Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 27674
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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/HMQC' . . isotropic 27674 1
2 '3D HNCO' . . isotropic 27674 1
3 'HN(CA)CO (H[N[ca[CO]]])' . . isotropic 27674 1
4 '3D HNCA' . . isotropic 27674 1
5 '3D HN(CO)CA' . . isotropic 27674 1
6 '3D HNCACB' . . isotropic 27674 1
7 'CBCACONH (H[N[co[{CA|ca[C]}]]])' . . isotropic 27674 1
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 $CcpNmr_Analysis . . 27674 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.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 1 1 ALA C C 13 173.850 0.002 . 1 . . 258 . . 1 ALA C . 27674 1
2 . 1 1 1 1 ALA CA C 13 51.909 . . 1 . . 256 . . 1 ALA CA . 27674 1
3 . 1 1 1 1 ALA CB C 13 19.613 . . 1 . . 257 . . 1 ALA CB . 27674 1
4 . 1 1 2 2 PHE H H 1 8.680 0.005 . 1 . . 180 . . 2 PHE H . 27674 1
5 . 1 1 2 2 PHE C C 13 174.485 0.013 . 1 . . 254 . . 2 PHE C . 27674 1
6 . 1 1 2 2 PHE CA C 13 59.320 0.005 . 1 . . 253 . . 2 PHE CA . 27674 1
7 . 1 1 2 2 PHE CB C 13 39.764 0.015 . 1 . . 255 . . 2 PHE CB . 27674 1
8 . 1 1 2 2 PHE N N 15 119.574 0.025 . 1 . . 179 . . 2 PHE N . 27674 1
9 . 1 1 3 3 PHE H H 1 7.603 0.001 . 1 . . 12 . . 3 PHE H . 27674 1
10 . 1 1 3 3 PHE C C 13 173.944 0.008 . 1 . . 251 . . 3 PHE C . 27674 1
11 . 1 1 3 3 PHE CA C 13 57.069 0.006 . 1 . . 249 . . 3 PHE CA . 27674 1
12 . 1 1 3 3 PHE CB C 13 39.695 0.026 . 1 . . 181 . . 3 PHE CB . 27674 1
13 . 1 1 3 3 PHE N N 15 117.192 0.011 . 1 . . 11 . . 3 PHE N . 27674 1
14 . 1 1 4 4 ASP H H 1 7.638 0.001 . 1 . . 60 . . 4 ASP H . 27674 1
15 . 1 1 4 4 ASP C C 13 174.879 . . 1 . . 252 . . 4 ASP C . 27674 1
16 . 1 1 4 4 ASP CA C 13 52.265 0.003 . 1 . . 248 . . 4 ASP CA . 27674 1
17 . 1 1 4 4 ASP CB C 13 42.395 . . 1 . . 250 . . 4 ASP CB . 27674 1
18 . 1 1 4 4 ASP N N 15 123.291 0.011 . 1 . . 59 . . 4 ASP N . 27674 1
19 . 1 1 5 5 PRO C C 13 177.738 . . 1 . . 220 . . 5 PRO C . 27674 1
20 . 1 1 5 5 PRO CA C 13 64.852 0.002 . 1 . . 221 . . 5 PRO CA . 27674 1
21 . 1 1 5 5 PRO CB C 13 32.087 . . 1 . . 222 . . 5 PRO CB . 27674 1
22 . 1 1 6 6 ARG H H 1 8.624 0.002 . 1 . . 38 . . 6 ARG H . 27674 1
23 . 1 1 6 6 ARG C C 13 177.921 0.036 . 1 . . 219 . . 6 ARG C . 27674 1
