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 18668
_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 '3D 1H-15N NOESY' . . . 18668 1
2 '3D 1H-13C NOESY' . . . 18668 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 2 2 GLN C C 13 174.8670 0.70 . 1 . . . A 2 GLN C . 18668 1
2 . 1 1 2 2 GLN CA C 13 54.9012 0.70 . 1 . . . A 2 GLN CA . 18668 1
3 . 1 1 2 2 GLN CB C 13 29.5605 0.70 . 1 . . . A 2 GLN CB . 18668 1
4 . 1 1 3 3 TYR H H 1 8.3277 0.05 . 1 . . . A 3 TYR H . 18668 1
5 . 1 1 3 3 TYR C C 13 174.4983 0.70 . 1 . . . A 3 TYR C . 18668 1
6 . 1 1 3 3 TYR CA C 13 59.4034 0.70 . 1 . . . A 3 TYR CA . 18668 1
7 . 1 1 3 3 TYR CB C 13 38.3163 0.70 . 1 . . . A 3 TYR CB . 18668 1
8 . 1 1 3 3 TYR N N 15 122.9422 0.50 . 1 . . . A 3 TYR N . 18668 1
9 . 1 1 4 4 THR H H 1 7.4337 0.05 . 1 . . . A 4 THR H . 18668 1
10 . 1 1 4 4 THR C C 13 171.5740 0.70 . 1 . . . A 4 THR C . 18668 1
11 . 1 1 4 4 THR CA C 13 58.9379 0.70 . 1 . . . A 4 THR CA . 18668 1
12 . 1 1 4 4 THR CB C 13 69.7448 0.70 . 1 . . . A 4 THR CB . 18668 1
13 . 1 1 4 4 THR N N 15 113.5175 0.50 . 1 . . . A 4 THR N . 18668 1
14 . 1 1 5 5 PRO C C 13 175.1915 0.70 . 1 . . . A 5 PRO C . 18668 1
15 . 1 1 5 5 PRO CA C 13 64.1226 0.70 . 1 . . . A 5 PRO CA . 18668 1
16 . 1 1 5 5 PRO CB C 13 31.9755 0.70 . 1 . . . A 5 PRO CB . 18668 1
17 . 1 1 6 6 ASP H H 1 8.7683 0.05 . 1 . . . A 6 ASP H . 18668 1
18 . 1 1 6 6 ASP C C 13 175.5021 0.70 . 1 . . . A 6 ASP C . 18668 1
19 . 1 1 6 6 ASP CA C 13 55.8262 0.70 . 1 . . . A 6 ASP CA . 18668 1
20 . 1 1 6 6 ASP CB C 13 39.0064 0.70 . 1 . . . A 6 ASP CB . 18668 1
21 . 1 1 6 6 ASP N N 15 116.0113 0.50 . 1 . . . A 6 ASP N . 18668 1
22 . 1 1 7 7 THR H H 1 7.4642 0.05 . 1 . . . A 7 THR H . 18668 1
23 . 1 1 7 7 THR C C 13 171.9814 0.70 . 1 . . . A 7 THR C . 18668 1
24 . 1 1 7 7 THR CA C 13 60.1199 0.70 . 1 . . . A 7 THR CA . 18668 1
25 . 1 1 7 7 THR CB C 13 72.1482 0.70 . 1 . . . A 7 THR CB . 18668 1
26 . 1 1 7 7 THR N N 15 124.4034 0.50 . 1 . . . A 7 THR N . 18668 1
27 . 1 1 8 8 ALA H H 1 7.9270 0.05 . 1 . . . A 8 ALA H . 18668 1
28 . 1 1 8 8 ALA C C 13 175.9591 0.70 . 1 . . . A 8 ALA C . 18668 1
29 . 1 1 8 8 ALA CA C 13 50.6821 0.70 . 1 . . . A 8 ALA CA . 18668 1
30 . 1 1 8 8 ALA CB C 13 21.9060 0.70 . 1 . . . A 8 ALA CB . 18668 1
31 . 1 1 8 8 ALA N N 15 124.1999 0.50 . 1 . . . A 8 ALA N . 18668 1
32 . 1 1 9 9 TRP H H 1 8.3681 0.05 . 1 . . . A 9 TRP H . 18668 1
33 . 1 1 9 9 TRP C C 13 173.4734 0.70 . 1 . . . A 9 TRP C . 18668 1
34 . 1 1 9 9 TRP CA C 13 55.9067 0.70 . 1 . . . A 9 TRP CA . 18668 1
35 . 1 1 9 9 TRP CB C 13 32.9446 0.70 . 1 . . . A 9 TRP CB . 18668 1
36 . 1 1 9 9 TRP N N 15 120.0433 0.50 . 1 . . . A 9 TRP N . 18668 1
37 . 1 1 10 10 LYS H H 1 9.3966 0.05 . 1 . . . A 10 LYS H . 18668 1
38 . 1 1 10 10 LYS C C 13 176.1819 0.70 . 1 . . . A 10 LYS C . 18668 1
39 . 1 1 10 10 LYS CA C 13 54.3476 0.70 . 1 . . . A 10 LYS CA . 18668 1
40 . 1 1 10 10 LYS CB C 13 34.9766 0.70 . 1 . . . A 10 LYS CB . 18668 1
41 . 1 1 10 10 LYS N N 15 122.7609 0.50 . 1 . . . A 10 LYS N . 18668 1
42 . 1 1 11 11 ILE H H 1 8.9394 0.05 . 1 . . . A 11 ILE H . 18668 1
43 . 1 1 11 11 ILE C C 13 177.1475 0.70 . 1 . . . A 11 ILE C . 18668 1
44 . 1 1 11 11 ILE CA C 13 62.1421 0.70 . 1 . . . A 11 ILE CA . 18668 1
