Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 18868
_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' . . . 18868 1
2 '3D HNCA' . . . 18868 1
3 '3D HN(CO)CA' . . . 18868 1
4 '3D HNCACB' . . . 18868 1
5 '3D CBCA(CO)NH' . . . 18868 1
6 '3D HNCO' . . . 18868 1
7 '3D HCACO' . . . 18868 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 1 1 MET C C 13 177.165 0.20 0.023 1 . . . . 1 MET C . 18868 1
2 . 1 1 1 1 MET CB C 13 33.800 0.20 0.571 1 . . . . 1 MET CB . 18868 1
3 . 1 1 2 2 ALA H H 1 8.241 0.02 0.023 1 . . . B 2 ALA H . 18868 1
4 . 1 1 2 2 ALA CA C 13 57.300 0.20 0.587 1 . . . B 2 ALA CA . 18868 1
5 . 1 1 2 2 ALA N N 15 112.780 0.20 0.023 1 . . . B 2 ALA N . 18868 1
6 . 1 1 3 3 SER H H 1 7.854 0.02 0.634 1 . . . B 3 SER H . 18868 1
7 . 1 1 3 3 SER N N 15 118.552 0.20 0.634 1 . . . B 3 SER N . 18868 1
8 . 1 1 4 4 PRO C C 13 180.814 0.20 1.000 1 . . . B 4 PRO C . 18868 1
9 . 1 1 4 4 PRO CA C 13 66.500 0.20 1.000 1 . . . B 4 PRO CA . 18868 1
10 . 1 1 5 5 LEU H H 1 9.386 0.02 1.000 1 . . . B 5 LEU H . 18868 1
11 . 1 1 5 5 LEU C C 13 179.272 0.20 1.000 1 . . . B 5 LEU C . 18868 1
12 . 1 1 5 5 LEU CA C 13 58.600 0.20 1.000 1 . . . B 5 LEU CA . 18868 1
13 . 1 1 5 5 LEU N N 15 119.501 0.20 1.000 1 . . . B 5 LEU N . 18868 1
14 . 1 1 6 6 ASP H H 1 7.912 0.02 1.000 1 . . . B 6 ASP H . 18868 1
15 . 1 1 6 6 ASP C C 13 182.313 0.20 1.000 1 . . . B 6 ASP C . 18868 1
16 . 1 1 6 6 ASP CA C 13 58.000 0.20 1.000 1 . . . B 6 ASP CA . 18868 1
17 . 1 1 6 6 ASP N N 15 119.191 0.20 1.000 1 . . . B 6 ASP N . 18868 1
18 . 1 1 7 7 GLN H H 1 8.065 0.02 1.000 1 . . . B 7 GLN H . 18868 1
19 . 1 1 7 7 GLN C C 13 179.998 0.20 1.000 1 . . . B 7 GLN C . 18868 1
20 . 1 1 7 7 GLN CA C 13 58.900 0.20 1.000 1 . . . B 7 GLN CA . 18868 1
21 . 1 1 7 7 GLN N N 15 117.979 0.20 1.000 1 . . . B 7 GLN N . 18868 1
22 . 1 1 8 8 ALA H H 1 8.159 0.02 1.000 1 . . . B 8 ALA H . 18868 1
23 . 1 1 8 8 ALA CA C 13 55.500 0.20 0.627 1 . . . B 8 ALA CA . 18868 1
24 . 1 1 8 8 ALA N N 15 124.008 0.20 1.000 1 . . . B 8 ALA N . 18868 1
25 . 1 1 9 9 ILE C C 13 179.258 0.20 1.000 1 . . . B 9 ILE C . 18868 1
26 . 1 1 9 9 ILE CA C 13 64.900 0.20 1.000 1 . . . B 9 ILE CA . 18868 1
27 . 1 1 10 10 GLY H H 1 8.062 0.02 1.000 1 . . . B 10 GLY H . 18868 1
28 . 1 1 10 10 GLY C C 13 177.984 0.20 1.000 1 . . . B 10 GLY C . 18868 1
29 . 1 1 10 10 GLY CA C 13 47.300 0.20 1.000 1 . . . B 10 GLY CA . 18868 1
30 . 1 1 10 10 GLY N N 15 105.447 0.20 1.000 1 . . . B 10 GLY N . 18868 1
31 . 1 1 11 11 LEU H H 1 8.067 0.02 1.000 1 . . . B 11 LEU H . 18868 1
32 . 1 1 11 11 LEU C C 13 178.346 0.20 1.000 1 . . . B 11 LEU C . 18868 1
33 . 1 1 11 11 LEU CA C 13 58.000 0.20 1.000 1 . . . B 11 LEU CA . 18868 1
34 . 1 1 11 11 LEU N N 15 124.755 0.20 1.000 1 . . . B 11 LEU N . 18868 1
35 . 1 1 12 12 LEU H H 1 7.997 0.02 1.000 1 . . . B 12 LEU H . 18868 1
36 . 1 1 12 12 LEU C C 13 182.560 0.20 1.000 1 . . . B 12 LEU C . 18868 1
37 . 1 1 12 12 LEU CA C 13 59.000 0.20 1.000 1 . . . B 12 LEU CA . 18868 1
38 . 1 1 12 12 LEU N N 15 121.609 0.20 1.000 1 . . . B 12 LEU N . 18868 1
39 . 1 1 13 13 VAL H H 1 8.087 0.02 1.000 1 . . . B 13 VAL H . 18868 1
40 . 1 1 13 13 VAL C C 13 178.016 0.20 1.000 1 . . . B 13 VAL C . 18868 1
41 . 1 1 13 13 VAL CA C 13 67.100 0.20 1.000 1 . . . B 13 VAL CA . 18868 1
42 . 1 1 13 13 VAL N N 15 119.951 0.20 1.000 1 . . . B 13 VAL N . 18868 1
43 . 1 1 14 14 ALA H H 1 8.363 0.02 1.000 1 . . . B 14 ALA H . 18868 1