24 . 1 1 6 6 ARG CA C 13 58.165 0.03 . 1 . . 202 . . 6 ARG CA . 27674 1
25 . 1 1 6 6 ARG CB C 13 29.754 0.062 . 1 . . 201 . . 6 ARG CB . 27674 1
26 . 1 1 6 6 ARG N N 15 118.457 0.029 . 1 . . 37 . . 6 ARG N . 27674 1
27 . 1 1 7 7 PHE H H 1 8.002 0.002 . 1 . . 8 . . 7 PHE H . 27674 1
28 . 1 1 7 7 PHE C C 13 177.188 . . 1 . . 218 . . 7 PHE C . 27674 1
29 . 1 1 7 7 PHE CA C 13 59.562 0.005 . 1 . . 199 . . 7 PHE CA . 27674 1
30 . 1 1 7 7 PHE CB C 13 38.954 0.051 . 1 . . 200 . . 7 PHE CB . 27674 1
31 . 1 1 7 7 PHE N N 15 118.543 0.039 . 1 . . 7 . . 7 PHE N . 27674 1
32 . 1 1 8 8 ARG H H 1 8.041 0.002 . 1 . . 72 . . 8 ARG H . 27674 1
33 . 1 1 8 8 ARG C C 13 177.510 0.015 . 1 . . 217 . . 8 ARG C . 27674 1
34 . 1 1 8 8 ARG CA C 13 58.622 0.036 . 1 . . 198 . . 8 ARG CA . 27674 1
35 . 1 1 8 8 ARG CB C 13 30.243 0.02 . 1 . . 197 . . 8 ARG CB . 27674 1
36 . 1 1 8 8 ARG N N 15 119.616 0.049 . 1 . . 71 . . 8 ARG N . 27674 1
37 . 1 1 9 9 GLN H H 1 8.143 0.002 . 1 . . 104 . . 9 GLN H . 27674 1
38 . 1 1 9 9 GLN C C 13 177.181 0.013 . 1 . . 215 . . 9 GLN C . 27674 1
39 . 1 1 9 9 GLN CA C 13 57.761 0.023 . 1 . . 195 . . 9 GLN CA . 27674 1
40 . 1 1 9 9 GLN CB C 13 28.780 0.06 . 1 . . 196 . . 9 GLN CB . 27674 1
41 . 1 1 9 9 GLN N N 15 119.038 0.012 . 1 . . 103 . . 9 GLN N . 27674 1
42 . 1 1 10 10 ALA H H 1 8.092 0.002 . 1 . . 24 . . 10 ALA H . 27674 1
43 . 1 1 10 10 ALA C C 13 178.535 0.004 . 1 . . 216 . . 10 ALA C . 27674 1
44 . 1 1 10 10 ALA CA C 13 54.207 0.049 . 1 . . 194 . . 10 ALA CA . 27674 1
45 . 1 1 10 10 ALA CB C 13 19.039 0.045 . 1 . . 193 . . 10 ALA CB . 27674 1
46 . 1 1 10 10 ALA N N 15 122.416 0.035 . 1 . . 23 . . 10 ALA N . 27674 1
47 . 1 1 11 11 SER H H 1 8.019 0.001 . 1 . . 112 . . 11 SER H . 27674 1
48 . 1 1 11 11 SER C C 13 175.571 0.014 . 1 . . 214 . . 11 SER C . 27674 1
49 . 1 1 11 11 SER CA C 13 60.745 0.02 . 1 . . 192 . . 11 SER CA . 27674 1
50 . 1 1 11 11 SER CB C 13 63.670 0.043 . 1 . . 191 . . 11 SER CB . 27674 1
51 . 1 1 11 11 SER N N 15 112.934 0.011 . 1 . . 111 . . 11 SER N . 27674 1
52 . 1 1 12 12 THR H H 1 8.030 0.001 . 1 . . 46 . . 12 THR H . 27674 1
53 . 1 1 12 12 THR C C 13 176.270 0.005 . 1 . . 213 . . 12 THR C . 27674 1
54 . 1 1 12 12 THR CA C 13 64.915 0.021 . 1 . . 212 . . 12 THR CA . 27674 1