45 . 1 1 11 11 ILE CB C 13 38.1689 0.70 . 1 . . . A 11 ILE CB . 18668 1
46 . 1 1 11 11 ILE N N 15 125.5791 0.50 . 1 . . . A 11 ILE N . 18668 1
47 . 1 1 12 12 THR H H 1 9.6961 0.05 . 1 . . . A 12 THR H . 18668 1
48 . 1 1 12 12 THR C C 13 175.3401 0.70 . 1 . . . A 12 THR C . 18668 1
49 . 1 1 12 12 THR CA C 13 61.9736 0.70 . 1 . . . A 12 THR CA . 18668 1
50 . 1 1 12 12 THR CB C 13 68.6726 0.70 . 1 . . . A 12 THR CB . 18668 1
51 . 1 1 12 12 THR N N 15 121.7040 0.50 . 1 . . . A 12 THR N . 18668 1
52 . 1 1 13 13 GLY H H 1 7.7003 0.05 . 1 . . . A 13 GLY H . 18668 1
53 . 1 1 13 13 GLY C C 13 169.5712 0.70 . 1 . . . A 13 GLY C . 18668 1
54 . 1 1 13 13 GLY CA C 13 45.3241 0.70 . 1 . . . A 13 GLY CA . 18668 1
55 . 1 1 13 13 GLY N N 15 109.8988 0.50 . 1 . . . A 13 GLY N . 18668 1
56 . 1 1 14 14 PHE H H 1 8.5201 0.05 . 1 . . . A 14 PHE H . 18668 1
57 . 1 1 14 14 PHE C C 13 175.5382 0.70 . 1 . . . A 14 PHE C . 18668 1
58 . 1 1 14 14 PHE CA C 13 55.4852 0.70 . 1 . . . A 14 PHE CA . 18668 1
59 . 1 1 14 14 PHE CB C 13 42.2136 0.70 . 1 . . . A 14 PHE CB . 18668 1
60 . 1 1 14 14 PHE N N 15 116.9269 0.50 . 1 . . . A 14 PHE N . 18668 1
61 . 1 1 15 15 SER H H 1 8.7620 0.05 . 1 . . . A 15 SER H . 18668 1
62 . 1 1 15 15 SER C C 13 176.6523 0.70 . 1 . . . A 15 SER C . 18668 1
63 . 1 1 15 15 SER CA C 13 58.0969 0.70 . 1 . . . A 15 SER CA . 18668 1
64 . 1 1 15 15 SER CB C 13 64.2362 0.70 . 1 . . . A 15 SER CB . 18668 1
65 . 1 1 15 15 SER N N 15 116.0097 0.50 . 1 . . . A 15 SER N . 18668 1
66 . 1 1 16 16 ARG H H 1 8.9455 0.05 . 1 . . . A 16 ARG H . 18668 1
67 . 1 1 16 16 ARG C C 13 177.1773 0.70 . 1 . . . A 16 ARG C . 18668 1
68 . 1 1 16 16 ARG CA C 13 58.1464 0.70 . 1 . . . A 16 ARG CA . 18668 1
69 . 1 1 16 16 ARG CB C 13 29.7846 0.70 . 1 . . . A 16 ARG CB . 18668 1
70 . 1 1 16 16 ARG N N 15 125.9755 0.50 . 1 . . . A 16 ARG N . 18668 1
71 . 1 1 17 17 GLU H H 1 8.3844 0.05 . 1 . . . A 17 GLU H . 18668 1
72 . 1 1 17 17 GLU C C 13 176.5584 0.70 . 1 . . . A 17 GLU C . 18668 1
73 . 1 1 17 17 GLU CA C 13 56.0544 0.70 . 1 . . . A 17 GLU CA . 18668 1
74 . 1 1 17 17 GLU CB C 13 29.4712 0.70 . 1 . . . A 17 GLU CB . 18668 1
75 . 1 1 17 17 GLU N N 15 116.6265 0.50 . 1 . . . A 17 GLU N . 18668 1
76 . 1 1 18 18 ILE H H 1 7.4828 0.05 . 1 . . . A 18 ILE H . 18668 1
77 . 1 1 18 18 ILE C C 13 173.8788 0.70 . 1 . . . A 18 ILE C . 18668 1
78 . 1 1 18 18 ILE CA C 13 62.1337 0.70 . 1 . . . A 18 ILE CA . 18668 1
79 . 1 1 18 18 ILE CB C 13 39.0905 0.70 . 1 . . . A 18 ILE CB . 18668 1
80 . 1 1 18 18 ILE N N 15 121.0746 0.50 . 1 . . . A 18 ILE N . 18668 1
81 . 1 1 19 19 SER H H 1 8.3842 0.05 . 1 . . . A 19 SER H . 18668 1
82 . 1 1 19 19 SER C C 13 173.8050 0.70 . 1 . . . A 19 SER C . 18668 1
83 . 1 1 19 19 SER CA C 13 56.4149 0.70 . 1 . . . A 19 SER CA . 18668 1
84 . 1 1 19 19 SER CB C 13 63.9839 0.70 . 1 . . . A 19 SER CB . 18668 1
85 . 1 1 19 19 SER N N 15 123.7750 0.50 . 1 . . . A 19 SER N . 18668 1
86 . 1 1 20 20 PRO C C 13 179.4501 0.70 . 1 . . . A 20 PRO C . 18668 1
87 . 1 1 20 20 PRO CA C 13 65.9342 0.70 . 1 . . . A 20 PRO CA . 18668 1
88 . 1 1 20 20 PRO CB C 13 31.6262 0.70 . 1 . . . A 20 PRO CB . 18668 1
89 . 1 1 21 21 ALA H H 1 8.2627 0.05 . 1 . . . A 21 ALA H . 18668 1
90 . 1 1 21 21 ALA C C 13 180.7128 0.70 . 1 . . . A 21 ALA C . 18668 1
