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 50305
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'assigned NaK1K Na+'
_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 $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
10 '2D NCA' . . . 50305 2
11 '2D NCO' . . . 50305 2
12 '2D 13C/13C PDSD' . . . 50305 2
13 '3D NCACO' . . . 50305 2
14 '3D NCACB' . . . 50305 2
15 '3D NCOCA' . . . 50305 2
16 '3D CANCO' . . . 50305 2
17 '3D NCOCACB' . . . 50305 2
18 '3D NCACX' . . . 50305 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 . . 50305 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 12 12 VAL C C 13 178.027 0.130 . 1 . . . . . 29 VAL C . 50305 2
2 . 1 . 1 12 12 VAL CA C 13 67.374 0.088 . 1 . . . . . 29 VAL CA . 50305 2
3 . 1 . 1 12 12 VAL CB C 13 31.290 0.000 . 1 . . . . . 29 VAL CB . 50305 2
4 . 1 . 1 12 12 VAL N N 15 118.413 0.517 . 1 . . . . . 29 VAL N . 50305 2
5 . 1 . 1 13 13 LEU C C 13 180.209 0.066 . 1 . . . . . 30 LEU C . 50305 2
6 . 1 . 1 13 13 LEU CA C 13 58.157 0.126 . 1 . . . . . 30 LEU CA . 50305 2
7 . 1 . 1 13 13 LEU CB C 13 41.568 0.000 . 1 . . . . . 30 LEU CB . 50305 2
8 . 1 . 1 13 13 LEU CG C 13 26.267 0.000 . 1 . . . . . 30 LEU CG . 50305 2
9 . 1 . 1 13 13 LEU N N 15 118.342 0.175 . 1 . . . . . 30 LEU N . 50305 2
10 . 1 . 1 14 14 THR C C 13 176.236 0.058 . 1 . . . . . 31 THR C . 50305 2
11 . 1 . 1 14 14 THR CA C 13 68.503 0.051 . 1 . . . . . 31 THR CA . 50305 2
12 . 1 . 1 14 14 THR CB C 13 67.962 0.000 . 1 . . . . . 31 THR CB . 50305 2
13 . 1 . 1 14 14 THR N N 15 120.891 0.268 . 1 . . . . . 31 THR N . 50305 2
14 . 1 . 1 15 15 ILE C C 13 178.181 0.072 . 1 . . . . . 32 ILE C . 50305 2
15 . 1 . 1 15 15 ILE CA C 13 64.936 0.198 . 1 . . . . . 32 ILE CA . 50305 2
16 . 1 . 1 15 15 ILE CB C 13 36.497 0.132 . 1 . . . . . 32 ILE CB . 50305 2
17 . 1 . 1 15 15 ILE N N 15 121.415 0.263 . 1 . . . . . 32 ILE N . 50305 2
18 . 1 . 1 16 16 LEU C C 13 180.201 0.067 . 1 . . . . . 33 LEU C . 50305 2
19 . 1 . 1 16 16 LEU CA C 13 58.140 0.108 . 1 . . . . . 33 LEU CA . 50305 2
20 . 1 . 1 16 16 LEU CB C 13 41.616 0.048 . 1 . . . . . 33 LEU CB . 50305 2
21 . 1 . 1 16 16 LEU CG C 13 26.267 0.000 . 1 . . . . . 33 LEU CG . 50305 2
22 . 1 . 1 16 16 LEU N N 15 118.478 0.306 . 1 . . . . . 33 LEU N . 50305 2
23 . 1 . 1 17 17 THR C C 13 179.333 0.123 . 1 . . . . . 34 THR C . 50305 2
24 . 1 . 1 17 17 THR CA C 13 68.623 0.065 . 1 . . . . . 34 THR CA . 50305 2