44 . 1 1 14 14 ALA C C 13 175.380 0.20 1.000 1 . . . B 14 ALA C . 18868 1
45 . 1 1 14 14 ALA CA C 13 55.600 0.20 1.000 1 . . . B 14 ALA CA . 18868 1
46 . 1 1 14 14 ALA N N 15 122.867 0.20 1.000 1 . . . B 14 ALA N . 18868 1
47 . 1 1 15 15 ILE H H 1 8.787 0.02 1.000 1 . . . B 15 ILE H . 18868 1
48 . 1 1 15 15 ILE C C 13 178.058 0.20 1.000 1 . . . B 15 ILE C . 18868 1
49 . 1 1 15 15 ILE CA C 13 64.800 0.20 1.000 1 . . . B 15 ILE CA . 18868 1
50 . 1 1 15 15 ILE N N 15 118.496 0.20 1.000 1 . . . B 15 ILE N . 18868 1
51 . 1 1 16 16 PHE H H 1 7.171 0.02 1.000 1 . . . B 16 PHE H . 18868 1
52 . 1 1 16 16 PHE N N 15 119.259 0.20 1.000 1 . . . B 16 PHE N . 18868 1
53 . 1 1 17 17 HIS C C 13 178.660 0.20 1.000 1 . . . B 17 HIS C . 18868 1
54 . 1 1 17 17 HIS CA C 13 54.800 0.20 1.000 1 . . . B 17 HIS CA . 18868 1
55 . 1 1 17 17 HIS CB C 13 30.000 0.20 1.000 1 . . . B 17 HIS CB . 18868 1
56 . 1 1 18 18 LYS H H 1 8.880 0.02 1.000 1 . . . B 18 LYS H . 18868 1
57 . 1 1 18 18 LYS C C 13 180.221 0.20 1.000 1 . . . B 18 LYS C . 18868 1
58 . 1 1 18 18 LYS CA C 13 58.800 0.20 1.000 1 . . . B 18 LYS CA . 18868 1
59 . 1 1 18 18 LYS CB C 13 40.200 0.20 1.000 1 . . . B 18 LYS CB . 18868 1
60 . 1 1 18 18 LYS CE C 13 42.100 0.20 0.161 1 . . . B 18 LYS CE . 18868 1
61 . 1 1 18 18 LYS N N 15 122.924 0.20 1.000 1 . . . B 18 LYS N . 18868 1
62 . 1 1 19 19 TYR H H 1 8.879 0.02 1.000 1 . . . B 19 TYR H . 18868 1
63 . 1 1 19 19 TYR C C 13 178.435 0.20 1.000 1 . . . B 19 TYR C . 18868 1
64 . 1 1 19 19 TYR CA C 13 55.300 0.20 1.000 1 . . . B 19 TYR CA . 18868 1
65 . 1 1 19 19 TYR N N 15 120.227 0.20 1.000 1 . . . B 19 TYR N . 18868 1
66 . 1 1 20 20 SER H H 1 7.557 0.02 1.000 1 . . . B 20 SER H . 18868 1
67 . 1 1 20 20 SER C C 13 178.376 0.20 1.000 1 . . . B 20 SER C . 18868 1
68 . 1 1 20 20 SER CA C 13 56.900 0.20 1.000 1 . . . B 20 SER CA . 18868 1
69 . 1 1 20 20 SER CB C 13 61.700 0.20 1.000 1 . . . B 20 SER CB . 18868 1
70 . 1 1 20 20 SER N N 15 119.760 0.20 1.000 1 . . . B 20 SER N . 18868 1
71 . 1 1 21 21 GLY H H 1 7.696 0.02 1.000 1 . . . B 21 GLY H . 18868 1
72 . 1 1 21 21 GLY C C 13 174.862 0.20 1.000 1 . . . B 21 GLY C . 18868 1
73 . 1 1 21 21 GLY CA C 13 45.600 0.20 1.000 1 . . . B 21 GLY CA . 18868 1
74 . 1 1 21 21 GLY N N 15 111.202 0.20 1.000 1 . . . B 21 GLY N . 18868 1
75 . 1 1 22 22 ARG H H 1 7.311 0.02 1.000 1 . . . B 22 ARG H . 18868 1
76 . 1 1 22 22 ARG C C 13 178.336 0.20 1.000 1 . . . B 22 ARG C . 18868 1
77 . 1 1 22 22 ARG CA C 13 59.500 0.20 1.000 1 . . . B 22 ARG CA . 18868 1
78 . 1 1 22 22 ARG CB C 13 30.500 0.20 1.000 1 . . . B 22 ARG CB . 18868 1
79 . 1 1 22 22 ARG CD C 13 43.300 0.20 0.155 1 . . . B 22 ARG CD . 18868 1
80 . 1 1 22 22 ARG N N 15 122.200 0.20 1.000 1 . . . B 22 ARG N . 18868 1
81 . 1 1 23 23 GLU H H 1 9.488 0.02 1.000 1 . . . B 23 GLU H . 18868 1
82 . 1 1 23 23 GLU C C 13 177.129 0.20 1.000 1 . . . B 23 GLU C . 18868 1
83 . 1 1 23 23 GLU CA C 13 54.300 0.20 1.000 1 . . . B 23 GLU CA . 18868 1
84 . 1 1 23 23 GLU CB C 13 33.200 0.20 1.000 1 . . . B 23 GLU CB . 18868 1
85 . 1 1 23 23 GLU N N 15 115.984 0.20 1.000 1 . . . B 23 GLU N . 18868 1
86 . 1 1 24 24 GLY H H 1 9.048 0.02 1.000 1 . . . B 24 GLY H . 18868 1
87 . 1 1 24 24 GLY C C 13 174.499 0.20 1.000 1 . . . B 24 GLY C . 18868 1
88 . 1 1 24 24 GLY CA C 13 45.900 0.20 1.000 1 . . . B 24 GLY CA . 18868 1
89 . 1 1 24 24 GLY N N 15 114.031 0.20 1.000 1 . . . B 24 GLY N . 18868 1