91 . 1 1 21 21 ALA CA C 13 55.0387 0.70 . 1 . . . A 21 ALA CA . 18668 1
92 . 1 1 21 21 ALA CB C 13 18.3505 0.70 . 1 . . . A 21 ALA CB . 18668 1
93 . 1 1 21 21 ALA N N 15 118.2520 0.50 . 1 . . . A 21 ALA N . 18668 1
94 . 1 1 22 22 TYR H H 1 7.9333 0.05 . 1 . . . A 22 TYR H . 18668 1
95 . 1 1 22 22 TYR C C 13 177.6179 0.70 . 1 . . . A 22 TYR C . 18668 1
96 . 1 1 22 22 TYR CA C 13 60.4990 0.70 . 1 . . . A 22 TYR CA . 18668 1
97 . 1 1 22 22 TYR CB C 13 37.8320 0.70 . 1 . . . A 22 TYR CB . 18668 1
98 . 1 1 22 22 TYR N N 15 121.2835 0.50 . 1 . . . A 22 TYR N . 18668 1
99 . 1 1 23 23 ARG H H 1 8.3690 0.05 . 1 . . . A 23 ARG H . 18668 1
100 . 1 1 23 23 ARG C C 13 177.3992 0.70 . 1 . . . A 23 ARG C . 18668 1
101 . 1 1 23 23 ARG CA C 13 59.9554 0.70 . 1 . . . A 23 ARG CA . 18668 1
102 . 1 1 23 23 ARG CB C 13 29.8982 0.70 . 1 . . . A 23 ARG CB . 18668 1
103 . 1 1 23 23 ARG N N 15 120.2491 0.50 . 1 . . . A 23 ARG N . 18668 1
104 . 1 1 24 24 GLN H H 1 7.8885 0.05 . 1 . . . A 24 GLN H . 18668 1
105 . 1 1 24 24 GLN C C 13 178.5578 0.70 . 1 . . . A 24 GLN C . 18668 1
106 . 1 1 24 24 GLN CA C 13 58.7697 0.70 . 1 . . . A 24 GLN CA . 18668 1
107 . 1 1 24 24 GLN CB C 13 27.6530 0.70 . 1 . . . A 24 GLN CB . 18668 1
108 . 1 1 24 24 GLN N N 15 115.6458 0.50 . 1 . . . A 24 GLN N . 18668 1
109 . 1 1 25 25 LYS H H 1 7.6874 0.05 . 1 . . . A 25 LYS H . 18668 1
110 . 1 1 25 25 LYS C C 13 179.2768 0.70 . 1 . . . A 25 LYS C . 18668 1
111 . 1 1 25 25 LYS CA C 13 59.5332 0.70 . 1 . . . A 25 LYS CA . 18668 1
112 . 1 1 25 25 LYS CB C 13 31.7826 0.70 . 1 . . . A 25 LYS CB . 18668 1
113 . 1 1 25 25 LYS N N 15 121.2307 0.50 . 1 . . . A 25 LYS N . 18668 1
114 . 1 1 26 26 LEU H H 1 8.1454 0.05 . 1 . . . A 26 LEU H . 18668 1
115 . 1 1 26 26 LEU C C 13 179.7720 0.70 . 1 . . . A 26 LEU C . 18668 1
116 . 1 1 26 26 LEU CA C 13 58.5186 0.70 . 1 . . . A 26 LEU CA . 18668 1
117 . 1 1 26 26 LEU CB C 13 40.5283 0.70 . 1 . . . A 26 LEU CB . 18668 1
118 . 1 1 26 26 LEU N N 15 119.6246 0.50 . 1 . . . A 26 LEU N . 18668 1
119 . 1 1 27 27 LEU H H 1 8.4666 0.05 . 1 . . . A 27 LEU H . 18668 1
120 . 1 1 27 27 LEU C C 13 181.7775 0.70 . 1 . . . A 27 LEU C . 18668 1
121 . 1 1 27 27 LEU CA C 13 58.7110 0.70 . 1 . . . A 27 LEU CA . 18668 1
122 . 1 1 27 27 LEU CB C 13 41.3710 0.70 . 1 . . . A 27 LEU CB . 18668 1
123 . 1 1 27 27 LEU N N 15 120.2223 0.50 . 1 . . . A 27 LEU N . 18668 1
124 . 1 1 28 28 SER H H 1 8.3039 0.05 . 1 . . . A 28 SER H . 18668 1
125 . 1 1 28 28 SER C C 13 175.5836 0.70 . 1 . . . A 28 SER C . 18668 1
126 . 1 1 28 28 SER CA C 13 61.8474 0.70 . 1 . . . A 28 SER CA . 18668 1
127 . 1 1 28 28 SER CB C 13 63.0268 0.70 . 1 . . . A 28 SER CB . 18668 1
128 . 1 1 28 28 SER N N 15 117.3933 0.50 . 1 . . . A 28 SER N . 18668 1
129 . 1 1 29 29 LEU H H 1 7.4493 0.05 . 1 . . . A 29 LEU H . 18668 1
130 . 1 1 29 29 LEU C C 13 176.6401 0.70 . 1 . . . A 29 LEU C . 18668 1
131 . 1 1 29 29 LEU CA C 13 55.3216 0.70 . 1 . . . A 29 LEU CA . 18668 1
132 . 1 1 29 29 LEU CB C 13 42.9591 0.70 . 1 . . . A 29 LEU CB . 18668 1
133 . 1 1 29 29 LEU N N 15 121.0887 0.50 . 1 . . . A 29 LEU N . 18668 1
134 . 1 1 30 30 GLY H H 1 7.8340 0.05 . 1 . . . A 30 GLY H . 18668 1
135 . 1 1 30 30 GLY C C 13 175.2658 0.70 . 1 . . . A 30 GLY C . 18668 1