25 . 1 . 1 17 17 THR CB C 13 67.899 0.127 . 1 . . . . . 34 THR CB . 50305 2
26 . 1 . 1 17 17 THR N N 15 121.325 0.121 . 1 . . . . . 34 THR N . 50305 2
27 . 1 . 1 18 18 LEU C C 13 180.504 0.022 . 1 . . . . . 35 LEU C . 50305 2
28 . 1 . 1 18 18 LEU CA C 13 58.264 0.103 . 1 . . . . . 35 LEU CA . 50305 2
29 . 1 . 1 18 18 LEU CB C 13 42.362 0.000 . 1 . . . . . 35 LEU CB . 50305 2
30 . 1 . 1 18 18 LEU N N 15 126.129 0.203 . 1 . . . . . 35 LEU N . 50305 2
31 . 1 . 1 19 19 ILE C C 13 177.147 0.112 . 1 . . . . . 36 ILE C . 50305 2
32 . 1 . 1 19 19 ILE CA C 13 66.359 0.075 . 1 . . . . . 36 ILE CA . 50305 2
33 . 1 . 1 19 19 ILE CB C 13 38.193 0.041 . 1 . . . . . 36 ILE CB . 50305 2
34 . 1 . 1 19 19 ILE N N 15 122.583 0.117 . 1 . . . . . 36 ILE N . 50305 2
35 . 1 . 1 20 20 SER C C 13 176.083 0.071 . 1 . . . . . 37 SER C . 50305 2
36 . 1 . 1 20 20 SER CA C 13 64.069 0.089 . 1 . . . . . 37 SER CA . 50305 2
37 . 1 . 1 20 20 SER CB C 13 63.221 0.027 . 1 . . . . . 37 SER CB . 50305 2
38 . 1 . 1 20 20 SER N N 15 116.421 0.260 . 1 . . . . . 37 SER N . 50305 2
39 . 1 . 1 21 21 GLY C C 13 175.000 0.082 . 1 . . . . . 38 GLY C . 50305 2
40 . 1 . 1 21 21 GLY CA C 13 47.046 0.193 . 1 . . . . . 38 GLY CA . 50305 2
41 . 1 . 1 21 21 GLY N N 15 107.463 0.079 . 1 . . . . . 38 GLY N . 50305 2
42 . 1 . 1 22 22 THR C C 13 177.422 0.077 . 1 . . . . . 39 THR C . 50305 2
43 . 1 . 1 22 22 THR CA C 13 67.822 0.071 . 1 . . . . . 39 THR CA . 50305 2
44 . 1 . 1 22 22 THR CB C 13 68.186 0.104 . 1 . . . . . 39 THR CB . 50305 2
45 . 1 . 1 22 22 THR CG2 C 13 20.690 0.000 . 1 . . . . . 39 THR CG2 . 50305 2
46 . 1 . 1 22 22 THR N N 15 118.699 0.034 . 1 . . . . . 39 THR N . 50305 2
47 . 1 . 1 23 23 ILE C C 13 178.026 0.094 . 1 . . . . . 40 ILE C . 50305 2
48 . 1 . 1 23 23 ILE CA C 13 65.489 0.189 . 1 . . . . . 40 ILE CA . 50305 2
49 . 1 . 1 23 23 ILE CB C 13 38.186 0.074 . 1 . . . . . 40 ILE CB . 50305 2
50 . 1 . 1 23 23 ILE CG1 C 13 29.299 0.062 . 1 . . . . . 40 ILE CG1 . 50305 2
51 . 1 . 1 23 23 ILE N N 15 120.359 0.243 . 1 . . . . . 40 ILE N . 50305 2
52 . 1 . 1 24 24 PHE C C 13 176.924 0.066 . 1 . . . . . 41 PHE C . 50305 2
53 . 1 . 1 24 24 PHE CA C 13 63.510 0.135 . 1 . . . . . 41 PHE CA . 50305 2
54 . 1 . 1 24 24 PHE CB C 13 38.129 0.000 . 1 . . . . . 41 PHE CB . 50305 2
55 . 1 . 1 24 24 PHE N N 15 121.812 0.276 . 1 . . . . . 41 PHE N . 50305 2
56 . 1 . 1 25 25 TYR C C 13 178.396 0.151 . 1 . . . . . 42 TYR C . 50305 2
