Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51858
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for P44A at 30 degree celsius'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
9 '2D 1H-15N HSQC' . . . 51858 2
10 '3D HNCACB' . . . 51858 2
11 '3D CC(CO)NH-TOCSY' . . . 51858 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51858 2
3 $software_3 . . 51858 2
4 $software_4 . . 51858 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 GLY CA C 13 45.226 0.014 . 1 . . . . . 2 GLY CA . 51858 2
2 . 1 . 1 3 3 SER H H 1 8.086 0.003 . 1 . . . . . 3 SER H . 51858 2
3 . 1 . 1 3 3 SER CA C 13 57.781 0.025 . 1 . . . . . 3 SER CA . 51858 2
4 . 1 . 1 3 3 SER CB C 13 64.883 0.020 . 1 . . . . . 3 SER CB . 51858 2
5 . 1 . 1 3 3 SER N N 15 115.040 0.016 . 1 . . . . . 3 SER N . 51858 2
6 . 1 . 1 4 4 MET H H 1 8.835 0.002 . 1 . . . . . 4 MET H . 51858 2
7 . 1 . 1 4 4 MET CA C 13 54.899 0.126 . 1 . . . . . 4 MET CA . 51858 2
8 . 1 . 1 4 4 MET CB C 13 35.074 0.048 . 1 . . . . . 4 MET CB . 51858 2
9 . 1 . 1 4 4 MET CG C 13 31.526 0.000 . 1 . . . . . 4 MET CG . 51858 2
10 . 1 . 1 4 4 MET N N 15 122.325 0.015 . 1 . . . . . 4 MET N . 51858 2
11 . 1 . 1 5 5 LYS H H 1 8.278 0.003 . 1 . . . . . 5 LYS H . 51858 2
12 . 1 . 1 5 5 LYS CA C 13 55.205 0.021 . 1 . . . . . 5 LYS CA . 51858 2
13 . 1 . 1 5 5 LYS CB C 13 33.189 0.023 . 1 . . . . . 5 LYS CB . 51858 2
14 . 1 . 1 5 5 LYS CG C 13 24.799 0.000 . 1 . . . . . 5 LYS CG . 51858 2
15 . 1 . 1 5 5 LYS CD C 13 29.195 0.000 . 1 . . . . . 5 LYS CD . 51858 2
16 . 1 . 1 5 5 LYS CE C 13 41.908 0.000 . 1 . . . . . 5 LYS CE . 51858 2
17 . 1 . 1 5 5 LYS N N 15 123.461 0.011 . 1 . . . . . 5 LYS N . 51858 2
18 . 1 . 1 6 6 LEU H H 1 8.807 0.003 . 1 . . . . . 6 LEU H . 51858 2
19 . 1 . 1 6 6 LEU CA C 13 53.838 0.003 . 1 . . . . . 6 LEU CA . 51858 2
20 . 1 . 1 6 6 LEU CB C 13 45.180 0.025 . 1 . . . . . 6 LEU CB . 51858 2
21 . 1 . 1 6 6 LEU CG C 13 27.278 0.000 . 1 . . . . . 6 LEU CG . 51858 2
22 . 1 . 1 6 6 LEU CD1 C 13 25.557 0.000 . 1 . . . . . 6 LEU CD1 . 51858 2
23 . 1 . 1 6 6 LEU CD2 C 13 25.557 0.000 . 1 . . . . . 6 LEU CD2 . 51858 2
24 . 1 . 1 6 6 LEU N N 15 125.585 0.030 . 1 . . . . . 6 LEU N . 51858 2
25 . 1 . 1 7 7 SER H H 1 8.273 0.003 . 1 . . . . . 7 SER H . 51858 2
26 . 1 . 1 7 7 SER CA C 13 56.978 0.023 . 1 . . . . . 7 SER CA . 51858 2
27 . 1 . 1 7 7 SER CB C 13 64.149 0.021 . 1 . . . . . 7 SER CB . 51858 2
28 . 1 . 1 7 7 SER N N 15 117.231 0.034 . 1 . . . . . 7 SER N . 51858 2
29 . 1 . 1 8 8 VAL H H 1 8.802 0.003 . 1 . . . . . 8 VAL H . 51858 2
30 . 1 . 1 8 8 VAL CA C 13 59.528 0.043 . 1 . . . . . 8 VAL CA . 51858 2
31 . 1 . 1 8 8 VAL CB C 13 35.059 0.016 . 1 . . . . . 8 VAL CB . 51858 2
32 . 1 . 1 8 8 VAL CG1 C 13 20.556 0.000 . 1 . . . . . 8 VAL CG1 . 51858 2
33 . 1 . 1 8 8 VAL N N 15 121.850 0.020 . 1 . . . . . 8 VAL N . 51858 2