55 . 1 1 12 12 THR CB C 13 68.945 0.046 . 1 . . 190 . . 12 THR CB . 27674 1
56 . 1 1 12 12 THR N N 15 114.566 0.023 . 1 . . 45 . . 12 THR N . 27674 1
57 . 1 1 13 13 SER H H 1 8.061 0.001 . 1 . . 90 . . 13 SER H . 27674 1
58 . 1 1 13 13 SER C C 13 175.809 0.013 . 1 . . 209 . . 13 SER C . 27674 1
59 . 1 1 13 13 SER CA C 13 61.033 0.012 . 1 . . 207 . . 13 SER CA . 27674 1
60 . 1 1 13 13 SER CB C 13 63.643 0.287 . 1 . . 206 . . 13 SER CB . 27674 1
61 . 1 1 13 13 SER N N 15 117.194 0.02 . 1 . . 89 . . 13 SER N . 27674 1
62 . 1 1 14 14 MET H H 1 7.962 0.002 . 1 . . 86 . . 14 MET H . 27674 1
63 . 1 1 14 14 MET C C 13 176.658 0.017 . 1 . . 150 . . 14 MET C . 27674 1
64 . 1 1 14 14 MET CA C 13 57.744 0.04 . 1 . . 148 . . 14 MET CA . 27674 1
65 . 1 1 14 14 MET CB C 13 33.090 0.0 . 1 . . 149 . . 14 MET CB . 27674 1
66 . 1 1 14 14 MET N N 15 119.899 0.02 . 1 . . 85 . . 14 MET N . 27674 1
67 . 1 1 15 15 LEU H H 1 7.794 0.003 . 1 . . 106 . . 15 LEU H . 27674 1
68 . 1 1 15 15 LEU C C 13 177.202 0.01 . 1 . . 165 . . 15 LEU C . 27674 1
69 . 1 1 15 15 LEU CA C 13 56.284 0.013 . 1 . . 147 . . 15 LEU CA . 27674 1
70 . 1 1 15 15 LEU CB C 13 42.308 0.009 . 1 . . 146 . . 15 LEU CB . 27674 1
71 . 1 1 15 15 LEU N N 15 117.843 0.01 . 1 . . 105 . . 15 LEU N . 27674 1
72 . 1 1 16 16 CYS H H 1 7.879 0.001 . 1 . . 68 . . 16 CYS H . 27674 1
73 . 1 1 16 16 CYS C C 13 175.183 0.011 . 1 . . 187 . . 16 CYS C . 27674 1
74 . 1 1 16 16 CYS CA C 13 59.563 0.009 . 1 . . 188 . . 16 CYS CA . 27674 1
75 . 1 1 16 16 CYS CB C 13 27.724 0.008 . 1 . . 186 . . 16 CYS CB . 27674 1
76 . 1 1 16 16 CYS N N 15 115.811 0.013 . 1 . . 67 . . 16 CYS N . 27674 1
77 . 1 1 17 17 CYS H H 1 8.106 0.001 . 1 . . 20 . . 17 CYS H . 27674 1
78 . 1 1 17 17 CYS C C 13 175.367 0.008 . 1 . . 185 . . 17 CYS C . 27674 1
79 . 1 1 17 17 CYS CA C 13 59.717 0.028 . 1 . . 183 . . 17 CYS CA . 27674 1
80 . 1 1 17 17 CYS CB C 13 27.881 0.05 . 1 . . 184 . . 17 CYS CB . 27674 1
81 . 1 1 17 17 CYS N N 15 119.104 0.01 . 1 . . 19 . . 17 CYS N . 27674 1
82 . 1 1 18 18 GLY H H 1 8.496 0.002 . 1 . . 120 . . 18 GLY H . 27674 1
83 . 1 1 18 18 GLY C C 13 174.494 0.004 . 1 . . 163 . . 18 GLY C . 27674 1
84 . 1 1 18 18 GLY CA C 13 46.086 0.035 . 1 . . 164 . . 18 GLY CA . 27674 1
85 . 1 1 18 18 GLY N N 15 109.659 0.043 . 1 . . 119 . . 18 GLY N . 27674 1