57 . 1 . 1 25 25 TYR CA C 13 62.980 0.105 . 1 . . . . . 42 TYR CA . 50305 2
58 . 1 . 1 25 25 TYR CB C 13 37.707 0.204 . 1 . . . . . 42 TYR CB . 50305 2
59 . 1 . 1 25 25 TYR N N 15 116.024 0.046 . 1 . . . . . 42 TYR N . 50305 2
60 . 1 . 1 26 26 SER CA C 13 60.699 0.117 . 1 . . . . . 43 SER CA . 50305 2
61 . 1 . 1 26 26 SER CB C 13 64.095 0.081 . 1 . . . . . 43 SER CB . 50305 2
62 . 1 . 1 26 26 SER N N 15 113.448 0.351 . 1 . . . . . 43 SER N . 50305 2
63 . 1 . 1 28 28 VAL C C 13 176.916 0.062 . 1 . . . . . 45 VAL C . 50305 2
64 . 1 . 1 28 28 VAL CA C 13 65.146 0.076 . 1 . . . . . 45 VAL CA . 50305 2
65 . 1 . 1 28 28 VAL CB C 13 31.599 0.016 . 1 . . . . . 45 VAL CB . 50305 2
66 . 1 . 1 28 28 VAL CG1 C 13 22.509 0.000 . 2 . . . . . 45 VAL CG1 . 50305 2
67 . 1 . 1 28 28 VAL CG2 C 13 21.265 0.000 . 2 . . . . . 45 VAL CG2 . 50305 2
68 . 1 . 1 28 28 VAL N N 15 120.848 0.000 . 1 . . . . . 45 VAL N . 50305 2
69 . 1 . 1 29 29 GLU C C 13 176.786 0.028 . 1 . . . . . 46 GLU C . 50305 2
70 . 1 . 1 29 29 GLU CA C 13 55.551 0.073 . 1 . . . . . 46 GLU CA . 50305 2
71 . 1 . 1 29 29 GLU CB C 13 29.494 0.076 . 1 . . . . . 46 GLU CB . 50305 2
72 . 1 . 1 29 29 GLU CG C 13 36.241 0.021 . 1 . . . . . 46 GLU CG . 50305 2
73 . 1 . 1 29 29 GLU CD C 13 180.890 0.105 . 1 . . . . . 46 GLU CD . 50305 2
74 . 1 . 1 29 29 GLU N N 15 111.980 0.206 . 1 . . . . . 46 GLU N . 50305 2
75 . 1 . 1 30 30 GLY C C 13 174.099 0.045 . 1 . . . . . 47 GLY C . 50305 2
76 . 1 . 1 30 30 GLY CA C 13 46.692 0.052 . 1 . . . . . 47 GLY CA . 50305 2
77 . 1 . 1 30 30 GLY N N 15 105.637 0.066 . 1 . . . . . 47 GLY N . 50305 2
78 . 1 . 1 31 31 LEU C C 13 177.983 0.063 . 1 . . . . . 48 LEU C . 50305 2
79 . 1 . 1 31 31 LEU CA C 13 54.105 0.068 . 1 . . . . . 48 LEU CA . 50305 2
80 . 1 . 1 31 31 LEU CB C 13 43.670 0.079 . 1 . . . . . 48 LEU CB . 50305 2
81 . 1 . 1 31 31 LEU CG C 13 26.062 0.108 . 1 . . . . . 48 LEU CG . 50305 2
82 . 1 . 1 31 31 LEU CD1 C 13 23.994 0.005 . 2 . . . . . 48 LEU CD1 . 50305 2
83 . 1 . 1 31 31 LEU CD2 C 13 21.253 0.012 . 2 . . . . . 48 LEU CD2 . 50305 2
84 . 1 . 1 31 31 LEU N N 15 118.751 0.156 . 1 . . . . . 48 LEU N . 50305 2
85 . 1 . 1 32 32 ARG C C 13 176.690 0.059 . 1 . . . . . 49 ARG C . 50305 2
86 . 1 . 1 32 32 ARG CA C 13 55.277 0.103 . 1 . . . . . 49 ARG CA . 50305 2
87 . 1 . 1 32 32 ARG CB C 13 30.370 0.095 . 1 . . . . . 49 ARG CB . 50305 2
88 . 1 . 1 32 32 ARG CG C 13 27.493 0.169 . 1 . . . . . 49 ARG CG . 50305 2