90 . 1 1 25 25 ASP H H 1 8.249 0.02 1.000 1 . . . B 25 ASP H . 18868 1
91 . 1 1 25 25 ASP C C 13 177.998 0.20 1.000 1 . . . B 25 ASP C . 18868 1
92 . 1 1 25 25 ASP CA C 13 55.000 0.20 1.000 1 . . . B 25 ASP CA . 18868 1
93 . 1 1 25 25 ASP N N 15 125.634 0.20 1.000 1 . . . B 25 ASP N . 18868 1
94 . 1 1 26 26 LYS H H 1 9.043 0.02 1.000 1 . . . B 26 LYS H . 18868 1
95 . 1 1 26 26 LYS CA C 13 57.400 0.20 0.671 1 . . . B 26 LYS CA . 18868 1
96 . 1 1 26 26 LYS CB C 13 37.800 0.20 0.836 1 . . . B 26 LYS CB . 18868 1
97 . 1 1 26 26 LYS CE C 13 42.100 0.20 0.161 1 . . . B 26 LYS CE . 18868 1
98 . 1 1 26 26 LYS N N 15 121.469 0.20 1.000 1 . . . B 26 LYS N . 18868 1
99 . 1 1 27 27 HIS H H 1 8.168 0.02 0.998 1 . . . B 27 HIS H . 18868 1
100 . 1 1 27 27 HIS C C 13 175.067 0.20 1.000 1 . . . B 27 HIS C . 18868 1
101 . 1 1 27 27 HIS CA C 13 55.300 0.20 1.000 1 . . . B 27 HIS CA . 18868 1
102 . 1 1 27 27 HIS CB C 13 30.300 0.20 1.000 1 . . . B 27 HIS CB . 18868 1
103 . 1 1 27 27 HIS N N 15 121.183 0.20 0.998 1 . . . B 27 HIS N . 18868 1
104 . 1 1 28 28 THR H H 1 7.248 0.02 1.000 1 . . . B 28 THR H . 18868 1
105 . 1 1 28 28 THR C C 13 174.469 0.20 1.000 1 . . . B 28 THR C . 18868 1
106 . 1 1 28 28 THR CA C 13 60.000 0.20 1.000 1 . . . B 28 THR CA . 18868 1
107 . 1 1 28 28 THR N N 15 106.447 0.20 1.000 1 . . . B 28 THR N . 18868 1
108 . 1 1 29 29 LEU H H 1 9.421 0.02 1.000 1 . . . B 29 LEU H . 18868 1
109 . 1 1 29 29 LEU C C 13 180.751 0.20 1.000 1 . . . B 29 LEU C . 18868 1
110 . 1 1 29 29 LEU CA C 13 55.200 0.20 1.000 1 . . . B 29 LEU CA . 18868 1
111 . 1 1 29 29 LEU CB C 13 41.800 0.20 1.000 1 . . . B 29 LEU CB . 18868 1
112 . 1 1 29 29 LEU N N 15 125.037 0.20 1.000 1 . . . B 29 LEU N . 18868 1
113 . 1 1 30 30 SER H H 1 9.312 0.02 1.000 1 . . . B 30 SER H . 18868 1
114 . 1 1 30 30 SER C C 13 177.946 0.20 1.000 1 . . . B 30 SER C . 18868 1
115 . 1 1 30 30 SER CA C 13 57.900 0.20 1.000 1 . . . B 30 SER CA . 18868 1
116 . 1 1 30 30 SER N N 15 131.373 0.20 1.000 1 . . . B 30 SER N . 18868 1
117 . 1 1 31 31 LYS H H 1 9.659 0.02 1.000 1 . . . B 31 LYS H . 18868 1
118 . 1 1 31 31 LYS CA C 13 55.400 0.20 0.562 1 . . . B 31 LYS CA . 18868 1
119 . 1 1 31 31 LYS CE C 13 42.100 0.20 0.161 1 . . . B 31 LYS CE . 18868 1
120 . 1 1 31 31 LYS N N 15 117.689 0.20 1.000 1 . . . B 31 LYS N . 18868 1
121 . 1 1 32 32 LYS C C 13 180.677 0.20 1.000 1 . . . B 32 LYS C . 18868 1
122 . 1 1 32 32 LYS CA C 13 59.800 0.20 0.600 1 . . . B 32 LYS CA . 18868 1
123 . 1 1 32 32 LYS CE C 13 42.100 0.20 0.161 1 . . . B 32 LYS CE . 18868 1
124 . 1 1 33 33 GLU H H 1 7.608 0.02 1.000 1 . . . B 33 GLU H . 18868 1
125 . 1 1 33 33 GLU C C 13 179.654 0.20 1.000 1 . . . B 33 GLU C . 18868 1
126 . 1 1 33 33 GLU CA C 13 59.300 0.20 1.000 1 . . . B 33 GLU CA . 18868 1
127 . 1 1 33 33 GLU N N 15 120.336 0.20 1.000 1 . . . B 33 GLU N . 18868 1
128 . 1 1 34 34 LEU H H 1 7.659 0.02 1.000 1 . . . B 34 LEU H . 18868 1
129 . 1 1 34 34 LEU C C 13 179.420 0.20 1.000 1 . . . B 34 LEU C . 18868 1
130 . 1 1 34 34 LEU CA C 13 56.600 0.20 0.663 1 . . . B 34 LEU CA . 18868 1
131 . 1 1 34 34 LEU N N 15 117.303 0.20 1.000 1 . . . B 34 LEU N . 18868 1
132 . 1 1 35 35 LYS H H 1 7.731 0.02 1.000 1 . . . B 35 LYS H . 18868 1
133 . 1 1 35 35 LYS CA C 13 60.700 0.20 1.000 1 . . . B 35 LYS CA . 18868 1
134 . 1 1 35 35 LYS CB C 13 32.000 0.20 1.000 1 . . . B 35 LYS CB . 18868 1
135 . 1 1 35 35 LYS CE C 13 42.100 0.20 0.161 1 . . . B 35 LYS CE . 18868 1