86 . 1 1 19 19 GLN H H 1 8.209 0.001 . 1 . . 132 . . 19 GLN H . 27674 1
87 . 1 1 19 19 GLN C C 13 176.545 0.007 . 1 . . 161 . . 19 GLN C . 27674 1
88 . 1 1 19 19 GLN CA C 13 56.604 0.036 . 1 . . 160 . . 19 GLN CA . 27674 1
89 . 1 1 19 19 GLN CB C 13 29.460 0.011 . 1 . . 162 . . 19 GLN CB . 27674 1
90 . 1 1 19 19 GLN N N 15 119.542 0.013 . 1 . . 131 . . 19 GLN N . 27674 1
91 . 1 1 20 20 SER H H 1 8.300 0.001 . 1 . . 10 . . 20 SER H . 27674 1
92 . 1 1 20 20 SER C C 13 175.116 0.013 . 1 . . 159 . . 20 SER C . 27674 1
93 . 1 1 20 20 SER CA C 13 59.140 0.017 . 1 . . 157 . . 20 SER CA . 27674 1
94 . 1 1 20 20 SER CB C 13 63.723 0.058 . 1 . . 158 . . 20 SER CB . 27674 1
95 . 1 1 20 20 SER N N 15 115.884 0.011 . 1 . . 9 . . 20 SER N . 27674 1
96 . 1 1 21 21 ARG H H 1 8.253 0.001 . 1 . . 98 . . 21 ARG H . 27674 1
97 . 1 1 21 21 ARG C C 13 176.599 0.008 . 1 . . 139 . . 21 ARG C . 27674 1
98 . 1 1 21 21 ARG CA C 13 56.625 0.031 . 1 . . 137 . . 21 ARG CA . 27674 1
99 . 1 1 21 21 ARG CB C 13 30.640 0.032 . 1 . . 138 . . 21 ARG CB . 27674 1
100 . 1 1 21 21 ARG N N 15 122.308 0.01 . 1 . . 97 . . 21 ARG N . 27674 1
101 . 1 1 22 22 SER H H 1 8.177 0.001 . 1 . . 56 . . 22 SER H . 27674 1
102 . 1 1 22 22 SER C C 13 174.539 0.001 . 1 . . 182 . . 22 SER C . 27674 1
103 . 1 1 22 22 SER CA C 13 58.604 0.04 . 1 . . 135 . . 22 SER CA . 27674 1
104 . 1 1 22 22 SER CB C 13 64.026 0.007 . 1 . . 136 . . 22 SER CB . 27674 1
105 . 1 1 22 22 SER N N 15 115.642 0.009 . 1 . . 55 . . 22 SER N . 27674 1
106 . 1 1 23 23 ALA H H 1 8.227 0.001 . 1 . . 96 . . 23 ALA H . 27674 1
107 . 1 1 23 23 ALA C C 13 178.279 0.001 . 1 . . 203 . . 23 ALA C . 27674 1
108 . 1 1 23 23 ALA CA C 13 52.955 0.03 . 1 . . 134 . . 23 ALA CA . 27674 1
109 . 1 1 23 23 ALA CB C 13 19.383 0.004 . 1 . . 133 . . 23 ALA CB . 27674 1
110 . 1 1 23 23 ALA N N 15 125.585 0.01 . 1 . . 95 . . 23 ALA N . 27674 1
111 . 1 1 24 24 GLY H H 1 8.309 0.001 . 1 . . 6 . . 24 GLY H . 27674 1
112 . 1 1 24 24 GLY C C 13 174.585 0.001 . 1 . . 204 . . 24 GLY C . 27674 1
113 . 1 1 24 24 GLY CA C 13 45.640 0.048 . 1 . . 205 . . 24 GLY CA . 27674 1
114 . 1 1 24 24 GLY N N 15 107.474 0.026 . 1 . . 5 . . 24 GLY N . 27674 1
115 . 1 1 25 25 THR H H 1 7.975 0.001 . 1 . . 64 . . 25 THR H . 27674 1