34 . 1 . 1 9 9 SER H H 1 8.343 0.003 . 1 . . . . . 9 SER H . 51858 2
35 . 1 . 1 9 9 SER CA C 13 57.189 0.047 . 1 . . . . . 9 SER CA . 51858 2
36 . 1 . 1 9 9 SER CB C 13 63.826 0.024 . 1 . . . . . 9 SER CB . 51858 2
37 . 1 . 1 9 9 SER N N 15 120.462 0.032 . 1 . . . . . 9 SER N . 51858 2
38 . 1 . 1 10 10 LEU H H 1 8.532 0.003 . 1 . . . . . 10 LEU H . 51858 2
39 . 1 . 1 10 10 LEU CA C 13 52.796 0.014 . 1 . . . . . 10 LEU CA . 51858 2
40 . 1 . 1 10 10 LEU CB C 13 46.552 0.097 . 1 . . . . . 10 LEU CB . 51858 2
41 . 1 . 1 10 10 LEU CG C 13 26.769 0.000 . 1 . . . . . 10 LEU CG . 51858 2
42 . 1 . 1 10 10 LEU CD1 C 13 23.735 0.000 . 1 . . . . . 10 LEU CD1 . 51858 2
43 . 1 . 1 10 10 LEU N N 15 124.821 0.021 . 1 . . . . . 10 LEU N . 51858 2
44 . 1 . 1 11 11 SER H H 1 9.360 0.004 . 1 . . . . . 11 SER H . 51858 2
45 . 1 . 1 11 11 SER CA C 13 57.274 0.012 . 1 . . . . . 11 SER CA . 51858 2
46 . 1 . 1 11 11 SER CB C 13 65.286 0.009 . 1 . . . . . 11 SER CB . 51858 2
47 . 1 . 1 11 11 SER N N 15 118.230 0.020 . 1 . . . . . 11 SER N . 51858 2
48 . 1 . 1 12 12 ASP H H 1 8.531 0.003 . 1 . . . . . 12 ASP H . 51858 2
49 . 1 . 1 12 12 ASP CA C 13 57.632 0.051 . 1 . . . . . 12 ASP CA . 51858 2
50 . 1 . 1 12 12 ASP CB C 13 39.987 0.032 . 1 . . . . . 12 ASP CB . 51858 2
51 . 1 . 1 12 12 ASP N N 15 121.230 0.007 . 1 . . . . . 12 ASP N . 51858 2
52 . 1 . 1 13 13 ASP H H 1 8.167 0.003 . 1 . . . . . 13 ASP H . 51858 2
53 . 1 . 1 13 13 ASP CA C 13 57.133 0.054 . 1 . . . . . 13 ASP CA . 51858 2
54 . 1 . 1 13 13 ASP CB C 13 40.739 0.015 . 1 . . . . . 13 ASP CB . 51858 2
55 . 1 . 1 13 13 ASP N N 15 119.400 0.010 . 1 . . . . . 13 ASP N . 51858 2
56 . 1 . 1 14 14 ASP H H 1 7.648 0.002 . 1 . . . . . 14 ASP H . 51858 2
57 . 1 . 1 14 14 ASP CA C 13 57.382 0.012 . 1 . . . . . 14 ASP CA . 51858 2
58 . 1 . 1 14 14 ASP CB C 13 41.435 0.015 . 1 . . . . . 14 ASP CB . 51858 2
59 . 1 . 1 14 14 ASP N N 15 120.778 0.043 . 1 . . . . . 14 ASP N . 51858 2
60 . 1 . 1 15 15 VAL H H 1 8.131 0.004 . 1 . . . . . 15 VAL H . 51858 2
61 . 1 . 1 15 15 VAL CA C 13 66.741 0.044 . 1 . . . . . 15 VAL CA . 51858 2
62 . 1 . 1 15 15 VAL CB C 13 31.483 0.043 . 1 . . . . . 15 VAL CB . 51858 2
63 . 1 . 1 15 15 VAL N N 15 119.527 0.059 . 1 . . . . . 15 VAL N . 51858 2
64 . 1 . 1 16 16 ALA H H 1 7.728 0.004 . 1 . . . . . 16 ALA H . 51858 2
65 . 1 . 1 16 16 ALA CA C 13 55.359 0.011 . 1 . . . . . 16 ALA CA . 51858 2
66 . 1 . 1 16 16 ALA CB C 13 17.695 0.046 . 1 . . . . . 16 ALA CB . 51858 2
67 . 1 . 1 16 16 ALA N N 15 121.390 0.014 . 1 . . . . . 16 ALA N . 51858 2
68 . 1 . 1 17 17 ILE H H 1 7.510 0.003 . 1 . . . . . 17 ILE H . 51858 2
69 . 1 . 1 17 17 ILE CA C 13 64.634 0.059 . 1 . . . . . 17 ILE CA . 51858 2
70 . 1 . 1 17 17 ILE CB C 13 37.752 0.026 . 1 . . . . . 17 ILE CB . 51858 2
71 . 1 . 1 17 17 ILE CG2 C 13 18.222 0.000 . 1 . . . . . 17 ILE CG2 . 51858 2