136 . 1 1 30 30 GLY CA C 13 45.3734 0.70 . 1 . . . A 30 GLY CA . 18668 1
137 . 1 1 30 30 GLY N N 15 104.9446 0.50 . 1 . . . A 30 GLY N . 18668 1
138 . 1 1 31 31 MET H H 1 7.9795 0.05 . 1 . . . A 31 MET H . 18668 1
139 . 1 1 31 31 MET C C 13 172.2452 0.70 . 1 . . . A 31 MET C . 18668 1
140 . 1 1 31 31 MET CA C 13 53.2943 0.70 . 1 . . . A 31 MET CA . 18668 1
141 . 1 1 31 31 MET CB C 13 29.8360 0.70 . 1 . . . A 31 MET CB . 18668 1
142 . 1 1 31 31 MET N N 15 122.8029 0.50 . 1 . . . A 31 MET N . 18668 1
143 . 1 1 32 32 LEU H H 1 6.9687 0.05 . 1 . . . A 32 LEU H . 18668 1
144 . 1 1 32 32 LEU C C 13 175.6867 0.70 . 1 . . . A 32 LEU C . 18668 1
145 . 1 1 32 32 LEU CA C 13 52.4438 0.70 . 1 . . . A 32 LEU CA . 18668 1
146 . 1 1 32 32 LEU CB C 13 42.8839 0.70 . 1 . . . A 32 LEU CB . 18668 1
147 . 1 1 32 32 LEU N N 15 117.4849 0.50 . 1 . . . A 32 LEU N . 18668 1
148 . 1 1 33 33 PRO C C 13 176.7006 0.70 . 1 . . . A 33 PRO C . 18668 1
149 . 1 1 33 33 PRO CA C 13 64.1316 0.70 . 1 . . . A 33 PRO CA . 18668 1
150 . 1 1 33 33 PRO CB C 13 30.5010 0.70 . 1 . . . A 33 PRO CB . 18668 1
151 . 1 1 34 34 GLY H H 1 9.4423 0.05 . 1 . . . A 34 GLY H . 18668 1
152 . 1 1 34 34 GLY C C 13 174.3627 0.70 . 1 . . . A 34 GLY C . 18668 1
153 . 1 1 34 34 GLY CA C 13 45.1750 0.70 . 1 . . . A 34 GLY CA . 18668 1
154 . 1 1 34 34 GLY N N 15 114.6098 0.50 . 1 . . . A 34 GLY N . 18668 1
155 . 1 1 35 35 SER H H 1 8.4712 0.05 . 1 . . . A 35 SER H . 18668 1
156 . 1 1 35 35 SER C C 13 172.0224 0.70 . 1 . . . A 35 SER C . 18668 1
157 . 1 1 35 35 SER CA C 13 58.7734 0.70 . 1 . . . A 35 SER CA . 18668 1
158 . 1 1 35 35 SER CB C 13 65.1901 0.70 . 1 . . . A 35 SER CB . 18668 1
159 . 1 1 35 35 SER N N 15 118.2776 0.50 . 1 . . . A 35 SER N . 18668 1
160 . 1 1 36 36 SER H H 1 8.5301 0.05 . 1 . . . A 36 SER H . 18668 1
161 . 1 1 36 36 SER C C 13 174.1715 0.70 . 1 . . . A 36 SER C . 18668 1
162 . 1 1 36 36 SER CA C 13 57.0003 0.70 . 1 . . . A 36 SER CA . 18668 1
163 . 1 1 36 36 SER CB C 13 66.8787 0.70 . 1 . . . A 36 SER CB . 18668 1
164 . 1 1 36 36 SER N N 15 113.6598 0.50 . 1 . . . A 36 SER N . 18668 1
165 . 1 1 37 37 PHE H H 1 9.2313 0.05 . 1 . . . A 37 PHE H . 18668 1
166 . 1 1 37 37 PHE C C 13 171.9672 0.70 . 1 . . . A 37 PHE C . 18668 1
167 . 1 1 37 37 PHE CA C 13 55.9103 0.70 . 1 . . . A 37 PHE CA . 18668 1
168 . 1 1 37 37 PHE CB C 13 42.7068 0.70 . 1 . . . A 37 PHE CB . 18668 1
169 . 1 1 37 37 PHE N N 15 117.8038 0.50 . 1 . . . A 37 PHE N . 18668 1
170 . 1 1 38 38 ASN H H 1 9.1506 0.05 . 1 . . . A 38 ASN H . 18668 1
171 . 1 1 38 38 ASN C C 13 175.7115 0.70 . 1 . . . A 38 ASN C . 18668 1
172 . 1 1 38 38 ASN CA C 13 51.4279 0.70 . 1 . . . A 38 ASN CA . 18668 1
173 . 1 1 38 38 ASN CB C 13 41.4652 0.70 . 1 . . . A 38 ASN CB . 18668 1
174 . 1 1 38 38 ASN N N 15 117.0778 0.50 . 1 . . . A 38 ASN N . 18668 1
175 . 1 1 39 39 VAL H H 1 9.2776 0.05 . 1 . . . A 39 VAL H . 18668 1
176 . 1 1 39 39 VAL C C 13 175.9096 0.70 . 1 . . . A 39 VAL C . 18668 1
177 . 1 1 39 39 VAL CA C 13 63.2644 0.70 . 1 . . . A 39 VAL CA . 18668 1
178 . 1 1 39 39 VAL CB C 13 31.5024 0.70 . 1 . . . A 39 VAL CB . 18668 1
179 . 1 1 39 39 VAL N N 15 123.7347 0.50 . 1 . . . A 39 VAL N . 18668 1
180 . 1 1 40 40 VAL H H 1 9.1766 0.05 . 1 . . . A 40 VAL H . 18668 1
181 . 1 1 40 40 VAL C C 13 176.2631 0.70 . 1 . . . A 40 VAL C . 18668 1