116 . 1 1 25 25 THR C C 13 174.845 0.005 . 1 . . 241 . . 25 THR C . 27674 1
117 . 1 1 25 25 THR CA C 13 61.910 0.018 . 1 . . 239 . . 25 THR CA . 27674 1
118 . 1 1 25 25 THR CB C 13 69.963 0.04 . 1 . . 240 . . 25 THR CB . 27674 1
119 . 1 1 25 25 THR N N 15 112.825 0.012 . 1 . . 63 . . 25 THR N . 27674 1
120 . 1 1 26 26 SER H H 1 8.289 0.001 . 1 . . 36 . . 26 SER H . 27674 1
121 . 1 1 26 26 SER C C 13 174.527 . . 1 . . 242 . . 26 SER C . 27674 1
122 . 1 1 26 26 SER CA C 13 58.610 . . 1 . . 243 . . 26 SER CA . 27674 1
123 . 1 1 26 26 SER CB C 13 63.940 . . 1 . . 244 . . 26 SER CB . 27674 1
124 . 1 1 26 26 SER N N 15 117.705 0.009 . 1 . . 35 . . 26 SER N . 27674 1
125 . 1 1 27 27 HIS H H 1 8.430 0.004 . 1 . . 28 . . 27 HIS H . 27674 1
126 . 1 1 27 27 HIS N N 15 122.058 0.039 . 1 . . 27 . . 27 HIS N . 27674 1
127 . 1 1 34 34 SER H H 1 8.210 0.001 . 1 . . 126 . . 34 SER H . 27674 1
128 . 1 1 34 34 SER C C 13 174.469 0.003 . 1 . . 264 . . 34 SER C . 27674 1
129 . 1 1 34 34 SER CA C 13 58.526 0.033 . 1 . . 142 . . 34 SER CA . 27674 1
130 . 1 1 34 34 SER CB C 13 64.038 0.007 . 1 . . 143 . . 34 SER CB . 27674 1
131 . 1 1 34 34 SER N N 15 116.492 0.011 . 1 . . 125 . . 34 SER N . 27674 1
132 . 1 1 35 35 ALA H H 1 8.277 0.001 . 1 . . 58 . . 35 ALA H . 27674 1
133 . 1 1 35 35 ALA C C 13 177.742 0.007 . 1 . . 265 . . 35 ALA C . 27674 1
134 . 1 1 35 35 ALA CA C 13 52.805 0.004 . 1 . . 262 . . 35 ALA CA . 27674 1
135 . 1 1 35 35 ALA CB C 13 19.258 0.002 . 1 . . 259 . . 35 ALA CB . 27674 1
136 . 1 1 35 35 ALA N N 15 125.844 0.008 . 1 . . 57 . . 35 ALA N . 27674 1
137 . 1 1 36 36 SER H H 1 8.126 0.001 . 1 . . 124 . . 36 SER H . 27674 1
138 . 1 1 36 36 SER C C 13 174.384 0.003 . 1 . . 263 . . 36 SER C . 27674 1
139 . 1 1 36 36 SER CA C 13 58.515 0.013 . 1 . . 261 . . 36 SER CA . 27674 1
140 . 1 1 36 36 SER CB C 13 63.941 0.015 . 1 . . 260 . . 36 SER CB . 27674 1
141 . 1 1 36 36 SER N N 15 114.411 0.019 . 1 . . 123 . . 36 SER N . 27674 1
142 . 1 1 37 37 TYR H H 1 8.040 0.001 . 1 . . 100 . . 37 TYR H . 27674 1
143 . 1 1 37 37 TYR C C 13 175.962 . . 1 . . 307 . . 37 TYR C . 27674 1
144 . 1 1 37 37 TYR CA C 13 58.258 . . 1 . . 306 . . 37 TYR CA . 27674 1
145 . 1 1 37 37 TYR CB C 13 38.820 . . 1 . . 305 . . 37 TYR CB . 27674 1
146 . 1 1 37 37 TYR N N 15 121.843 0.008 . 1 . . 99 . . 37 TYR N . 27674 1