89 . 1 . 1 32 32 ARG CD C 13 43.794 0.110 . 1 . . . . . 49 ARG CD . 50305 2
90 . 1 . 1 32 32 ARG N N 15 121.379 0.272 . 1 . . . . . 49 ARG N . 50305 2
91 . 1 . 1 33 33 PRO C C 13 177.835 0.133 . 1 . . . . . 50 PRO C . 50305 2
92 . 1 . 1 33 33 PRO CA C 13 66.669 0.061 . 1 . . . . . 50 PRO CA . 50305 2
93 . 1 . 1 33 33 PRO CB C 13 31.858 0.004 . 1 . . . . . 50 PRO CB . 50305 2
94 . 1 . 1 33 33 PRO CG C 13 27.981 0.029 . 1 . . . . . 50 PRO CG . 50305 2
95 . 1 . 1 33 33 PRO CD C 13 49.937 0.046 . 1 . . . . . 50 PRO CD . 50305 2
96 . 1 . 1 33 33 PRO N N 15 136.432 0.000 . 1 . . . . . 50 PRO N . 50305 2
97 . 1 . 1 34 34 ILE C C 13 175.484 0.078 . 1 . . . . . 51 ILE C . 50305 2
98 . 1 . 1 34 34 ILE CA C 13 63.928 0.110 . 1 . . . . . 51 ILE CA . 50305 2
99 . 1 . 1 34 34 ILE CB C 13 37.105 0.020 . 1 . . . . . 51 ILE CB . 50305 2
100 . 1 . 1 34 34 ILE N N 15 115.026 0.110 . 1 . . . . . 51 ILE N . 50305 2
101 . 1 . 1 35 35 ASP C C 13 178.828 0.110 . 1 . . . . . 52 ASP C . 50305 2
102 . 1 . 1 35 35 ASP CA C 13 56.719 0.060 . 1 . . . . . 52 ASP CA . 50305 2
103 . 1 . 1 35 35 ASP CB C 13 40.529 0.057 . 1 . . . . . 52 ASP CB . 50305 2
104 . 1 . 1 35 35 ASP N N 15 122.752 0.054 . 1 . . . . . 52 ASP N . 50305 2
105 . 1 . 1 36 36 ALA C C 13 180.210 0.094 . 1 . . . . . 53 ALA C . 50305 2
106 . 1 . 1 36 36 ALA CA C 13 54.748 0.074 . 1 . . . . . 53 ALA CA . 50305 2
107 . 1 . 1 36 36 ALA CB C 13 21.282 0.143 . 1 . . . . . 53 ALA CB . 50305 2
108 . 1 . 1 36 36 ALA N N 15 126.468 0.181 . 1 . . . . . 53 ALA N . 50305 2
109 . 1 . 1 37 37 LEU C C 13 178.006 0.066 . 1 . . . . . 54 LEU C . 50305 2
110 . 1 . 1 37 37 LEU CA C 13 57.777 0.081 . 1 . . . . . 54 LEU CA . 50305 2
111 . 1 . 1 37 37 LEU CB C 13 40.316 0.065 . 1 . . . . . 54 LEU CB . 50305 2
112 . 1 . 1 37 37 LEU CG C 13 27.408 0.046 . 1 . . . . . 54 LEU CG . 50305 2
113 . 1 . 1 37 37 LEU CD1 C 13 26.834 0.000 . 2 . . . . . 54 LEU CD1 . 50305 2
114 . 1 . 1 37 37 LEU CD2 C 13 22.706 0.021 . 2 . . . . . 54 LEU CD2 . 50305 2
115 . 1 . 1 37 37 LEU N N 15 123.398 0.087 . 1 . . . . . 54 LEU N . 50305 2
116 . 1 . 1 38 38 TYR C C 13 176.901 0.038 . 1 . . . . . 55 TYR C . 50305 2
117 . 1 . 1 38 38 TYR CA C 13 63.575 0.100 . 1 . . . . . 55 TYR CA . 50305 2
118 . 1 . 1 38 38 TYR CB C 13 39.238 0.008 . 1 . . . . . 55 TYR CB . 50305 2
119 . 1 . 1 38 38 TYR N N 15 120.938 0.343 . 1 . . . . . 55 TYR N . 50305 2