72 . 1 . 1 17 17 ILE CD1 C 13 13.186 0.000 . 1 . . . . . 17 ILE CD1 . 51858 2
73 . 1 . 1 17 17 ILE N N 15 120.186 0.012 . 1 . . . . . 17 ILE N . 51858 2
74 . 1 . 1 18 18 LEU H H 1 7.918 0.005 . 1 . . . . . 18 LEU H . 51858 2
75 . 1 . 1 18 18 LEU CA C 13 58.103 0.054 . 1 . . . . . 18 LEU CA . 51858 2
76 . 1 . 1 18 18 LEU CB C 13 42.266 0.022 . 1 . . . . . 18 LEU CB . 51858 2
77 . 1 . 1 18 18 LEU CG C 13 27.226 0.000 . 1 . . . . . 18 LEU CG . 51858 2
78 . 1 . 1 18 18 LEU CD1 C 13 25.862 0.000 . 2 . . . . . 18 LEU CD1 . 51858 2
79 . 1 . 1 18 18 LEU CD2 C 13 22.539 0.000 . 2 . . . . . 18 LEU CD2 . 51858 2
80 . 1 . 1 18 18 LEU N N 15 122.352 0.045 . 1 . . . . . 18 LEU N . 51858 2
81 . 1 . 1 19 19 ASP H H 1 9.205 0.006 . 1 . . . . . 19 ASP H . 51858 2
82 . 1 . 1 19 19 ASP CA C 13 57.327 0.084 . 1 . . . . . 19 ASP CA . 51858 2
83 . 1 . 1 19 19 ASP CB C 13 39.470 0.009 . 1 . . . . . 19 ASP CB . 51858 2
84 . 1 . 1 19 19 ASP N N 15 119.129 0.035 . 1 . . . . . 19 ASP N . 51858 2
85 . 1 . 1 20 20 ALA H H 1 7.886 0.002 . 1 . . . . . 20 ALA H . 51858 2
86 . 1 . 1 20 20 ALA CA C 13 55.000 0.019 . 1 . . . . . 20 ALA CA . 51858 2
87 . 1 . 1 20 20 ALA CB C 13 17.826 0.025 . 1 . . . . . 20 ALA CB . 51858 2
88 . 1 . 1 20 20 ALA N N 15 123.455 0.021 . 1 . . . . . 20 ALA N . 51858 2
89 . 1 . 1 21 21 TYR H H 1 8.126 0.004 . 1 . . . . . 21 TYR H . 51858 2
90 . 1 . 1 21 21 TYR CA C 13 62.191 0.032 . 1 . . . . . 21 TYR CA . 51858 2
91 . 1 . 1 21 21 TYR CB C 13 38.404 0.017 . 1 . . . . . 21 TYR CB . 51858 2
92 . 1 . 1 21 21 TYR N N 15 121.518 0.031 . 1 . . . . . 21 TYR N . 51858 2
93 . 1 . 1 22 22 VAL H H 1 8.708 0.008 . 1 . . . . . 22 VAL H . 51858 2
94 . 1 . 1 22 22 VAL CA C 13 67.022 0.047 . 1 . . . . . 22 VAL CA . 51858 2
95 . 1 . 1 22 22 VAL CB C 13 32.019 0.000 . 1 . . . . . 22 VAL CB . 51858 2
96 . 1 . 1 22 22 VAL N N 15 119.070 0.037 . 1 . . . . . 22 VAL N . 51858 2
97 . 1 . 1 23 23 LYS H H 1 7.564 0.004 . 1 . . . . . 23 LYS H . 51858 2
98 . 1 . 1 23 23 LYS CA C 13 58.927 0.012 . 1 . . . . . 23 LYS CA . 51858 2
99 . 1 . 1 23 23 LYS CB C 13 32.538 0.057 . 1 . . . . . 23 LYS CB . 51858 2
100 . 1 . 1 23 23 LYS CG C 13 24.749 0.000 . 1 . . . . . 23 LYS CG . 51858 2
101 . 1 . 1 23 23 LYS CD C 13 29.241 0.000 . 1 . . . . . 23 LYS CD . 51858 2
102 . 1 . 1 23 23 LYS CE C 13 42.071 0.000 . 1 . . . . . 23 LYS CE . 51858 2
103 . 1 . 1 23 23 LYS N N 15 117.129 0.006 . 1 . . . . . 23 LYS N . 51858 2
104 . 1 . 1 24 24 ARG H H 1 7.891 0.004 . 1 . . . . . 24 ARG H . 51858 2
105 . 1 . 1 24 24 ARG CA C 13 58.923 0.031 . 1 . . . . . 24 ARG CA . 51858 2
106 . 1 . 1 24 24 ARG CB C 13 30.054 0.010 . 1 . . . . . 24 ARG CB . 51858 2
107 . 1 . 1 24 24 ARG CG C 13 27.172 0.000 . 1 . . . . . 24 ARG CG . 51858 2
108 . 1 . 1 24 24 ARG CD C 13 43.498 0.000 . 1 . . . . . 24 ARG CD . 51858 2