182 . 1 1 40 40 VAL CA C 13 63.7009 0.70 . 1 . . . A 40 VAL CA . 18668 1
183 . 1 1 40 40 VAL CB C 13 32.9867 0.70 . 1 . . . A 40 VAL CB . 18668 1
184 . 1 1 40 40 VAL N N 15 127.2189 0.50 . 1 . . . A 40 VAL N . 18668 1
185 . 1 1 41 41 ARG H H 1 7.8237 0.05 . 1 . . . A 41 ARG H . 18668 1
186 . 1 1 41 41 ARG C C 13 172.7156 0.70 . 1 . . . A 41 ARG C . 18668 1
187 . 1 1 41 41 ARG CA C 13 55.6539 0.70 . 1 . . . A 41 ARG CA . 18668 1
188 . 1 1 41 41 ARG CB C 13 33.2815 0.70 . 1 . . . A 41 ARG CB . 18668 1
189 . 1 1 41 41 ARG N N 15 116.5638 0.50 . 1 . . . A 41 ARG N . 18668 1
190 . 1 1 42 42 VAL H H 1 8.8244 0.05 . 1 . . . A 42 VAL H . 18668 1
191 . 1 1 42 42 VAL C C 13 174.8944 0.70 . 1 . . . A 42 VAL C . 18668 1
192 . 1 1 42 42 VAL CA C 13 61.6365 0.70 . 1 . . . A 42 VAL CA . 18668 1
193 . 1 1 42 42 VAL CB C 13 34.3349 0.70 . 1 . . . A 42 VAL CB . 18668 1
194 . 1 1 42 42 VAL N N 15 122.8026 0.50 . 1 . . . A 42 VAL N . 18668 1
195 . 1 1 43 43 ALA H H 1 7.8934 0.05 . 1 . . . A 43 ALA H . 18668 1
196 . 1 1 43 43 ALA C C 13 176.0746 0.70 . 1 . . . A 43 ALA C . 18668 1
197 . 1 1 43 43 ALA CA C 13 52.3479 0.70 . 1 . . . A 43 ALA CA . 18668 1
198 . 1 1 43 43 ALA CB C 13 17.2443 0.70 . 1 . . . A 43 ALA CB . 18668 1
199 . 1 1 43 43 ALA N N 15 129.5381 0.50 . 1 . . . A 43 ALA N . 18668 1
200 . 1 1 44 44 PRO C C 13 177.9893 0.70 . 1 . . . A 44 PRO C . 18668 1
201 . 1 1 44 44 PRO CA C 13 66.1704 0.70 . 1 . . . A 44 PRO CA . 18668 1
202 . 1 1 44 44 PRO CB C 13 31.7739 0.70 . 1 . . . A 44 PRO CB . 18668 1
203 . 1 1 45 45 LEU H H 1 8.4515 0.05 . 1 . . . A 45 LEU H . 18668 1
204 . 1 1 45 45 LEU C C 13 178.2417 0.70 . 1 . . . A 45 LEU C . 18668 1
205 . 1 1 45 45 LEU CA C 13 55.5650 0.70 . 1 . . . A 45 LEU CA . 18668 1
206 . 1 1 45 45 LEU CB C 13 40.7897 0.70 . 1 . . . A 45 LEU CB . 18668 1
207 . 1 1 45 45 LEU N N 15 114.7989 0.50 . 1 . . . A 45 LEU N . 18668 1
208 . 1 1 46 46 GLY H H 1 8.6282 0.05 . 1 . . . A 46 GLY H . 18668 1
209 . 1 1 46 46 GLY C C 13 171.7515 0.70 . 1 . . . A 46 GLY C . 18668 1
210 . 1 1 46 46 GLY CA C 13 45.7343 0.70 . 1 . . . A 46 GLY CA . 18668 1
211 . 1 1 46 46 GLY N N 15 108.0553 0.50 . 1 . . . A 46 GLY N . 18668 1
212 . 1 1 47 47 ASP H H 1 6.7647 0.05 . 1 . . . A 47 ASP H . 18668 1
213 . 1 1 47 47 ASP C C 13 174.4735 0.70 . 1 . . . A 47 ASP C . 18668 1
214 . 1 1 47 47 ASP CA C 13 51.8551 0.70 . 1 . . . A 47 ASP CA . 18668 1
215 . 1 1 47 47 ASP CB C 13 45.3979 0.70 . 1 . . . A 47 ASP CB . 18668 1
216 . 1 1 47 47 ASP N N 15 117.3358 0.50 . 1 . . . A 47 ASP N . 18668 1
217 . 1 1 48 48 PRO C C 13 173.7555 0.70 . 1 . . . A 48 PRO C . 18668 1
218 . 1 1 48 48 PRO CA C 13 63.9539 0.70 . 1 . . . A 48 PRO CA . 18668 1
219 . 1 1 48 48 PRO CB C 13 35.5145 0.70 . 1 . . . A 48 PRO CB . 18668 1
220 . 1 1 49 49 ILE H H 1 8.9101 0.05 . 1 . . . A 49 ILE H . 18668 1
221 . 1 1 49 49 ILE C C 13 173.8928 0.70 . 1 . . . A 49 ILE C . 18668 1
222 . 1 1 49 49 ILE CA C 13 61.6893 0.70 . 1 . . . A 49 ILE CA . 18668 1
223 . 1 1 49 49 ILE CB C 13 40.4864 0.70 . 1 . . . A 49 ILE CB . 18668 1
224 . 1 1 49 49 ILE N N 15 117.1891 0.50 . 1 . . . A 49 ILE N . 18668 1
225 . 1 1 50 50 HIS H H 1 9.0809 0.05 . 1 . . . A 50 HIS H . 18668 1
226 . 1 1 50 50 HIS C C 13 175.6867 0.70 . 1 . . . A 50 HIS C . 18668 1