136 . 1 1 35 35 LYS N N 15 116.520 0.20 1.000 1 . . . B 35 LYS N . 18868 1
137 . 1 1 36 36 GLU H H 1 7.871 0.02 1.000 1 . . . B 36 GLU H . 18868 1
138 . 1 1 36 36 GLU C C 13 177.868 0.20 1.000 1 . . . B 36 GLU C . 18868 1
139 . 1 1 36 36 GLU CA C 13 59.700 0.20 1.000 1 . . . B 36 GLU CA . 18868 1
140 . 1 1 36 36 GLU CB C 13 29.300 0.20 1.000 1 . . . B 36 GLU CB . 18868 1
141 . 1 1 36 36 GLU N N 15 118.365 0.20 1.000 1 . . . B 36 GLU N . 18868 1
142 . 1 1 37 37 LEU H H 1 7.513 0.02 1.000 1 . . . B 37 LEU H . 18868 1
143 . 1 1 37 37 LEU C C 13 176.731 0.20 1.000 1 . . . B 37 LEU C . 18868 1
144 . 1 1 37 37 LEU CA C 13 59.500 0.20 1.000 1 . . . B 37 LEU CA . 18868 1
145 . 1 1 37 37 LEU CB C 13 42.700 0.20 0.562 1 . . . B 37 LEU CB . 18868 1
146 . 1 1 37 37 LEU N N 15 121.068 0.20 1.000 1 . . . B 37 LEU N . 18868 1
147 . 1 1 38 38 ILE H H 1 8.206 0.02 1.000 1 . . . B 38 ILE H . 18868 1
148 . 1 1 38 38 ILE C C 13 178.658 0.20 1.000 1 . . . B 38 ILE C . 18868 1
149 . 1 1 38 38 ILE CA C 13 65.300 0.20 1.000 1 . . . B 38 ILE CA . 18868 1
150 . 1 1 38 38 ILE N N 15 117.867 0.20 1.000 1 . . . B 38 ILE N . 18868 1
151 . 1 1 39 39 GLN H H 1 8.238 0.02 1.000 1 . . . B 39 GLN H . 18868 1
152 . 1 1 39 39 GLN C C 13 180.003 0.20 1.000 1 . . . B 39 GLN C . 18868 1
153 . 1 1 39 39 GLN CA C 13 59.500 0.20 1.000 1 . . . B 39 GLN CA . 18868 1
154 . 1 1 39 39 GLN N N 15 114.147 0.20 1.000 1 . . . B 39 GLN N . 18868 1
155 . 1 1 40 40 LYS H H 1 8.298 0.02 1.000 1 . . . B 40 LYS H . 18868 1
156 . 1 1 40 40 LYS C C 13 180.483 0.20 1.000 1 . . . B 40 LYS C . 18868 1
157 . 1 1 40 40 LYS CA C 13 57.500 0.20 1.000 1 . . . B 40 LYS CA . 18868 1
158 . 1 1 40 40 LYS CE C 13 42.100 0.20 0.161 1 . . . B 40 LYS CE . 18868 1
159 . 1 1 40 40 LYS N N 15 115.051 0.20 1.000 1 . . . B 40 LYS N . 18868 1
160 . 1 1 41 41 GLU H H 1 8.328 0.02 1.000 1 . . . B 41 GLU H . 18868 1
161 . 1 1 41 41 GLU C C 13 178.252 0.20 1.000 1 . . . B 41 GLU C . 18868 1
162 . 1 1 41 41 GLU CA C 13 55.700 0.20 1.000 1 . . . B 41 GLU CA . 18868 1
163 . 1 1 41 41 GLU N N 15 112.448 0.20 1.000 1 . . . B 41 GLU N . 18868 1
164 . 1 1 42 42 LEU H H 1 7.361 0.02 1.000 1 . . . B 42 LEU H . 18868 1
165 . 1 1 42 42 LEU C C 13 179.377 0.20 1.000 1 . . . B 42 LEU C . 18868 1
166 . 1 1 42 42 LEU CA C 13 53.300 0.20 1.000 1 . . . B 42 LEU CA . 18868 1
167 . 1 1 42 42 LEU N N 15 118.693 0.20 1.000 1 . . . B 42 LEU N . 18868 1
168 . 1 1 43 43 THR H H 1 9.926 0.02 1.000 1 . . . B 43 THR H . 18868 1
169 . 1 1 43 43 THR C C 13 180.403 0.20 1.000 1 . . . B 43 THR C . 18868 1
170 . 1 1 43 43 THR CA C 13 67.300 0.20 1.000 1 . . . B 43 THR CA . 18868 1
171 . 1 1 43 43 THR N N 15 125.535 0.20 1.000 1 . . . B 43 THR N . 18868 1
172 . 1 1 44 44 ILE H H 1 8.214 0.02 1.000 1 . . . B 44 ILE H . 18868 1
173 . 1 1 44 44 ILE C C 13 178.107 0.20 1.000 1 . . . B 44 ILE C . 18868 1
174 . 1 1 44 44 ILE CA C 13 62.400 0.20 1.000 1 . . . B 44 ILE CA . 18868 1
175 . 1 1 44 44 ILE CB C 13 38.300 0.20 1.000 1 . . . B 44 ILE CB . 18868 1
176 . 1 1 44 44 ILE N N 15 116.467 0.20 1.000 1 . . . B 44 ILE N . 18868 1
177 . 1 1 45 45 GLY H H 1 7.750 0.02 1.000 1 . . . B 45 GLY H . 18868 1
178 . 1 1 45 45 GLY C C 13 176.355 0.20 1.000 1 . . . B 45 GLY C . 18868 1
179 . 1 1 45 45 GLY CA C 13 47.400 0.20 1.000 1 . . . B 45 GLY CA . 18868 1
180 . 1 1 45 45 GLY N N 15 108.241 0.20 1.000 1 . . . B 45 GLY N . 18868 1
181 . 1 1 46 46 SER H H 1 7.847 0.02 1.000 1 . . . B 46 SER H . 18868 1