109 . 1 . 1 24 24 ARG N N 15 120.675 0.020 . 1 . . . . . 24 ARG N . 51858 2
110 . 1 . 1 25 25 ALA H H 1 8.391 0.003 . 1 . . . . . 25 ALA H . 51858 2
111 . 1 . 1 25 25 ALA CA C 13 51.877 0.040 . 1 . . . . . 25 ALA CA . 51858 2
112 . 1 . 1 25 25 ALA CB C 13 18.486 0.022 . 1 . . . . . 25 ALA CB . 51858 2
113 . 1 . 1 25 25 ALA N N 15 118.801 0.017 . 1 . . . . . 25 ALA N . 51858 2
114 . 1 . 1 26 26 GLY H H 1 7.422 0.004 . 1 . . . . . 26 GLY H . 51858 2
115 . 1 . 1 26 26 GLY CA C 13 46.553 0.023 . 1 . . . . . 26 GLY CA . 51858 2
116 . 1 . 1 26 26 GLY N N 15 107.990 0.011 . 1 . . . . . 26 GLY N . 51858 2
117 . 1 . 1 27 27 LEU H H 1 7.907 0.003 . 1 . . . . . 27 LEU H . 51858 2
118 . 1 . 1 27 27 LEU CA C 13 52.349 0.000 . 1 . . . . . 27 LEU CA . 51858 2
119 . 1 . 1 27 27 LEU CB C 13 42.389 0.000 . 1 . . . . . 27 LEU CB . 51858 2
120 . 1 . 1 27 27 LEU N N 15 118.510 0.018 . 1 . . . . . 27 LEU N . 51858 2
121 . 1 . 1 29 29 SER H H 1 6.726 0.005 . 1 . . . . . 29 SER H . 51858 2
122 . 1 . 1 29 29 SER CA C 13 56.563 0.000 . 1 . . . . . 29 SER CA . 51858 2
123 . 1 . 1 29 29 SER CB C 13 66.182 0.000 . 1 . . . . . 29 SER CB . 51858 2
124 . 1 . 1 29 29 SER N N 15 108.516 0.007 . 1 . . . . . 29 SER N . 51858 2
125 . 1 . 1 30 30 ARG HE H 1 9.802 0.004 . 1 . . . . . 30 ARG HE . 51858 2
126 . 1 . 1 30 30 ARG CG C 13 28.708 0.000 . 1 . . . . . 30 ARG CG . 51858 2
127 . 1 . 1 30 30 ARG CD C 13 43.757 0.012 . 1 . . . . . 30 ARG CD . 51858 2
128 . 1 . 1 30 30 ARG NE N 15 85.180 0.000 . 1 . . . . . 30 ARG NE . 51858 2
129 . 1 . 1 31 31 SER H H 1 8.364 0.001 . 1 . . . . . 31 SER H . 51858 2
130 . 1 . 1 31 31 SER CB C 13 63.205 0.000 . 1 . . . . . 31 SER CB . 51858 2
131 . 1 . 1 31 31 SER N N 15 114.818 0.011 . 1 . . . . . 31 SER N . 51858 2
132 . 1 . 1 33 33 GLY H H 1 7.581 0.003 . 1 . . . . . 33 GLY H . 51858 2
133 . 1 . 1 33 33 GLY CA C 13 47.539 0.031 . 1 . . . . . 33 GLY CA . 51858 2
134 . 1 . 1 33 33 GLY N N 15 103.874 0.017 . 1 . . . . . 33 GLY N . 51858 2
135 . 1 . 1 34 34 LEU H H 1 8.014 0.010 . 1 . . . . . 34 LEU H . 51858 2
136 . 1 . 1 34 34 LEU CA C 13 57.394 0.035 . 1 . . . . . 34 LEU CA . 51858 2
137 . 1 . 1 34 34 LEU CB C 13 41.703 0.093 . 1 . . . . . 34 LEU CB . 51858 2
138 . 1 . 1 34 34 LEU CG C 13 26.986 0.000 . 1 . . . . . 34 LEU CG . 51858 2
139 . 1 . 1 34 34 LEU CD1 C 13 25.764 0.000 . 2 . . . . . 34 LEU CD1 . 51858 2
140 . 1 . 1 34 34 LEU CD2 C 13 24.351 0.000 . 2 . . . . . 34 LEU CD2 . 51858 2
141 . 1 . 1 34 34 LEU N N 15 121.435 0.014 . 1 . . . . . 34 LEU N . 51858 2
142 . 1 . 1 35 35 GLN H H 1 7.972 0.004 . 1 . . . . . 35 GLN H . 51858 2
143 . 1 . 1 35 35 GLN HE21 H 1 7.874 0.000 . 1 . . . . . 35 GLN HE21 . 51858 2
144 . 1 . 1 35 35 GLN HE22 H 1 6.716 0.000 . 1 . . . . . 35 GLN HE22 . 51858 2
145 . 1 . 1 35 35 GLN CA C 13 59.827 0.054 . 1 . . . . . 35 GLN CA . 51858 2