147 . 1 1 43 43 GLN C C 13 176.001 0.002 . 1 . . 280 . . 43 GLN C . 27674 1
148 . 1 1 43 43 GLN CA C 13 55.947 0.003 . 1 . . 278 . . 43 GLN CA . 27674 1
149 . 1 1 43 43 GLN CB C 13 29.803 0.034 . 1 . . 279 . . 43 GLN CB . 27674 1
150 . 1 1 44 44 GLY H H 1 8.212 0.003 . 1 . . 2 . . 44 GLY H . 27674 1
151 . 1 1 44 44 GLY C C 13 171.817 . . 1 . . 281 . . 44 GLY C . 27674 1
152 . 1 1 44 44 GLY CA C 13 44.624 0.004 . 1 . . 277 . . 44 GLY CA . 27674 1
153 . 1 1 44 44 GLY N N 15 109.994 0.028 . 1 . . 1 . . 44 GLY N . 27674 1
154 . 1 1 45 45 PRO C C 13 177.286 . . 1 . . 269 . . 45 PRO C . 27674 1
155 . 1 1 45 45 PRO CA C 13 63.433 0.01 . 1 . . 267 . . 45 PRO CA . 27674 1
156 . 1 1 45 45 PRO CB C 13 32.359 0.031 . 1 . . 268 . . 45 PRO CB . 27674 1
157 . 1 1 46 46 GLY H H 1 8.203 0.004 . 1 . . 102 . . 46 GLY H . 27674 1
158 . 1 1 46 46 GLY C C 13 172.042 . . 1 . . 270 . . 46 GLY C . 27674 1
159 . 1 1 46 46 GLY CA C 13 44.690 0.023 . 1 . . 266 . . 46 GLY CA . 27674 1
160 . 1 1 46 46 GLY N N 15 108.958 0.067 . 1 . . 101 . . 46 GLY N . 27674 1
161 . 1 1 47 47 PRO C C 13 176.921 0.014 . 1 . . 304 . . 47 PRO C . 27674 1
162 . 1 1 47 47 PRO CA C 13 63.475 0.029 . 1 . . 302 . . 47 PRO CA . 27674 1
163 . 1 1 47 47 PRO CB C 13 32.182 0.023 . 1 . . 299 . . 47 PRO CB . 27674 1
164 . 1 1 48 48 ASN H H 1 8.514 0.001 . 1 . . 52 . . 48 ASN H . 27674 1
165 . 1 1 48 48 ASN C C 13 175.300 . . 1 . . 303 . . 48 ASN C . 27674 1
166 . 1 1 48 48 ASN CA C 13 53.500 0.019 . 1 . . 301 . . 48 ASN CA . 27674 1
167 . 1 1 48 48 ASN CB C 13 38.726 . . 1 . . 300 . . 48 ASN CB . 27674 1
168 . 1 1 48 48 ASN N N 15 118.223 0.008 . 1 . . 51 . . 48 ASN N . 27674 1
169 . 1 1 49 49 MET C C 13 176.654 0.011 . 1 . . 288 . . 49 MET C . 27674 1
170 . 1 1 49 49 MET CA C 13 55.737 0.051 . 1 . . 290 . . 49 MET CA . 27674 1
171 . 1 1 49 49 MET CB C 13 32.802 . . 1 . . 289 . . 49 MET CB . 27674 1
172 . 1 1 50 50 GLY H H 1 8.371 0.002 . 1 . . 285 . . 50 GLY H . 27674 1
173 . 1 1 50 50 GLY C C 13 174.253 . . 1 . . 287 . . 50 GLY C . 27674 1
174 . 1 1 50 50 GLY CA C 13 45.456 0.002 . 1 . . 312 . . 50 GLY CA . 27674 1
175 . 1 1 50 50 GLY N N 15 109.459 0.011 . 1 . . 286 . . 50 GLY N . 27674 1
176 . 1 1 51 51 LYS H H 1 8.189 0.001 . 1 . . 94 . . 51 LYS H . 27674 1