227 . 1 1 50 50 HIS CA C 13 55.3117 0.70 . 1 . . . A 50 HIS CA . 18668 1
228 . 1 1 50 50 HIS CB C 13 31.1646 0.70 . 1 . . . A 50 HIS CB . 18668 1
229 . 1 1 50 50 HIS N N 15 126.9806 0.50 . 1 . . . A 50 HIS N . 18668 1
230 . 1 1 51 51 ILE H H 1 9.2917 0.05 . 1 . . . A 51 ILE H . 18668 1
231 . 1 1 51 51 ILE C C 13 174.9934 0.70 . 1 . . . A 51 ILE C . 18668 1
232 . 1 1 51 51 ILE CA C 13 58.9422 0.70 . 1 . . . A 51 ILE CA . 18668 1
233 . 1 1 51 51 ILE CB C 13 42.3939 0.70 . 1 . . . A 51 ILE CB . 18668 1
234 . 1 1 51 51 ILE N N 15 119.2748 0.50 . 1 . . . A 51 ILE N . 18668 1
235 . 1 1 52 52 GLU H H 1 9.2973 0.05 . 1 . . . A 52 GLU H . 18668 1
236 . 1 1 52 52 GLU C C 13 176.1076 0.70 . 1 . . . A 52 GLU C . 18668 1
237 . 1 1 52 52 GLU CA C 13 55.2746 0.70 . 1 . . . A 52 GLU CA . 18668 1
238 . 1 1 52 52 GLU CB C 13 33.4761 0.70 . 1 . . . A 52 GLU CB . 18668 1
239 . 1 1 52 52 GLU N N 15 121.5746 0.50 . 1 . . . A 52 GLU N . 18668 1
240 . 1 1 53 53 THR H H 1 9.0531 0.05 . 1 . . . A 53 THR H . 18668 1
241 . 1 1 53 53 THR C C 13 173.7802 0.70 . 1 . . . A 53 THR C . 18668 1
242 . 1 1 53 53 THR CA C 13 59.6145 0.70 . 1 . . . A 53 THR CA . 18668 1
243 . 1 1 53 53 THR CB C 13 70.6780 0.70 . 1 . . . A 53 THR CB . 18668 1
244 . 1 1 53 53 THR N N 15 117.7660 0.50 . 1 . . . A 53 THR N . 18668 1
245 . 1 1 54 54 ARG H H 1 9.1817 0.05 . 1 . . . A 54 ARG H . 18668 1
246 . 1 1 54 54 ARG C C 13 176.1527 0.70 . 1 . . . A 54 ARG C . 18668 1
247 . 1 1 54 54 ARG CA C 13 58.1823 0.70 . 1 . . . A 54 ARG CA . 18668 1
248 . 1 1 54 54 ARG CB C 13 29.0539 0.70 . 1 . . . A 54 ARG CB . 18668 1
249 . 1 1 54 54 ARG N N 15 121.9112 0.50 . 1 . . . A 54 ARG N . 18668 1
250 . 1 1 55 55 ARG H H 1 8.5343 0.05 . 1 . . . A 55 ARG H . 18668 1
251 . 1 1 55 55 ARG C C 13 175.8305 0.70 . 1 . . . A 55 ARG C . 18668 1
252 . 1 1 55 55 ARG CA C 13 57.3380 0.70 . 1 . . . A 55 ARG CA . 18668 1
253 . 1 1 55 55 ARG CB C 13 30.9958 0.70 . 1 . . . A 55 ARG CB . 18668 1
254 . 1 1 55 55 ARG N N 15 112.0030 0.50 . 1 . . . A 55 ARG N . 18668 1
255 . 1 1 56 56 VAL H H 1 8.0806 0.05 . 1 . . . A 56 VAL H . 18668 1
256 . 1 1 56 56 VAL C C 13 174.3007 0.70 . 1 . . . A 56 VAL C . 18668 1
257 . 1 1 56 56 VAL CA C 13 61.3837 0.70 . 1 . . . A 56 VAL CA . 18668 1
258 . 1 1 56 56 VAL CB C 13 35.0511 0.70 . 1 . . . A 56 VAL CB . 18668 1
259 . 1 1 56 56 VAL N N 15 118.1296 0.50 . 1 . . . A 56 VAL N . 18668 1
260 . 1 1 57 57 SER H H 1 8.3346 0.05 . 1 . . . A 57 SER H . 18668 1
261 . 1 1 57 57 SER C C 13 173.6093 0.70 . 1 . . . A 57 SER C . 18668 1
262 . 1 1 57 57 SER CA C 13 57.5918 0.70 . 1 . . . A 57 SER CA . 18668 1
263 . 1 1 57 57 SER CB C 13 64.2957 0.70 . 1 . . . A 57 SER CB . 18668 1
264 . 1 1 57 57 SER N N 15 119.4754 0.50 . 1 . . . A 57 SER N . 18668 1
265 . 1 1 58 58 LEU H H 1 8.8224 0.05 . 1 . . . A 58 LEU H . 18668 1
266 . 1 1 58 58 LEU C C 13 174.3002 0.70 . 1 . . . A 58 LEU C . 18668 1
267 . 1 1 58 58 LEU CA C 13 54.2986 0.70 . 1 . . . A 58 LEU CA . 18668 1
268 . 1 1 58 58 LEU CB C 13 46.5753 0.70 . 1 . . . A 58 LEU CB . 18668 1
269 . 1 1 58 58 LEU N N 15 124.5517 0.50 . 1 . . . A 58 LEU N . 18668 1
270 . 1 1 59 59 VAL H H 1 8.1566 0.05 . 1 . . . A 59 VAL H . 18668 1
271 . 1 1 59 59 VAL C C 13 175.3754 0.70 . 1 . . . A 59 VAL C . 18668 1