146 . 1 . 1 35 35 GLN CB C 13 28.168 0.000 . 1 . . . . . 35 GLN CB . 51858 2
147 . 1 . 1 35 35 GLN CG C 13 34.559 0.000 . 1 . . . . . 35 GLN CG . 51858 2
148 . 1 . 1 35 35 GLN N N 15 118.072 0.056 . 1 . . . . . 35 GLN N . 51858 2
149 . 1 . 1 35 35 GLN NE2 N 15 112.169 0.025 . 1 . . . . . 35 GLN NE2 . 51858 2
150 . 1 . 1 42 42 ARG CA C 13 58.719 0.000 . 1 . . . . . 42 ARG CA . 51858 2
151 . 1 . 1 42 42 ARG CB C 13 30.142 0.000 . 1 . . . . . 42 ARG CB . 51858 2
152 . 1 . 1 42 42 ARG CG C 13 27.241 0.000 . 1 . . . . . 42 ARG CG . 51858 2
153 . 1 . 1 42 42 ARG CD C 13 43.512 0.000 . 1 . . . . . 42 ARG CD . 51858 2
154 . 1 . 1 45 45 THR CA C 13 61.875 0.000 . 1 . . . . . 45 THR CA . 51858 2
155 . 1 . 1 46 46 LEU CA C 13 55.119 0.197 . 1 . . . . . 46 LEU CA . 51858 2
156 . 1 . 1 46 46 LEU CB C 13 42.643 0.007 . 1 . . . . . 46 LEU CB . 51858 2
157 . 1 . 1 46 46 LEU CG C 13 26.865 0.000 . 1 . . . . . 46 LEU CG . 51858 2
158 . 1 . 1 46 46 LEU CD1 C 13 25.246 0.000 . 2 . . . . . 46 LEU CD1 . 51858 2
159 . 1 . 1 46 46 LEU CD2 C 13 23.362 0.000 . 2 . . . . . 46 LEU CD2 . 51858 2
160 . 1 . 1 49 49 ASP CA C 13 54.633 0.075 . 1 . . . . . 49 ASP CA . 51858 2
161 . 1 . 1 49 49 ASP CB C 13 41.051 0.102 . 1 . . . . . 49 ASP CB . 51858 2
162 . 1 . 1 50 50 TYR H H 1 7.792 0.005 . 1 . . . . . 50 TYR H . 51858 2
163 . 1 . 1 50 50 TYR CA C 13 58.604 0.022 . 1 . . . . . 50 TYR CA . 51858 2
164 . 1 . 1 50 50 TYR CB C 13 37.834 0.074 . 1 . . . . . 50 TYR CB . 51858 2
165 . 1 . 1 50 50 TYR N N 15 119.953 0.024 . 1 . . . . . 50 TYR N . 51858 2
166 . 1 . 1 51 51 ALA H H 1 7.985 0.003 . 1 . . . . . 51 ALA H . 51858 2
167 . 1 . 1 51 51 ALA CA C 13 53.714 0.000 . 1 . . . . . 51 ALA CA . 51858 2
168 . 1 . 1 51 51 ALA CB C 13 18.617 0.172 . 1 . . . . . 51 ALA CB . 51858 2
169 . 1 . 1 51 51 ALA N N 15 122.885 0.026 . 1 . . . . . 51 ALA N . 51858 2
170 . 1 . 1 52 52 ASN H H 1 8.018 0.006 . 1 . . . . . 52 ASN H . 51858 2
171 . 1 . 1 52 52 ASN HD21 H 1 7.591 0.000 . 1 . . . . . 52 ASN HD21 . 51858 2
172 . 1 . 1 52 52 ASN HD22 H 1 6.800 0.000 . 1 . . . . . 52 ASN HD22 . 51858 2
173 . 1 . 1 52 52 ASN CA C 13 54.127 0.002 . 1 . . . . . 52 ASN CA . 51858 2
174 . 1 . 1 52 52 ASN CB C 13 38.782 0.094 . 1 . . . . . 52 ASN CB . 51858 2
175 . 1 . 1 52 52 ASN N N 15 116.308 0.015 . 1 . . . . . 52 ASN N . 51858 2
176 . 1 . 1 52 52 ASN ND2 N 15 113.145 0.001 . 1 . . . . . 52 ASN ND2 . 51858 2
177 . 1 . 1 53 53 ALA H H 1 7.917 0.004 . 1 . . . . . 53 ALA H . 51858 2
178 . 1 . 1 53 53 ALA CA C 13 53.722 0.062 . 1 . . . . . 53 ALA CA . 51858 2
179 . 1 . 1 53 53 ALA CB C 13 18.647 0.010 . 1 . . . . . 53 ALA CB . 51858 2
180 . 1 . 1 53 53 ALA N N 15 123.486 0.026 . 1 . . . . . 53 ALA N . 51858 2
181 . 1 . 1 54 54 TRP H H 1 7.855 0.004 . 1 . . . . . 54 TRP H . 51858 2