120 . 1 . 1 39 39 PHE C C 13 178.725 0.042 . 1 . . . . . 56 PHE C . 50305 2
121 . 1 . 1 39 39 PHE CA C 13 61.530 0.101 . 1 . . . . . 56 PHE CA . 50305 2
122 . 1 . 1 39 39 PHE CB C 13 38.112 0.067 . 1 . . . . . 56 PHE CB . 50305 2
123 . 1 . 1 39 39 PHE N N 15 116.685 0.074 . 1 . . . . . 56 PHE N . 50305 2
124 . 1 . 1 40 40 SER C C 13 177.269 0.000 . 1 . . . . . 57 SER C . 50305 2
125 . 1 . 1 40 40 SER CA C 13 64.383 0.112 . 1 . . . . . 57 SER CA . 50305 2
126 . 1 . 1 40 40 SER CB C 13 62.629 0.023 . 1 . . . . . 57 SER CB . 50305 2
127 . 1 . 1 40 40 SER N N 15 118.572 0.119 . 1 . . . . . 57 SER N . 50305 2
128 . 1 . 1 41 41 VAL C C 13 179.100 0.084 . 1 . . . . . 58 VAL C . 50305 2
129 . 1 . 1 41 41 VAL CA C 13 67.308 0.130 . 1 . . . . . 58 VAL CA . 50305 2
130 . 1 . 1 41 41 VAL CB C 13 31.450 0.148 . 1 . . . . . 58 VAL CB . 50305 2
131 . 1 . 1 41 41 VAL CG1 C 13 21.415 0.000 . 1 . . . . . 58 VAL CG1 . 50305 2
132 . 1 . 1 41 41 VAL N N 15 118.995 0.299 . 1 . . . . . 58 VAL N . 50305 2
133 . 1 . 1 42 42 VAL C C 13 179.239 0.074 . 1 . . . . . 59 VAL C . 50305 2
134 . 1 . 1 42 42 VAL CA C 13 65.713 0.090 . 1 . . . . . 59 VAL CA . 50305 2
135 . 1 . 1 42 42 VAL CB C 13 30.665 0.059 . 1 . . . . . 59 VAL CB . 50305 2
136 . 1 . 1 42 42 VAL N N 15 113.960 0.163 . 1 . . . . . 59 VAL N . 50305 2
137 . 1 . 1 43 43 THR C C 13 174.719 0.190 . 1 . . . . . 60 THR C . 50305 2
138 . 1 . 1 43 43 THR CA C 13 67.923 0.089 . 1 . . . . . 60 THR CA . 50305 2
139 . 1 . 1 43 43 THR CB C 13 68.489 0.000 . 1 . . . . . 60 THR CB . 50305 2
140 . 1 . 1 43 43 THR N N 15 121.628 0.120 . 1 . . . . . 60 THR N . 50305 2
141 . 1 . 1 44 44 LEU C C 13 175.498 0.059 . 1 . . . . . 61 LEU C . 50305 2
142 . 1 . 1 44 44 LEU CA C 13 56.986 0.136 . 1 . . . . . 61 LEU CA . 50305 2
143 . 1 . 1 44 44 LEU CG C 13 26.068 0.048 . 1 . . . . . 61 LEU CG . 50305 2
144 . 1 . 1 44 44 LEU N N 15 116.157 0.110 . 1 . . . . . 61 LEU N . 50305 2
145 . 1 . 1 52 52 PHE C C 13 172.833 0.076 . 1 . . . . . 69 PHE C . 50305 2
146 . 1 . 1 52 52 PHE CA C 13 57.462 0.124 . 1 . . . . . 69 PHE CA . 50305 2
147 . 1 . 1 52 52 PHE CB C 13 43.442 0.050 . 1 . . . . . 69 PHE CB . 50305 2
148 . 1 . 1 52 52 PHE N N 15 119.114 0.367 . 1 . . . . . 69 PHE N . 50305 2
149 . 1 . 1 53 53 SER C C 13 170.163 0.087 . 1 . . . . . 70 SER C . 50305 2
150 . 1 . 1 53 53 SER CA C 13 56.186 0.133 . 1 . . . . . 70 SER CA . 50305 2
151 . 1 . 1 53 53 SER CB C 13 63.676 0.046 . 1 . . . . . 70 SER CB . 50305 2
