1 101 101 MET H H 1 8.389 0.02 . 1 . . . . 173 MET H . 7140 1
343 . 1 1 101 101 MET CA C 13 56.378 0.2 . 1 . . . . 173 MET CA . 7140 1
344 . 1 1 101 101 MET CB C 13 32.183 0.2 . 1 . . . . 173 MET CB . 7140 1
345 . 1 1 101 101 MET N N 15 125.689 0.1 . 1 . . . . 173 MET N . 7140 1
346 . 1 1 102 102 GLU H H 1 8.542 0.02 . 1 . . . . 174 GLU H . 7140 1
347 . 1 1 102 102 GLU CA C 13 56.461 0.2 . 1 . . . . 174 GLU CA . 7140 1
348 . 1 1 102 102 GLU CB C 13 30.638 0.2 . 1 . . . . 174 GLU CB . 7140 1
349 . 1 1 102 102 GLU N N 15 125.400 0.1 . 1 . . . . 174 GLU N . 7140 1
350 . 1 1 103 103 GLY H H 1 8.387 0.02 . 1 . . . . 175 GLY H . 7140 1
351 . 1 1 103 103 GLY CA C 13 45.030 0.2 . 1 . . . . 175 GLY CA . 7140 1
352 . 1 1 103 103 GLY N N 15 110.603 0.1 . 1 . . . . 175 GLY N . 7140 1
353 . 1 1 104 104 THR H H 1 8.043 0.02 . 1 . . . . 176 THR H . 7140 1
354 . 1 1 104 104 THR CA C 13 62.019 0.2 . 1 . . . . 176 THR CA . 7140 1
355 . 1 1 104 104 THR CB C 13 70.299 0.2 . 1 . . . . 176 THR CB . 7140 1
356 . 1 1 104 104 THR N N 15 114.439 0.1 . 1 . . . . 176 THR N . 7140 1
357 . 1 1 105 105 VAL H H 1 8.242 0.02 . 1 . . . . 177 VAL H . 7140 1
358 . 1 1 105 105 VAL CA C 13 62.337 0.2 . 1 . . . . 177 VAL CA . 7140 1
359 . 1 1 105 105 VAL CB C 13 32.922 0.2 . 1 . . . . 177 VAL CB . 7140 1
360 . 1 1 105 105 VAL N N 15 123.338 0.1 . 1 . . . . 177 VAL N . 7140 1
361 . 1 1 106 106 ALA H H 1 7.999 0.02 . 1 . . . . 178 ALA H . 7140 1
362 . 1 1 106 106 ALA CA C 13 53.815 0.2 . 1 . . . . 178 ALA CA . 7140 1
363 . 1 1 106 106 ALA N N 15 133.822 0.1 . 1 . . . . 178 ALA N . 7140 1
stop_
save_