182 . 1 . 1 54 54 TRP HE1 H 1 9.906 0.000 . 1 . . . . . 54 TRP HE1 . 51858 2
183 . 1 . 1 54 54 TRP CA C 13 58.519 0.000 . 1 . . . . . 54 TRP CA . 51858 2
184 . 1 . 1 54 54 TRP CB C 13 29.176 0.098 . 1 . . . . . 54 TRP CB . 51858 2
185 . 1 . 1 54 54 TRP N N 15 118.316 0.064 . 1 . . . . . 54 TRP N . 51858 2
186 . 1 . 1 54 54 TRP NE1 N 15 128.579 0.000 . 1 . . . . . 54 TRP NE1 . 51858 2
187 . 1 . 1 55 55 GLN H H 1 7.709 0.003 . 1 . . . . . 55 GLN H . 51858 2
188 . 1 . 1 55 55 GLN HE21 H 1 7.239 0.004 . 1 . . . . . 55 GLN HE21 . 51858 2
189 . 1 . 1 55 55 GLN HE22 H 1 6.681 0.004 . 1 . . . . . 55 GLN HE22 . 51858 2
190 . 1 . 1 55 55 GLN CA C 13 57.106 0.000 . 1 . . . . . 55 GLN CA . 51858 2
191 . 1 . 1 55 55 GLN CB C 13 28.955 0.079 . 1 . . . . . 55 GLN CB . 51858 2
192 . 1 . 1 55 55 GLN CG C 13 33.494 0.102 . 1 . . . . . 55 GLN CG . 51858 2
193 . 1 . 1 55 55 GLN N N 15 120.520 0.045 . 1 . . . . . 55 GLN N . 51858 2
194 . 1 . 1 55 55 GLN NE2 N 15 111.083 0.034 . 1 . . . . . 55 GLN NE2 . 51858 2
195 . 1 . 1 57 57 TRP H H 1 7.978 0.003 . 1 . . . . . 57 TRP H . 51858 2
196 . 1 . 1 57 57 TRP HE1 H 1 9.861 0.000 . 1 . . . . . 57 TRP HE1 . 51858 2
197 . 1 . 1 57 57 TRP CA C 13 57.729 0.000 . 1 . . . . . 57 TRP CA . 51858 2
198 . 1 . 1 57 57 TRP CB C 13 29.597 0.042 . 1 . . . . . 57 TRP CB . 51858 2
199 . 1 . 1 57 57 TRP N N 15 121.230 0.040 . 1 . . . . . 57 TRP N . 51858 2
200 . 1 . 1 57 57 TRP NE1 N 15 128.930 0.000 . 1 . . . . . 57 TRP NE1 . 51858 2
201 . 1 . 1 58 58 SER H H 1 7.906 0.003 . 1 . . . . . 58 SER H . 51858 2
202 . 1 . 1 58 58 SER CA C 13 58.444 0.000 . 1 . . . . . 58 SER CA . 51858 2
203 . 1 . 1 58 58 SER CB C 13 63.607 0.000 . 1 . . . . . 58 SER CB . 51858 2
204 . 1 . 1 58 58 SER N N 15 116.171 0.027 . 1 . . . . . 58 SER N . 51858 2
205 . 1 . 1 59 59 ALA CA C 13 52.621 0.000 . 1 . . . . . 59 ALA CA . 51858 2
206 . 1 . 1 59 59 ALA CB C 13 19.066 0.000 . 1 . . . . . 59 ALA CB . 51858 2
207 . 1 . 1 61 61 GLY H H 1 7.944 0.003 . 1 . . . . . 61 GLY H . 51858 2
208 . 1 . 1 61 61 GLY CA C 13 45.297 0.000 . 1 . . . . . 61 GLY CA . 51858 2
209 . 1 . 1 61 61 GLY N N 15 107.060 0.014 . 1 . . . . . 61 GLY N . 51858 2
210 . 1 . 1 62 62 ASP H H 1 8.098 0.000 . 1 . . . . . 62 ASP H . 51858 2
211 . 1 . 1 62 62 ASP CA C 13 54.276 0.020 . 1 . . . . . 62 ASP CA . 51858 2
212 . 1 . 1 62 62 ASP CB C 13 41.160 0.010 . 1 . . . . . 62 ASP CB . 51858 2
213 . 1 . 1 62 62 ASP N N 15 120.381 0.021 . 1 . . . . . 62 ASP N . 51858 2
214 . 1 . 1 63 63 THR H H 1 7.982 0.002 . 1 . . . . . 63 THR H . 51858 2
215 . 1 . 1 63 63 THR CA C 13 62.091 0.033 . 1 . . . . . 63 THR CA . 51858 2
216 . 1 . 1 63 63 THR CB C 13 69.658 0.014 . 1 . . . . . 63 THR CB . 51858 2
217 . 1 . 1 63 63 THR CG2 C 13 21.456 0.000 . 1 . . . . . 63 THR CG2 . 51858 2
218 . 1 . 1 63 63 THR N N 15 113.665 0.011 . 1 . . . . . 63 THR N . 51858 2