177 . 1 1 51 51 LYS C C 13 177.253 0.005 . 1 . . 291 . . 51 LYS C . 27674 1
178 . 1 1 51 51 LYS CA C 13 56.501 0.021 . 1 . . 292 . . 51 LYS CA . 27674 1
179 . 1 1 51 51 LYS CB C 13 33.091 0.015 . 1 . . 293 . . 51 LYS CB . 27674 1
180 . 1 1 51 51 LYS N N 15 120.752 0.007 . 1 . . 93 . . 51 LYS N . 27674 1
181 . 1 1 52 52 GLY H H 1 8.494 0.001 . 1 . . 4 . . 52 GLY H . 27674 1
182 . 1 1 52 52 GLY C C 13 174.748 0.019 . 1 . . 282 . . 52 GLY C . 27674 1
183 . 1 1 52 52 GLY CA C 13 45.527 0.043 . 1 . . 284 . . 52 GLY CA . 27674 1
184 . 1 1 52 52 GLY N N 15 109.951 0.017 . 1 . . 3 . . 52 GLY N . 27674 1
185 . 1 1 53 53 GLY H H 1 8.242 0.002 . 1 . . 16 . . 53 GLY H . 27674 1
186 . 1 1 53 53 GLY C C 13 174.434 . . 1 . . 283 . . 53 GLY C . 27674 1
187 . 1 1 53 53 GLY CA C 13 45.466 0.011 . 1 . . 140 . . 53 GLY CA . 27674 1
188 . 1 1 53 53 GLY N N 15 108.725 0.017 . 1 . . 15 . . 53 GLY N . 27674 1
189 . 1 1 62 62 PRO C C 13 176.480 . . 1 . . 273 . . 62 PRO C . 27674 1
190 . 1 1 62 62 PRO CA C 13 63.383 0.005 . 1 . . 271 . . 62 PRO CA . 27674 1
191 . 1 1 62 62 PRO CB C 13 31.932 0.036 . 1 . . 275 . . 62 PRO CB . 27674 1
192 . 1 1 63 63 TYR H H 1 8.033 0.001 . 1 . . 18 . . 63 TYR H . 27674 1
193 . 1 1 63 63 TYR C C 13 175.864 0.095 . 1 . . 274 . . 63 TYR C . 27674 1
194 . 1 1 63 63 TYR CA C 13 58.098 0.007 . 1 . . 272 . . 63 TYR CA . 27674 1
195 . 1 1 63 63 TYR CB C 13 38.819 0.063 . 1 . . 276 . . 63 TYR CB . 27674 1
196 . 1 1 63 63 TYR N N 15 120.158 0.008 . 1 . . 17 . . 63 TYR N . 27674 1
197 . 1 1 64 64 SER H H 1 8.116 0.001 . 1 . . 26 . . 64 SER H . 27674 1
198 . 1 1 64 64 SER C C 13 174.517 . . 1 . . 295 . . 64 SER C . 27674 1
199 . 1 1 64 64 SER CA C 13 58.181 0.064 . 1 . . 311 . . 64 SER CA . 27674 1
200 . 1 1 64 64 SER CB C 13 64.071 . . 1 . . 294 . . 64 SER CB . 27674 1
201 . 1 1 64 64 SER N N 15 116.968 0.011 . 1 . . 25 . . 64 SER N . 27674 1
202 . 1 1 65 65 GLN H H 1 8.319 0.001 . 1 . . 128 . . 65 GLN H . 27674 1
203 . 1 1 65 65 GLN C C 13 175.910 0.002 . 1 . . 310 . . 65 GLN C . 27674 1
204 . 1 1 65 65 GLN CA C 13 56.211 0.042 . 1 . . 308 . . 65 GLN CA . 27674 1
205 . 1 1 65 65 GLN CB C 13 29.632 0.015 . 1 . . 309 . . 65 GLN CB . 27674 1
206 . 1 1 65 65 GLN N N 15 122.237 0.01 . 1 . . 127 . . 65 GLN N . 27674 1