182 . 1 1 46 46 SER C C 13 176.007 0.20 1.000 1 . . . B 46 SER C . 18868 1
183 . 1 1 46 46 SER CA C 13 60.100 0.20 1.000 1 . . . B 46 SER CA . 18868 1
184 . 1 1 46 46 SER N N 15 113.635 0.20 1.000 1 . . . B 46 SER N . 18868 1
185 . 1 1 47 47 LYS H H 1 7.709 0.02 1.000 1 . . . B 47 LYS H . 18868 1
186 . 1 1 47 47 LYS C C 13 178.100 0.20 1.000 1 . . . B 47 LYS C . 18868 1
187 . 1 1 47 47 LYS CA C 13 56.000 0.20 1.000 1 . . . B 47 LYS CA . 18868 1
188 . 1 1 47 47 LYS CB C 13 33.400 0.20 1.000 1 . . . B 47 LYS CB . 18868 1
189 . 1 1 47 47 LYS CE C 13 42.100 0.20 0.161 1 . . . B 47 LYS CE . 18868 1
190 . 1 1 47 47 LYS N N 15 119.437 0.20 1.000 1 . . . B 47 LYS N . 18868 1
191 . 1 1 48 48 LEU H H 1 7.139 0.02 1.000 1 . . . B 48 LEU H . 18868 1
192 . 1 1 48 48 LEU C C 13 178.009 0.20 1.000 1 . . . B 48 LEU C . 18868 1
193 . 1 1 48 48 LEU CA C 13 55.000 0.20 1.000 1 . . . B 48 LEU CA . 18868 1
194 . 1 1 48 48 LEU N N 15 120.169 0.20 1.000 1 . . . B 48 LEU N . 18868 1
195 . 1 1 49 49 GLN H H 1 7.917 0.02 1.000 1 . . . B 49 GLN H . 18868 1
196 . 1 1 49 49 GLN C C 13 179.051 0.20 0.990 1 . . . B 49 GLN C . 18868 1
197 . 1 1 49 49 GLN CA C 13 58.100 0.20 0.668 1 . . . B 49 GLN CA . 18868 1
198 . 1 1 49 49 GLN N N 15 121.739 0.20 1.000 1 . . . B 49 GLN N . 18868 1
199 . 1 1 50 50 ASP H H 1 7.597 0.02 0.990 1 . . . B 50 ASP H . 18868 1
200 . 1 1 50 50 ASP C C 13 178.335 0.20 0.990 1 . . . B 50 ASP C . 18868 1
201 . 1 1 50 50 ASP CA C 13 59.300 0.20 1.000 1 . . . B 50 ASP CA . 18868 1
202 . 1 1 50 50 ASP N N 15 119.121 0.20 0.990 1 . . . B 50 ASP N . 18868 1
203 . 1 1 51 51 ALA H H 1 7.560 0.02 0.990 1 . . . B 51 ALA H . 18868 1
204 . 1 1 51 51 ALA C C 13 181.587 0.20 1.000 1 . . . B 51 ALA C . 18868 1
205 . 1 1 51 51 ALA CA C 13 57.700 0.20 0.890 1 . . . B 51 ALA CA . 18868 1
206 . 1 1 51 51 ALA N N 15 116.624 0.20 0.990 1 . . . B 51 ALA N . 18868 1
207 . 1 1 52 52 GLU H H 1 8.511 0.02 1.000 1 . . . B 52 GLU H . 18868 1
208 . 1 1 52 52 GLU C C 13 180.495 0.20 1.000 1 . . . B 52 GLU C . 18868 1
209 . 1 1 52 52 GLU CA C 13 58.900 0.20 1.000 1 . . . B 52 GLU CA . 18868 1
210 . 1 1 52 52 GLU N N 15 118.931 0.20 1.000 1 . . . B 52 GLU N . 18868 1
211 . 1 1 53 53 ILE H H 1 7.905 0.02 1.000 1 . . . B 53 ILE H . 18868 1
212 . 1 1 53 53 ILE CA C 13 65.400 0.20 0.522 1 . . . B 53 ILE CA . 18868 1
213 . 1 1 53 53 ILE N N 15 120.400 0.20 1.000 1 . . . B 53 ILE N . 18868 1
214 . 1 1 54 54 ALA C C 13 181.477 0.20 1.000 1 . . . B 54 ALA C . 18868 1
215 . 1 1 54 54 ALA CA C 13 55.600 0.20 1.000 1 . . . B 54 ALA CA . 18868 1
216 . 1 1 55 55 ARG H H 1 7.448 0.02 1.000 1 . . . B 55 ARG H . 18868 1
217 . 1 1 55 55 ARG C C 13 179.468 0.20 1.000 1 . . . B 55 ARG C . 18868 1
218 . 1 1 55 55 ARG CA C 13 59.100 0.20 1.000 1 . . . B 55 ARG CA . 18868 1
219 . 1 1 55 55 ARG CD C 13 43.300 0.20 0.155 1 . . . B 55 ARG CD . 18868 1
220 . 1 1 55 55 ARG N N 15 118.315 0.20 1.000 1 . . . B 55 ARG N . 18868 1
221 . 1 1 56 56 LEU H H 1 7.672 0.02 1.000 1 . . . B 56 LEU H . 18868 1
222 . 1 1 56 56 LEU C C 13 179.984 0.20 1.000 1 . . . B 56 LEU C . 18868 1
223 . 1 1 56 56 LEU CA C 13 58.000 0.20 1.000 1 . . . B 56 LEU CA . 18868 1
224 . 1 1 56 56 LEU N N 15 120.310 0.20 1.000 1 . . . B 56 LEU N . 18868 1
225 . 1 1 57 57 MET H H 1 8.354 0.02 1.000 1 . . . B 57 MET H . 18868 1
226 . 1 1 57 57 MET C C 13 179.083 0.20 1.000 1 . . . B 57 MET C . 18868 1