219 . 1 . 1 64 64 ASP H H 1 8.215 0.002 . 1 . . . . . 64 ASP H . 51858 2
220 . 1 . 1 64 64 ASP CA C 13 54.621 0.017 . 1 . . . . . 64 ASP CA . 51858 2
221 . 1 . 1 64 64 ASP CB C 13 41.100 0.017 . 1 . . . . . 64 ASP CB . 51858 2
222 . 1 . 1 64 64 ASP N N 15 122.483 0.005 . 1 . . . . . 64 ASP N . 51858 2
223 . 1 . 1 65 65 ALA H H 1 7.964 0.002 . 1 . . . . . 65 ALA H . 51858 2
224 . 1 . 1 65 65 ALA CA C 13 52.673 0.036 . 1 . . . . . 65 ALA CA . 51858 2
225 . 1 . 1 65 65 ALA CB C 13 19.031 0.022 . 1 . . . . . 65 ALA CB . 51858 2
226 . 1 . 1 65 65 ALA N N 15 123.595 0.008 . 1 . . . . . 65 ALA N . 51858 2
227 . 1 . 1 66 66 TRP H H 1 7.919 0.003 . 1 . . . . . 66 TRP H . 51858 2
228 . 1 . 1 66 66 TRP HE1 H 1 9.997 0.000 . 1 . . . . . 66 TRP HE1 . 51858 2
229 . 1 . 1 66 66 TRP CA C 13 57.324 0.061 . 1 . . . . . 66 TRP CA . 51858 2
230 . 1 . 1 66 66 TRP CB C 13 29.466 0.019 . 1 . . . . . 66 TRP CB . 51858 2
231 . 1 . 1 66 66 TRP N N 15 119.941 0.017 . 1 . . . . . 66 TRP N . 51858 2
232 . 1 . 1 66 66 TRP NE1 N 15 129.232 0.000 . 1 . . . . . 66 TRP NE1 . 51858 2
233 . 1 . 1 67 67 GLU H H 1 8.042 0.005 . 1 . . . . . 67 GLU H . 51858 2
234 . 1 . 1 67 67 GLU CA C 13 56.646 0.045 . 1 . . . . . 67 GLU CA . 51858 2
235 . 1 . 1 67 67 GLU CB C 13 30.429 0.063 . 1 . . . . . 67 GLU CB . 51858 2
236 . 1 . 1 67 67 GLU CG C 13 36.090 0.000 . 1 . . . . . 67 GLU CG . 51858 2
237 . 1 . 1 67 67 GLU N N 15 121.976 0.019 . 1 . . . . . 67 GLU N . 51858 2
238 . 1 . 1 68 68 GLN H H 1 8.085 0.002 . 1 . . . . . 68 GLN H . 51858 2
239 . 1 . 1 68 68 GLN HE21 H 1 7.404 0.004 . 1 . . . . . 68 GLN HE21 . 51858 2
240 . 1 . 1 68 68 GLN HE22 H 1 6.718 0.003 . 1 . . . . . 68 GLN HE22 . 51858 2
241 . 1 . 1 68 68 GLN CA C 13 55.861 0.023 . 1 . . . . . 68 GLN CA . 51858 2
242 . 1 . 1 68 68 GLN CB C 13 29.420 0.038 . 1 . . . . . 68 GLN CB . 51858 2
243 . 1 . 1 68 68 GLN CG C 13 33.749 0.023 . 1 . . . . . 68 GLN CG . 51858 2
244 . 1 . 1 68 68 GLN N N 15 120.812 0.046 . 1 . . . . . 68 GLN N . 51858 2
245 . 1 . 1 68 68 GLN NE2 N 15 111.702 0.051 . 1 . . . . . 68 GLN NE2 . 51858 2
246 . 1 . 1 69 69 THR H H 1 8.106 0.002 . 1 . . . . . 69 THR H . 51858 2
247 . 1 . 1 69 69 THR CA C 13 61.908 0.016 . 1 . . . . . 69 THR CA . 51858 2
248 . 1 . 1 69 69 THR CB C 13 69.807 0.006 . 1 . . . . . 69 THR CB . 51858 2
249 . 1 . 1 69 69 THR CG2 C 13 21.623 0.000 . 1 . . . . . 69 THR CG2 . 51858 2
250 . 1 . 1 69 69 THR N N 15 115.963 0.010 . 1 . . . . . 69 THR N . 51858 2
251 . 1 . 1 70 70 VAL H H 1 8.063 0.002 . 1 . . . . . 70 VAL H . 51858 2
252 . 1 . 1 70 70 VAL CA C 13 62.304 0.050 . 1 . . . . . 70 VAL CA . 51858 2
253 . 1 . 1 70 70 VAL CB C 13 32.810 0.010 . 1 . . . . . 70 VAL CB . 51858 2
254 . 1 . 1 70 70 VAL CG1 C 13 20.678 0.000 . 2 . . . . . 70 VAL CG1 . 51858 2
255 . 1 . 1 70 70 VAL CG2 C 13 20.937 0.000 . 2 . . . . . 70 VAL CG2 . 51858 2