207 . 1 1 66 66 GLU H H 1 8.396 0.001 . 1 . . 92 . . 66 GLU H . 27674 1
208 . 1 1 66 66 GLU C C 13 176.524 0.009 . 1 . . 238 . . 66 GLU C . 27674 1
209 . 1 1 66 66 GLU CA C 13 57.041 0.038 . 1 . . 236 . . 66 GLU CA . 27674 1
210 . 1 1 66 66 GLU CB C 13 30.387 0.025 . 1 . . 237 . . 66 GLU CB . 27674 1
211 . 1 1 66 66 GLU N N 15 121.592 0.016 . 1 . . 91 . . 66 GLU N . 27674 1
212 . 1 1 67 67 THR H H 1 8.086 0.001 . 1 . . 14 . . 67 THR H . 27674 1
213 . 1 1 67 67 THR C C 13 174.035 0.001 . 1 . . 235 . . 67 THR C . 27674 1
214 . 1 1 67 67 THR CA C 13 62.035 0.025 . 1 . . 234 . . 67 THR CA . 27674 1
215 . 1 1 67 67 THR CB C 13 69.851 . . 1 . . 247 . . 67 THR CB . 27674 1
216 . 1 1 67 67 THR N N 15 115.355 0.01 . 1 . . 13 . . 67 THR N . 27674 1
217 . 1 1 68 68 LEU H H 1 8.145 0.001 . 1 . . 84 . . 68 LEU H . 27674 1
218 . 1 1 68 68 LEU C C 13 176.660 0.011 . 1 . . 233 . . 68 LEU C . 27674 1
219 . 1 1 68 68 LEU CA C 13 55.271 0.047 . 1 . . 231 . . 68 LEU CA . 27674 1
220 . 1 1 68 68 LEU CB C 13 42.655 0.037 . 1 . . 232 . . 68 LEU CB . 27674 1
221 . 1 1 68 68 LEU N N 15 125.414 0.006 . 1 . . 83 . . 68 LEU N . 27674 1
222 . 1 1 69 69 VAL H H 1 8.111 0.001 . 1 . . 70 . . 69 VAL H . 27674 1
223 . 1 1 69 69 VAL C C 13 175.795 0.002 . 1 . . 230 . . 69 VAL C . 27674 1
224 . 1 1 69 69 VAL CA C 13 62.427 0.043 . 1 . . 228 . . 69 VAL CA . 27674 1
225 . 1 1 69 69 VAL CB C 13 32.758 0.038 . 1 . . 229 . . 69 VAL CB . 27674 1
226 . 1 1 69 69 VAL N N 15 122.947 0.016 . 1 . . 69 . . 69 VAL N . 27674 1
227 . 1 1 70 70 VAL H H 1 8.184 0.001 . 1 . . 48 . . 70 VAL H . 27674 1
228 . 1 1 70 70 VAL C C 13 174.791 0.004 . 1 . . 227 . . 70 VAL C . 27674 1
229 . 1 1 70 70 VAL CA C 13 61.945 0.027 . 1 . . 224 . . 70 VAL CA . 27674 1
230 . 1 1 70 70 VAL CB C 13 33.098 0.053 . 1 . . 245 . . 70 VAL CB . 27674 1
231 . 1 1 70 70 VAL N N 15 124.309 0.005 . 1 . . 47 . . 70 VAL N . 27674 1
232 . 1 1 71 71 ASP H H 1 7.886 0.003 . 1 . . 78 . . 71 ASP H . 27674 1
233 . 1 1 71 71 ASP C C 13 180.577 . . 1 . . 226 . . 71 ASP C . 27674 1
234 . 1 1 71 71 ASP CA C 13 55.877 0.003 . 1 . . 141 . . 71 ASP CA . 27674 1
235 . 1 1 71 71 ASP CB C 13 42.419 . . 1 . . 225 . . 71 ASP CB . 27674 1
236 . 1 1 71 71 ASP N N 15 109.41 0.17 . 1 . . 77 . . 71 ASP N . 27674 1
stop_
save_