227 . 1 1 57 57 MET N N 15 115.780 0.20 1.000 1 . . . B 57 MET N . 18868 1
228 . 1 1 58 58 GLU H H 1 7.620 0.02 1.000 1 . . . B 58 GLU H . 18868 1
229 . 1 1 58 58 GLU C C 13 179.161 0.20 1.000 1 . . . B 58 GLU C . 18868 1
230 . 1 1 58 58 GLU CA C 13 59.300 0.20 1.000 1 . . . B 58 GLU CA . 18868 1
231 . 1 1 58 58 GLU CB C 13 31.100 0.20 1.000 1 . . . B 58 GLU CB . 18868 1
232 . 1 1 58 58 GLU N N 15 117.826 0.20 1.000 1 . . . B 58 GLU N . 18868 1
233 . 1 1 59 59 ASP H H 1 8.693 0.02 1.000 1 . . . B 59 ASP H . 18868 1
234 . 1 1 59 59 ASP CA C 13 57.200 0.20 1.000 1 . . . B 59 ASP CA . 18868 1
235 . 1 1 59 59 ASP N N 15 117.801 0.20 1.000 1 . . . B 59 ASP N . 18868 1
236 . 1 1 60 60 LEU H H 1 8.159 0.02 1.000 1 . . . B 60 LEU H . 18868 1
237 . 1 1 60 60 LEU C C 13 179.216 0.20 1.000 1 . . . B 60 LEU C . 18868 1
238 . 1 1 60 60 LEU CA C 13 56.200 0.20 1.000 1 . . . B 60 LEU CA . 18868 1
239 . 1 1 60 60 LEU N N 15 117.370 0.20 1.000 1 . . . B 60 LEU N . 18868 1
240 . 1 1 61 61 ASP H H 1 7.559 0.02 1.000 1 . . . B 61 ASP H . 18868 1
241 . 1 1 61 61 ASP C C 13 178.473 0.20 1.000 1 . . . B 61 ASP C . 18868 1
242 . 1 1 61 61 ASP CA C 13 52.800 0.20 1.000 1 . . . B 61 ASP CA . 18868 1
243 . 1 1 61 61 ASP CB C 13 39.100 0.20 1.000 1 . . . B 61 ASP CB . 18868 1
244 . 1 1 61 61 ASP N N 15 117.835 0.20 1.000 1 . . . B 61 ASP N . 18868 1
245 . 1 1 62 62 ARG H H 1 7.839 0.02 1.000 1 . . . B 62 ARG H . 18868 1
246 . 1 1 62 62 ARG C C 13 178.519 0.20 1.000 1 . . . B 62 ARG C . 18868 1
247 . 1 1 62 62 ARG CA C 13 58.500 0.20 1.000 1 . . . B 62 ARG CA . 18868 1
248 . 1 1 62 62 ARG CB C 13 30.200 0.20 1.000 1 . . . B 62 ARG CB . 18868 1
249 . 1 1 62 62 ARG CD C 13 43.300 0.20 0.155 1 . . . B 62 ARG CD . 18868 1
250 . 1 1 62 62 ARG N N 15 125.783 0.20 1.000 1 . . . B 62 ARG N . 18868 1
251 . 1 1 63 63 ASN H H 1 7.899 0.02 1.000 1 . . . B 63 ASN H . 18868 1
252 . 1 1 63 63 ASN C C 13 175.597 0.20 1.000 1 . . . B 63 ASN C . 18868 1
253 . 1 1 63 63 ASN CA C 13 51.900 0.20 1.000 1 . . . B 63 ASN CA . 18868 1
254 . 1 1 63 63 ASN CB C 13 36.700 0.20 1.000 1 . . . B 63 ASN CB . 18868 1
255 . 1 1 63 63 ASN N N 15 112.348 0.20 1.000 1 . . . B 63 ASN N . 18868 1
256 . 1 1 64 64 LYS H H 1 7.485 0.02 1.000 1 . . . B 64 LYS H . 18868 1
257 . 1 1 64 64 LYS C C 13 176.731 0.20 1.000 1 . . . B 64 LYS C . 18868 1
258 . 1 1 64 64 LYS CA C 13 59.500 0.20 1.000 1 . . . B 64 LYS CA . 18868 1
259 . 1 1 64 64 LYS CE C 13 42.100 0.20 0.161 1 . . . B 64 LYS CE . 18868 1
260 . 1 1 64 64 LYS N N 15 114.407 0.20 1.000 1 . . . B 64 LYS N . 18868 1
261 . 1 1 65 65 ASP H H 1 8.184 0.02 1.000 1 . . . B 65 ASP H . 18868 1
262 . 1 1 65 65 ASP C C 13 177.981 0.20 1.000 1 . . . B 65 ASP C . 18868 1
263 . 1 1 65 65 ASP CA C 13 52.900 0.20 1.000 1 . . . B 65 ASP CA . 18868 1
264 . 1 1 65 65 ASP N N 15 117.880 0.20 1.000 1 . . . B 65 ASP N . 18868 1
265 . 1 1 66 66 GLN H H 1 9.917 0.02 1.000 1 . . . B 66 GLN H . 18868 1
266 . 1 1 66 66 GLN C C 13 175.374 0.20 1.000 1 . . . B 66 GLN C . 18868 1
267 . 1 1 66 66 GLN CA C 13 57.900 0.20 1.000 1 . . . B 66 GLN CA . 18868 1
268 . 1 1 66 66 GLN CB C 13 26.200 0.20 1.000 1 . . . B 66 GLN CB . 18868 1
269 . 1 1 66 66 GLN N N 15 114.037 0.20 1.000 1 . . . B 66 GLN N . 18868 1
270 . 1 1 67 67 GLU H H 1 7.800 0.02 1.000 1 . . . B 67 GLU H . 18868 1
271 . 1 1 67 67 GLU C C 13 176.826 0.20 1.000 1 . . . B 67 GLU C . 18868 1
272 . 1 1 67 67 GLU CA C 13 54.000 0.20 1.000 1 . . . B 67 GLU CA . 18868 1