272 . 1 1 59 59 VAL CA C 13 61.8814 0.70 . 1 . . . A 59 VAL CA . 18668 1
273 . 1 1 59 59 VAL CB C 13 32.0090 0.70 . 1 . . . A 59 VAL CB . 18668 1
274 . 1 1 59 59 VAL N N 15 121.7783 0.50 . 1 . . . A 59 VAL N . 18668 1
275 . 1 1 60 60 LEU H H 1 8.9386 0.05 . 1 . . . A 60 LEU H . 18668 1
276 . 1 1 60 60 LEU C C 13 175.3201 0.70 . 1 . . . A 60 LEU C . 18668 1
277 . 1 1 60 60 LEU CA C 13 52.7987 0.70 . 1 . . . A 60 LEU CA . 18668 1
278 . 1 1 60 60 LEU CB C 13 45.7343 0.70 . 1 . . . A 60 LEU CB . 18668 1
279 . 1 1 60 60 LEU N N 15 127.6844 0.50 . 1 . . . A 60 LEU N . 18668 1
280 . 1 1 61 61 ARG H H 1 8.8697 0.05 . 1 . . . A 61 ARG H . 18668 1
281 . 1 1 61 61 ARG C C 13 178.9054 0.70 . 1 . . . A 61 ARG C . 18668 1
282 . 1 1 61 61 ARG CA C 13 53.9262 0.70 . 1 . . . A 61 ARG CA . 18668 1
283 . 1 1 61 61 ARG CB C 13 29.8689 0.70 . 1 . . . A 61 ARG CB . 18668 1
284 . 1 1 61 61 ARG N N 15 118.1542 0.50 . 1 . . . A 61 ARG N . 18668 1
285 . 1 1 62 62 LYS H H 1 9.7763 0.05 . 1 . . . A 62 LYS H . 18668 1
286 . 1 1 62 62 LYS C C 13 179.3758 0.70 . 1 . . . A 62 LYS C . 18668 1
287 . 1 1 62 62 LYS CA C 13 61.0530 0.70 . 1 . . . A 62 LYS CA . 18668 1
288 . 1 1 62 62 LYS CB C 13 32.0262 0.70 . 1 . . . A 62 LYS CB . 18668 1
289 . 1 1 62 62 LYS N N 15 126.1913 0.50 . 1 . . . A 62 LYS N . 18668 1
290 . 1 1 63 63 LYS H H 1 8.6165 0.05 . 1 . . . A 63 LYS H . 18668 1
291 . 1 1 63 63 LYS C C 13 177.2218 0.70 . 1 . . . A 63 LYS C . 18668 1
292 . 1 1 63 63 LYS CA C 13 58.6889 0.70 . 1 . . . A 63 LYS CA . 18668 1
293 . 1 1 63 63 LYS CB C 13 31.9245 0.70 . 1 . . . A 63 LYS CB . 18668 1
294 . 1 1 63 63 LYS N N 15 115.8541 0.50 . 1 . . . A 63 LYS N . 18668 1
295 . 1 1 64 64 ASP H H 1 7.1508 0.05 . 1 . . . A 64 ASP H . 18668 1
296 . 1 1 64 64 ASP C C 13 177.9374 0.70 . 1 . . . A 64 ASP C . 18668 1
297 . 1 1 64 64 ASP CA C 13 56.9131 0.70 . 1 . . . A 64 ASP CA . 18668 1
298 . 1 1 64 64 ASP CB C 13 41.3671 0.70 . 1 . . . A 64 ASP CB . 18668 1
299 . 1 1 64 64 ASP N N 15 118.6859 0.50 . 1 . . . A 64 ASP N . 18668 1
300 . 1 1 65 65 LEU H H 1 7.5662 0.05 . 1 . . . A 65 LEU H . 18668 1
301 . 1 1 65 65 LEU C C 13 179.3758 0.70 . 1 . . . A 65 LEU C . 18668 1
302 . 1 1 65 65 LEU CA C 13 57.2127 0.70 . 1 . . . A 65 LEU CA . 18668 1
303 . 1 1 65 65 LEU CB C 13 41.4132 0.70 . 1 . . . A 65 LEU CB . 18668 1
304 . 1 1 65 65 LEU N N 15 118.6406 0.50 . 1 . . . A 65 LEU N . 18668 1
305 . 1 1 66 66 ALA H H 1 7.8692 0.05 . 1 . . . A 66 ALA H . 18668 1
306 . 1 1 66 66 ALA C C 13 177.8160 0.70 . 1 . . . A 66 ALA C . 18668 1
307 . 1 1 66 66 ALA CA C 13 53.6707 0.70 . 1 . . . A 66 ALA CA . 18668 1
308 . 1 1 66 66 ALA CB C 13 18.1885 0.70 . 1 . . . A 66 ALA CB . 18668 1
309 . 1 1 66 66 ALA N N 15 119.7244 0.50 . 1 . . . A 66 ALA N . 18668 1
310 . 1 1 67 67 LEU H H 1 7.2932 0.05 . 1 . . . A 67 LEU H . 18668 1
311 . 1 1 67 67 LEU C C 13 175.8393 0.70 . 1 . . . A 67 LEU C . 18668 1
312 . 1 1 67 67 LEU CA C 13 55.3167 0.70 . 1 . . . A 67 LEU CA . 18668 1
313 . 1 1 67 67 LEU CB C 13 41.9188 0.70 . 1 . . . A 67 LEU CB . 18668 1
314 . 1 1 67 67 LEU N N 15 116.6522 0.50 . 1 . . . A 67 LEU N . 18668 1
315 . 1 1 68 68 LEU H H 1 7.6110 0.05 . 1 . . . A 68 LEU H . 18668 1
316 . 1 1 68 68 LEU C C 13 176.2314 0.70 . 1 . . . A 68 LEU C . 18668 1