256 . 1 . 1 70 70 VAL N N 15 122.166 0.014 . 1 . . . . . 70 VAL N . 51858 2
257 . 1 . 1 71 71 GLY H H 1 8.275 0.002 . 1 . . . . . 71 GLY H . 51858 2
258 . 1 . 1 71 71 GLY CA C 13 45.154 0.011 . 1 . . . . . 71 GLY CA . 51858 2
259 . 1 . 1 71 71 GLY N N 15 112.160 0.013 . 1 . . . . . 71 GLY N . 51858 2
260 . 1 . 1 72 72 ASP H H 1 8.176 0.003 . 1 . . . . . 72 ASP H . 51858 2
261 . 1 . 1 72 72 ASP CA C 13 54.379 0.018 . 1 . . . . . 72 ASP CA . 51858 2
262 . 1 . 1 72 72 ASP CB C 13 41.253 0.023 . 1 . . . . . 72 ASP CB . 51858 2
263 . 1 . 1 72 72 ASP N N 15 120.359 0.007 . 1 . . . . . 72 ASP N . 51858 2
264 . 1 . 1 73 73 GLY H H 1 8.349 0.003 . 1 . . . . . 73 GLY H . 51858 2
265 . 1 . 1 73 73 GLY CA C 13 45.467 0.024 . 1 . . . . . 73 GLY CA . 51858 2
266 . 1 . 1 73 73 GLY N N 15 109.237 0.004 . 1 . . . . . 73 GLY N . 51858 2
267 . 1 . 1 74 74 VAL H H 1 7.899 0.002 . 1 . . . . . 74 VAL H . 51858 2
268 . 1 . 1 74 74 VAL CA C 13 62.575 0.023 . 1 . . . . . 74 VAL CA . 51858 2
269 . 1 . 1 74 74 VAL CB C 13 32.503 0.044 . 1 . . . . . 74 VAL CB . 51858 2
270 . 1 . 1 74 74 VAL CG1 C 13 21.023 0.000 . 2 . . . . . 74 VAL CG1 . 51858 2
271 . 1 . 1 74 74 VAL CG2 C 13 20.613 0.000 . 2 . . . . . 74 VAL CG2 . 51858 2
272 . 1 . 1 74 74 VAL N N 15 119.035 0.007 . 1 . . . . . 74 VAL N . 51858 2
273 . 1 . 1 75 75 GLY H H 1 8.384 0.002 . 1 . . . . . 75 GLY H . 51858 2
274 . 1 . 1 75 75 GLY CA C 13 45.204 0.018 . 1 . . . . . 75 GLY CA . 51858 2
275 . 1 . 1 75 75 GLY N N 15 111.998 0.009 . 1 . . . . . 75 GLY N . 51858 2
276 . 1 . 1 76 76 ASP H H 1 8.062 0.003 . 1 . . . . . 76 ASP H . 51858 2
277 . 1 . 1 76 76 ASP CA C 13 54.029 0.043 . 1 . . . . . 76 ASP CA . 51858 2
278 . 1 . 1 76 76 ASP CB C 13 41.285 0.024 . 1 . . . . . 76 ASP CB . 51858 2
279 . 1 . 1 76 76 ASP N N 15 120.411 0.007 . 1 . . . . . 76 ASP N . 51858 2
280 . 1 . 1 77 77 ALA H H 1 8.016 0.002 . 1 . . . . . 77 ALA H . 51858 2
281 . 1 . 1 77 77 ALA CA C 13 50.473 0.000 . 1 . . . . . 77 ALA CA . 51858 2
282 . 1 . 1 77 77 ALA CB C 13 18.234 0.000 . 1 . . . . . 77 ALA CB . 51858 2
283 . 1 . 1 77 77 ALA N N 15 125.076 0.007 . 1 . . . . . 77 ALA N . 51858 2
284 . 1 . 1 78 78 PRO CA C 13 63.229 0.005 . 1 . . . . . 78 PRO CA . 51858 2
285 . 1 . 1 78 78 PRO CB C 13 31.914 0.000 . 1 . . . . . 78 PRO CB . 51858 2
286 . 1 . 1 78 78 PRO CG C 13 27.328 0.000 . 1 . . . . . 78 PRO CG . 51858 2
287 . 1 . 1 78 78 PRO CD C 13 50.427 0.000 . 1 . . . . . 78 PRO CD . 51858 2
288 . 1 . 1 79 79 ARG H H 1 7.877 0.002 . 1 . . . . . 79 ARG H . 51858 2
289 . 1 . 1 79 79 ARG CA C 13 57.232 0.000 . 1 . . . . . 79 ARG CA . 51858 2
290 . 1 . 1 79 79 ARG CB C 13 31.675 0.000 . 1 . . . . . 79 ARG CB . 51858 2
291 . 1 . 1 79 79 ARG N N 15 126.468 0.014 . 1 . . . . . 79 ARG N . 51858 2
stop_
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