273 . 1 1 67 67 GLU CB C 13 33.100 0.20 1.000 1 . . . B 67 GLU CB . 18868 1
274 . 1 1 67 67 GLU N N 15 117.611 0.20 1.000 1 . . . B 67 GLU N . 18868 1
275 . 1 1 68 68 VAL H H 1 9.656 0.02 1.000 1 . . . B 68 VAL H . 18868 1
276 . 1 1 68 68 VAL C C 13 177.398 0.20 1.000 1 . . . B 68 VAL C . 18868 1
277 . 1 1 68 68 VAL CA C 13 61.100 0.20 1.000 1 . . . B 68 VAL CA . 18868 1
278 . 1 1 68 68 VAL CB C 13 33.300 0.20 1.000 1 . . . B 68 VAL CB . 18868 1
279 . 1 1 68 68 VAL N N 15 126.064 0.20 1.000 1 . . . B 68 VAL N . 18868 1
280 . 1 1 69 69 ASN H H 1 9.036 0.02 1.000 1 . . . B 69 ASN H . 18868 1
281 . 1 1 69 69 ASN C C 13 175.438 0.20 1.000 1 . . . B 69 ASN C . 18868 1
282 . 1 1 69 69 ASN CA C 13 51.200 0.20 1.000 1 . . . B 69 ASN CA . 18868 1
283 . 1 1 69 69 ASN N N 15 127.002 0.20 1.000 1 . . . B 69 ASN N . 18868 1
284 . 1 1 70 70 PHE H H 1 9.055 0.02 1.000 1 . . . B 70 PHE H . 18868 1
285 . 1 1 70 70 PHE C C 13 177.652 0.20 1.000 1 . . . B 70 PHE C . 18868 1
286 . 1 1 70 70 PHE CA C 13 63.300 0.20 1.000 1 . . . B 70 PHE CA . 18868 1
287 . 1 1 70 70 PHE N N 15 119.437 0.20 1.000 1 . . . B 70 PHE N . 18868 1
288 . 1 1 71 71 GLN H H 1 8.273 0.02 1.000 1 . . . B 71 GLN H . 18868 1
289 . 1 1 71 71 GLN C C 13 180.488 0.20 1.000 1 . . . B 71 GLN C . 18868 1
290 . 1 1 71 71 GLN CA C 13 60.100 0.20 1.000 1 . . . B 71 GLN CA . 18868 1
291 . 1 1 71 71 GLN CB C 13 27.900 0.20 1.000 1 . . . B 71 GLN CB . 18868 1
292 . 1 1 71 71 GLN N N 15 117.576 0.20 1.000 1 . . . B 71 GLN N . 18868 1
293 . 1 1 72 72 GLU H H 1 8.631 0.02 1.000 1 . . . B 72 GLU H . 18868 1
294 . 1 1 72 72 GLU C C 13 179.001 0.20 1.000 1 . . . B 72 GLU C . 18868 1
295 . 1 1 72 72 GLU CA C 13 58.700 0.20 1.000 1 . . . B 72 GLU CA . 18868 1
296 . 1 1 72 72 GLU N N 15 119.971 0.20 1.000 1 . . . B 72 GLU N . 18868 1
297 . 1 1 73 73 TYR H H 1 7.721 0.02 1.000 1 . . . B 73 TYR H . 18868 1
298 . 1 1 73 73 TYR C C 13 180.040 0.20 0.990 1 . . . B 73 TYR C . 18868 1
299 . 1 1 73 73 TYR N N 15 120.475 0.20 1.000 1 . . . B 73 TYR N . 18868 1
300 . 1 1 74 74 VAL H H 1 8.147 0.02 0.990 1 . . . B 74 VAL H . 18868 1
301 . 1 1 74 74 VAL C C 13 178.463 0.20 0.492 1 . . . B 74 VAL C . 18868 1
302 . 1 1 74 74 VAL CA C 13 60.200 0.20 1.000 1 . . . B 74 VAL CA . 18868 1
303 . 1 1 74 74 VAL CB C 13 33.800 0.20 1.000 1 . . . B 74 VAL CB . 18868 1
304 . 1 1 74 74 VAL N N 15 119.604 0.20 0.990 1 . . . B 74 VAL N . 18868 1
305 . 1 1 75 75 THR H H 1 8.234 0.02 0.492 1 . . . B 75 THR H . 18868 1
306 . 1 1 75 75 THR C C 13 179.971 0.20 1.000 1 . . . B 75 THR C . 18868 1
307 . 1 1 75 75 THR CA C 13 60.600 0.20 1.000 1 . . . B 75 THR CA . 18868 1
308 . 1 1 75 75 THR N N 15 116.488 0.20 0.492 1 . . . B 75 THR N . 18868 1
309 . 1 1 76 76 PHE H H 1 7.864 0.02 1.000 1 . . . B 76 PHE H . 18868 1
310 . 1 1 76 76 PHE C C 13 177.695 0.20 1.000 1 . . . B 76 PHE C . 18868 1
311 . 1 1 76 76 PHE CA C 13 60.000 0.20 1.000 1 . . . B 76 PHE CA . 18868 1
312 . 1 1 76 76 PHE N N 15 116.963 0.20 1.000 1 . . . B 76 PHE N . 18868 1
313 . 1 1 77 77 LEU H H 1 7.913 0.02 1.000 1 . . . B 77 LEU H . 18868 1
314 . 1 1 77 77 LEU C C 13 180.668 0.20 1.000 1 . . . B 77 LEU C . 18868 1
315 . 1 1 77 77 LEU CA C 13 57.800 0.20 1.000 1 . . . B 77 LEU CA . 18868 1
316 . 1 1 77 77 LEU N N 15 117.568 0.20 1.000 1 . . . B 77 LEU N . 18868 1
317 . 1 1 78 78 GLY H H 1 8.057 0.02 1.000 1 . . . B 78 GLY H . 18868 1
318 . 1 1 78 78 GLY C C 13 176.062 0.20 1.000 1 . . . B 78 GLY C . 18868 1