152 . 1 . 1 53 53 SER N N 15 118.562 0.087 . 1 . . . . . 70 SER N . 50305 2
153 . 1 . 1 54 54 PRO C C 13 175.981 0.037 . 1 . . . . . 71 PRO C . 50305 2
154 . 1 . 1 54 54 PRO CA C 13 63.460 0.063 . 1 . . . . . 71 PRO CA . 50305 2
155 . 1 . 1 54 54 PRO CB C 13 31.686 0.020 . 1 . . . . . 71 PRO CB . 50305 2
156 . 1 . 1 54 54 PRO CG C 13 28.418 0.028 . 1 . . . . . 71 PRO CG . 50305 2
157 . 1 . 1 54 54 PRO CD C 13 50.710 0.038 . 1 . . . . . 71 PRO CD . 50305 2
158 . 1 . 1 54 54 PRO N N 15 133.477 0.000 . 1 . . . . . 71 PRO N . 50305 2
159 . 1 . 1 55 55 GLN C C 13 177.940 0.047 . 1 . . . . . 72 GLN C . 50305 2
160 . 1 . 1 55 55 GLN CA C 13 54.838 0.094 . 1 . . . . . 72 GLN CA . 50305 2
161 . 1 . 1 55 55 GLN CB C 13 31.763 0.062 . 1 . . . . . 72 GLN CB . 50305 2
162 . 1 . 1 55 55 GLN CG C 13 33.999 0.041 . 1 . . . . . 72 GLN CG . 50305 2
163 . 1 . 1 55 55 GLN CD C 13 180.409 0.182 . 1 . . . . . 72 GLN CD . 50305 2
164 . 1 . 1 55 55 GLN N N 15 121.388 0.112 . 1 . . . . . 72 GLN N . 50305 2
165 . 1 . 1 56 56 THR C C 13 175.283 0.059 . 1 . . . . . 73 THR C . 50305 2
166 . 1 . 1 56 56 THR CA C 13 60.342 0.078 . 1 . . . . . 73 THR CA . 50305 2
167 . 1 . 1 56 56 THR CB C 13 71.587 0.066 . 1 . . . . . 73 THR CB . 50305 2
168 . 1 . 1 56 56 THR CG2 C 13 21.547 0.095 . 1 . . . . . 73 THR CG2 . 50305 2
169 . 1 . 1 56 56 THR N N 15 115.705 0.174 . 1 . . . . . 73 THR N . 50305 2
170 . 1 . 1 57 57 ASP C C 13 178.955 0.066 . 1 . . . . . 74 ASP C . 50305 2
171 . 1 . 1 57 57 ASP CA C 13 57.989 0.068 . 1 . . . . . 74 ASP CA . 50305 2
172 . 1 . 1 57 57 ASP CB C 13 39.154 0.052 . 1 . . . . . 74 ASP CB . 50305 2
173 . 1 . 1 57 57 ASP N N 15 125.649 0.098 . 1 . . . . . 74 ASP N . 50305 2
174 . 1 . 1 58 58 PHE C C 13 177.870 0.172 . 1 . . . . . 75 PHE C . 50305 2
175 . 1 . 1 58 58 PHE CA C 13 58.539 0.105 . 1 . . . . . 75 PHE CA . 50305 2
176 . 1 . 1 58 58 PHE N N 15 119.371 0.101 . 1 . . . . . 75 PHE N . 50305 2
177 . 1 . 1 59 59 GLY C C 13 178.172 0.065 . 1 . . . . . 76 GLY C . 50305 2
178 . 1 . 1 59 59 GLY CA C 13 46.795 0.071 . 1 . . . . . 76 GLY CA . 50305 2
179 . 1 . 1 59 59 GLY N N 15 107.811 0.074 . 1 . . . . . 76 GLY N . 50305 2
180 . 1 . 1 60 60 LYS C C 13 177.705 0.076 . 1 . . . . . 77 LYS C . 50305 2
181 . 1 . 1 60 60 LYS CA C 13 61.404 0.089 . 1 . . . . . 77 LYS CA . 50305 2
182 . 1 . 1 60 60 LYS CB C 13 33.191 0.090 . 1 . . . . . 77 LYS CB . 50305 2
183 . 1 . 1 60 60 LYS CG C 13 27.442 0.042 . 1 . . . . . 77 LYS CG . 50305 2