317 . 1 1 68 68 LEU CA C 13 54.1790 0.70 . 1 . . . A 68 LEU CA . 18668 1
318 . 1 1 68 68 LEU CB C 13 43.4596 0.70 . 1 . . . A 68 LEU CB . 18668 1
319 . 1 1 68 68 LEU N N 15 118.5724 0.50 . 1 . . . A 68 LEU N . 18668 1
320 . 1 1 69 69 GLU H H 1 8.3214 0.05 . 1 . . . A 69 GLU H . 18668 1
321 . 1 1 69 69 GLU C C 13 176.0829 0.70 . 1 . . . A 69 GLU C . 18668 1
322 . 1 1 69 69 GLU CA C 13 55.2376 0.70 . 1 . . . A 69 GLU CA . 18668 1
323 . 1 1 69 69 GLU CB C 13 29.4191 0.70 . 1 . . . A 69 GLU CB . 18668 1
324 . 1 1 69 69 GLU N N 15 122.7639 0.50 . 1 . . . A 69 GLU N . 18668 1
325 . 1 1 70 70 VAL H H 1 8.3711 0.05 . 1 . . . A 70 VAL H . 18668 1
326 . 1 1 70 70 VAL C C 13 175.8105 0.70 . 1 . . . A 70 VAL C . 18668 1
327 . 1 1 70 70 VAL CA C 13 58.9422 0.70 . 1 . . . A 70 VAL CA . 18668 1
328 . 1 1 70 70 VAL CB C 13 37.8729 0.70 . 1 . . . A 70 VAL CB . 18668 1
329 . 1 1 70 70 VAL N N 15 115.1267 0.50 . 1 . . . A 70 VAL N . 18668 1
330 . 1 1 71 71 GLU H H 1 9.1933 0.05 . 1 . . . A 71 GLU H . 18668 1
331 . 1 1 71 71 GLU C C 13 174.8201 0.70 . 1 . . . A 71 GLU C . 18668 1
332 . 1 1 71 71 GLU CA C 13 54.4674 0.70 . 1 . . . A 71 GLU CA . 18668 1
333 . 1 1 71 71 GLU CB C 13 33.9508 0.70 . 1 . . . A 71 GLU CB . 18668 1
334 . 1 1 71 71 GLU N N 15 119.9561 0.50 . 1 . . . A 71 GLU N . 18668 1
335 . 1 1 72 72 ALA H H 1 8.9137 0.05 . 1 . . . A 72 ALA H . 18668 1
336 . 1 1 72 72 ALA C C 13 177.9652 0.70 . 1 . . . A 72 ALA C . 18668 1
337 . 1 1 72 72 ALA CA C 13 53.2010 0.70 . 1 . . . A 72 ALA CA . 18668 1
338 . 1 1 72 72 ALA CB C 13 18.5001 0.70 . 1 . . . A 72 ALA CB . 18668 1
339 . 1 1 72 72 ALA N N 15 127.5184 0.50 . 1 . . . A 72 ALA N . 18668 1
340 . 1 1 73 73 VAL H H 1 7.4333 0.05 . 1 . . . A 73 VAL H . 18668 1
341 . 1 1 73 73 VAL C C 13 175.3401 0.70 . 1 . . . A 73 VAL C . 18668 1
342 . 1 1 73 73 VAL CA C 13 61.3907 0.70 . 1 . . . A 73 VAL CA . 18668 1
343 . 1 1 73 73 VAL CB C 13 33.5287 0.70 . 1 . . . A 73 VAL CB . 18668 1
344 . 1 1 73 73 VAL N N 15 120.1583 0.50 . 1 . . . A 73 VAL N . 18668 1
345 . 1 1 74 74 SER H H 1 8.3484 0.05 . 1 . . . A 74 SER H . 18668 1
346 . 1 1 74 74 SER C C 13 174.3745 0.70 . 1 . . . A 74 SER C . 18668 1
347 . 1 1 74 74 SER CA C 13 58.6856 0.70 . 1 . . . A 74 SER CA . 18668 1
348 . 1 1 74 74 SER CB C 13 63.9839 0.70 . 1 . . . A 74 SER CB . 18668 1
349 . 1 1 74 74 SER N N 15 119.0584 0.50 . 1 . . . A 74 SER N . 18668 1
350 . 1 1 75 75 SER CA C 13 58.4341 0.70 . 1 . . . A 75 SER CA . 18668 1
351 . 1 1 75 75 SER CB C 13 63.7852 0.70 . 1 . . . A 75 SER CB . 18668 1
352 . 1 1 76 76 LEU H H 1 8.2271 0.05 . 1 . . . A 76 LEU H . 18668 1
353 . 1 1 76 76 LEU C C 13 177.5436 0.70 . 1 . . . A 76 LEU C . 18668 1
354 . 1 1 76 76 LEU CA C 13 55.6580 0.70 . 1 . . . A 76 LEU CA . 18668 1
355 . 1 1 76 76 LEU CB C 13 42.2022 0.70 . 1 . . . A 76 LEU CB . 18668 1
356 . 1 1 76 76 LEU N N 15 123.5779 0.50 . 1 . . . A 76 LEU N . 18668 1
357 . 1 1 77 77 GLU H H 1 8.1418 0.05 . 1 . . . A 77 GLU H . 18668 1
358 . 1 1 77 77 GLU C C 13 176.3984 0.70 . 1 . . . A 77 GLU C . 18668 1
359 . 1 1 77 77 GLU CA C 13 56.9151 0.70 . 1 . . . A 77 GLU CA . 18668 1
360 . 1 1 77 77 GLU CB C 13 29.9237 0.70 . 1 . . . A 77 GLU CB . 18668 1
361 . 1 1 77 77 GLU N N 15 120.3606 0.50 . 1 . . . A 77 GLU N . 18668 1
stop_
save_