319 . 1 1 78 78 GLY CA C 13 47.600 0.20 1.000 1 . . . B 78 GLY CA . 18868 1
320 . 1 1 78 78 GLY N N 15 104.257 0.20 1.000 1 . . . B 78 GLY N . 18868 1
321 . 1 1 79 79 ALA H H 1 7.804 0.02 1.000 1 . . . B 79 ALA H . 18868 1
322 . 1 1 79 79 ALA C C 13 182.313 0.20 1.000 1 . . . B 79 ALA C . 18868 1
323 . 1 1 79 79 ALA CA C 13 55.100 0.20 1.000 1 . . . B 79 ALA CA . 18868 1
324 . 1 1 79 79 ALA N N 15 124.122 0.20 1.000 1 . . . B 79 ALA N . 18868 1
325 . 1 1 80 80 LEU H H 1 8.045 0.02 1.000 1 . . . B 80 LEU H . 18868 1
326 . 1 1 80 80 LEU C C 13 178.389 0.20 1.000 1 . . . B 80 LEU C . 18868 1
327 . 1 1 80 80 LEU CA C 13 57.400 0.20 1.000 1 . . . B 80 LEU CA . 18868 1
328 . 1 1 80 80 LEU N N 15 117.976 0.20 1.000 1 . . . B 80 LEU N . 18868 1
329 . 1 1 81 81 ALA H H 1 8.152 0.02 1.000 1 . . . B 81 ALA H . 18868 1
330 . 1 1 81 81 ALA C C 13 181.617 0.20 1.000 1 . . . B 81 ALA C . 18868 1
331 . 1 1 81 81 ALA CA C 13 55.300 0.20 1.000 1 . . . B 81 ALA CA . 18868 1
332 . 1 1 81 81 ALA N N 15 121.199 0.20 1.000 1 . . . B 81 ALA N . 18868 1
333 . 1 1 82 82 LEU H H 1 7.238 0.02 1.000 1 . . . B 82 LEU H . 18868 1
334 . 1 1 82 82 LEU C C 13 180.828 0.20 1.000 1 . . . B 82 LEU C . 18868 1
335 . 1 1 82 82 LEU CA C 13 58.800 0.20 1.000 1 . . . B 82 LEU CA . 18868 1
336 . 1 1 82 82 LEU N N 15 117.392 0.20 1.000 1 . . . B 82 LEU N . 18868 1
337 . 1 1 83 83 ILE H H 1 8.726 0.02 1.000 1 . . . B 83 ILE H . 18868 1
338 . 1 1 83 83 ILE C C 13 177.495 0.20 1.000 1 . . . B 83 ILE C . 18868 1
339 . 1 1 83 83 ILE CA C 13 60.500 0.20 1.000 1 . . . B 83 ILE CA . 18868 1
340 . 1 1 83 83 ILE N N 15 124.342 0.20 1.000 1 . . . B 83 ILE N . 18868 1
341 . 1 1 84 84 TYR H H 1 8.241 0.02 1.000 1 . . . B 84 TYR H . 18868 1
342 . 1 1 84 84 TYR C C 13 177.236 0.20 1.000 1 . . . B 84 TYR C . 18868 1
343 . 1 1 84 84 TYR CA C 13 56.900 0.20 1.000 1 . . . B 84 TYR CA . 18868 1
344 . 1 1 84 84 TYR N N 15 120.026 0.20 1.000 1 . . . B 84 TYR N . 18868 1
345 . 1 1 85 85 ASN H H 1 7.681 0.02 1.000 1 . . . B 85 ASN H . 18868 1
346 . 1 1 85 85 ASN C C 13 175.508 0.20 1.000 1 . . . B 85 ASN C . 18868 1
347 . 1 1 85 85 ASN CA C 13 56.600 0.20 1.000 1 . . . B 85 ASN CA . 18868 1
348 . 1 1 85 85 ASN N N 15 117.125 0.20 1.000 1 . . . B 85 ASN N . 18868 1
349 . 1 1 86 86 GLU H H 1 8.790 0.02 1.000 1 . . . B 86 GLU H . 18868 1
350 . 1 1 86 86 GLU C C 13 177.821 0.20 0.137 1 . . . B 86 GLU C . 18868 1
351 . 1 1 86 86 GLU N N 15 119.756 0.20 1.000 1 . . . B 86 GLU N . 18868 1
352 . 1 1 87 87 ALA H H 1 7.714 0.02 0.137 1 . . . B 87 ALA H . 18868 1
353 . 1 1 87 87 ALA N N 15 124.638 0.20 0.137 1 . . . B 87 ALA N . 18868 1
354 . 1 1 88 88 LEU H H 1 7.854 0.02 0.187 1 . . . B 88 LEU H . 18868 1
355 . 1 1 88 88 LEU CA C 13 57.900 0.20 1.000 1 . . . B 88 LEU CA . 18868 1
356 . 1 1 88 88 LEU N N 15 118.552 0.20 0.187 1 . . . B 88 LEU N . 18868 1
357 . 1 1 89 89 LYS H H 1 8.384 0.02 0.566 1 . . . B 89 LYS H . 18868 1
358 . 1 1 89 89 LYS C C 13 177.332 0.20 0.990 1 . . . B 89 LYS C . 18868 1
359 . 1 1 89 89 LYS CA C 13 56.900 0.20 1.000 1 . . . B 89 LYS CA . 18868 1
360 . 1 1 89 89 LYS CE C 13 42.100 0.20 0.161 1 . . . B 89 LYS CE . 18868 1
361 . 1 1 89 89 LYS N N 15 118.627 0.20 0.566 1 . . . B 89 LYS N . 18868 1
362 . 1 1 90 90 GLY H H 1 7.685 0.02 0.990 1 . . . B 90 GLY H . 18868 1
363 . 1 1 90 90 GLY N N 15 114.718 0.20 0.990 1 . . . B 90 GLY N . 18868 1
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