184 . 1 . 1 60 60 LYS CD C 13 29.966 0.024 . 1 . . . . . 77 LYS CD . 50305 2
185 . 1 . 1 60 60 LYS CE C 13 42.402 0.052 . 1 . . . . . 77 LYS CE . 50305 2
186 . 1 . 1 60 60 LYS N N 15 127.263 0.065 . 1 . . . . . 77 LYS N . 50305 2
187 . 1 . 1 61 61 ILE C C 13 177.383 0.066 . 1 . . . . . 78 ILE C . 50305 2
188 . 1 . 1 61 61 ILE CA C 13 64.815 0.129 . 1 . . . . . 78 ILE CA . 50305 2
189 . 1 . 1 61 61 ILE CB C 13 37.264 0.085 . 1 . . . . . 78 ILE CB . 50305 2
190 . 1 . 1 61 61 ILE N N 15 118.618 0.118 . 1 . . . . . 78 ILE N . 50305 2
191 . 1 . 1 62 62 PHE C C 13 176.154 0.029 . 1 . . . . . 79 PHE C . 50305 2
192 . 1 . 1 62 62 PHE CA C 13 62.275 0.050 . 1 . . . . . 79 PHE CA . 50305 2
193 . 1 . 1 62 62 PHE CB C 13 42.260 0.149 . 1 . . . . . 79 PHE CB . 50305 2
194 . 1 . 1 62 62 PHE N N 15 118.364 0.067 . 1 . . . . . 79 PHE N . 50305 2
195 . 1 . 1 63 63 THR C C 13 174.652 0.051 . 1 . . . . . 80 THR C . 50305 2
196 . 1 . 1 63 63 THR CA C 13 67.069 0.064 . 1 . . . . . 80 THR CA . 50305 2
197 . 1 . 1 63 63 THR CB C 13 69.303 0.075 . 1 . . . . . 80 THR CB . 50305 2
198 . 1 . 1 63 63 THR N N 15 112.973 0.075 . 1 . . . . . 80 THR N . 50305 2
199 . 1 . 1 64 64 ILE C C 13 175.912 0.047 . 1 . . . . . 81 ILE C . 50305 2
200 . 1 . 1 64 64 ILE CA C 13 66.459 0.098 . 1 . . . . . 81 ILE CA . 50305 2
201 . 1 . 1 64 64 ILE CB C 13 38.259 0.075 . 1 . . . . . 81 ILE CB . 50305 2
202 . 1 . 1 64 64 ILE N N 15 120.814 0.221 . 1 . . . . . 81 ILE N . 50305 2
203 . 1 . 1 65 65 LEU C C 13 176.906 0.086 . 1 . . . . . 82 LEU C . 50305 2
204 . 1 . 1 65 65 LEU CA C 13 58.138 0.120 . 1 . . . . . 82 LEU CA . 50305 2
205 . 1 . 1 65 65 LEU CB C 13 41.522 0.000 . 1 . . . . . 82 LEU CB . 50305 2
206 . 1 . 1 65 65 LEU N N 15 116.849 0.170 . 1 . . . . . 82 LEU N . 50305 2
207 . 1 . 1 66 66 TYR C C 13 176.787 0.137 . 1 . . . . . 83 TYR C . 50305 2
208 . 1 . 1 66 66 TYR CA C 13 62.261 0.061 . 1 . . . . . 83 TYR CA . 50305 2
209 . 1 . 1 66 66 TYR CB C 13 40.326 0.012 . 1 . . . . . 83 TYR CB . 50305 2
210 . 1 . 1 66 66 TYR N N 15 120.371 0.346 . 1 . . . . . 83 TYR N . 50305 2
211 . 1 . 1 67 67 ILE C C 13 177.718 0.122 . 1 . . . . . 84 ILE C . 50305 2
212 . 1 . 1 67 67 ILE CA C 13 65.569 0.156 . 1 . . . . . 84 ILE CA . 50305 2
213 . 1 . 1 67 67 ILE CB C 13 38.091 0.000 . 1 . . . . . 84 ILE CB . 50305 2
214 . 1 . 1 67 67 ILE N N 15 117.375 0.273 . 1 . . . . . 84 ILE N . 50305 2
stop_
save_