Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50149
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name BRD2-BD2_BMRB_assignments
_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
1 '2D 1H-15N HSQC' . . . 50149 1
2 '3D HNCACB' . . . 50149 1
3 '3D CBCA(CO)NH' . . . 50149 1
4 '3D HNCO' . . . 50149 1
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 3 3 LEU H H 1 8.723 0.001 . 1 . . 168 . . 3 LEU H . 50149 1
2 . 1 . 1 3 3 LEU CA C 13 55.478 0.047 . 1 . . 171 . . 3 LEU CA . 50149 1
3 . 1 . 1 3 3 LEU CB C 13 42.502 0.033 . 1 . . 170 . . 3 LEU CB . 50149 1
4 . 1 . 1 3 3 LEU N N 15 122.914 0.022 . 1 . . 169 . . 3 LEU N . 50149 1
5 . 1 . 1 4 4 GLY H H 1 8.545 0.003 . 1 . . 173 . . 4 GLY H . 50149 1
6 . 1 . 1 4 4 GLY CA C 13 45.357 0.061 . 1 . . 374 . . 4 GLY CA . 50149 1
7 . 1 . 1 4 4 GLY N N 15 109.975 0.025 . 1 . . 174 . . 4 GLY N . 50149 1
8 . 1 . 1 5 5 SER H H 1 8.490 . . 1 . . 372 . . 5 SER H . 50149 1
9 . 1 . 1 5 5 SER N N 15 116.385 . . 1 . . 373 . . 5 SER N . 50149 1
10 . 1 . 1 8 8 GLN H H 1 8.306 0.003 . 1 . . 182 . . 8 GLN H . 50149 1
11 . 1 . 1 8 8 GLN CA C 13 60.144 0.078 . 1 . . 185 . . 8 GLN CA . 50149 1
12 . 1 . 1 8 8 GLN CB C 13 28.512 0.021 . 1 . . 184 . . 8 GLN CB . 50149 1
13 . 1 . 1 8 8 GLN N N 15 119.336 0.026 . 1 . . 183 . . 8 GLN N . 50149 1
14 . 1 . 1 9 9 LEU H H 1 8.295 0.003 . 1 . . 187 . . 9 LEU H . 50149 1
15 . 1 . 1 9 9 LEU CA C 13 58.250 0.082 . 1 . . 190 . . 9 LEU CA . 50149 1
16 . 1 . 1 9 9 LEU CB C 13 41.131 0.03 . 1 . . 189 . . 9 LEU CB . 50149 1
17 . 1 . 1 9 9 LEU N N 15 120.753 0.043 . 1 . . 188 . . 9 LEU N . 50149 1
18 . 1 . 1 10 10 LYS H H 1 7.942 0.003 . 1 . . 163 . . 10 LYS H . 50149 1
19 . 1 . 1 10 10 LYS CA C 13 60.055 . . 1 . . 166 . . 10 LYS CA . 50149 1
20 . 1 . 1 10 10 LYS CB C 13 32.056 . . 1 . . 165 . . 10 LYS CB . 50149 1
21 . 1 . 1 10 10 LYS N N 15 121.759 0.035 . 1 . . 164 . . 10 LYS N . 50149 1
22 . 1 . 1 11 11 HIS H H 1 7.895 0.003 . 1 . . 192 . . 11 HIS H . 50149 1
23 . 1 . 1 11 11 HIS CA C 13 59.926 . . 1 . . 195 . . 11 HIS CA . 50149 1
24 . 1 . 1 11 11 HIS CB C 13 30.726 . . 1 . . 194 . . 11 HIS CB . 50149 1
25 . 1 . 1 11 11 HIS N N 15 120.916 0.043 . 1 . . 193 . . 11 HIS N . 50149 1
26 . 1 . 1 13 13 ASN H H 1 8.241 0.002 . 1 . . 130 . . 13 ASN H . 50149 1
27 . 1 . 1 13 13 ASN CA C 13 56.703 . . 1 . . 132 . . 13 ASN CA . 50149 1
28 . 1 . 1 13 13 ASN CB C 13 38.676 . . 1 . . 133 . . 13 ASN CB . 50149 1
29 . 1 . 1 13 13 ASN N N 15 120.116 0.032 . 1 . . 131 . . 13 ASN N . 50149 1
30 . 1 . 1 14 14 GLY H H 1 7.806 0.009 . 1 . . 298 . . 14 GLY H . 50149 1
31 . 1 . 1 14 14 GLY CA C 13 47.325 0.031 . 1 . . 300 . . 14 GLY CA . 50149 1
32 . 1 . 1 14 14 GLY N N 15 106.620 0.014 . 1 . . 299 . . 14 GLY N . 50149 1
33 . 1 . 1 15 15 ILE H H 1 7.846 0.002 . 1 . . 293 . . 15 ILE H . 50149 1
34 . 1 . 1 15 15 ILE CA C 13 65.901 0.081 . 1 . . 295 . . 15 ILE CA . 50149 1
35 . 1 . 1 15 15 ILE CB C 13 37.967 0.078 . 1 . . 296 . . 15 ILE CB . 50149 1
36 . 1 . 1 15 15 ILE N N 15 123.363 0.024 . 1 . . 294 . . 15 ILE N . 50149 1
37 . 1 . 1 16 16 LEU H H 1 8.426 0.002 . 1 . . 244 . . 16 LEU H . 50149 1
38 . 1 . 1 16 16 LEU CA C 13 58.733 0.044 . 1 . . 246 . . 16 LEU CA . 50149 1
39 . 1 . 1 16 16 LEU CB C 13 42.097 0.006 . 1 . . 292 . . 16 LEU CB . 50149 1
40 . 1 . 1 16 16 LEU N N 15 121.263 0.041 . 1 . . 245 . . 16 LEU N . 50149 1
41 . 1 . 1 17 17 LYS H H 1 8.259 0.003 . 1 . . 282 . . 17 LYS H . 50149 1
42 . 1 . 1 17 17 LYS CA C 13 59.998 0.033 . 1 . . 285 . . 17 LYS CA . 50149 1
43 . 1 . 1 17 17 LYS CB C 13 32.252 0.044 . 1 . . 284 . . 17 LYS CB . 50149 1
44 . 1 . 1 17 17 LYS N N 15 116.255 0.018 . 1 . . 283 . . 17 LYS N . 50149 1
45 . 1 . 1 18 18 GLU H H 1 7.848 0.003 . 1 . . 287 . . 18 GLU H . 50149 1
46 . 1 . 1 18 18 GLU CA C 13 59.744 0.006 . 1 . . 289 . . 18 GLU CA . 50149 1
47 . 1 . 1 18 18 GLU CB C 13 28.513 . . 1 . . 290 . . 18 GLU CB . 50149 1
48 . 1 . 1 18 18 GLU N N 15 119.398 0.023 . 1 . . 288 . . 18 GLU N . 50149 1
49 . 1 . 1 19 19 LEU H H 1 8.900 0.003 . 1 . . 273 . . 19 LEU H . 50149 1
50 . 1 . 1 19 19 LEU CA C 13 58.552 0.045 . 1 . . 275 . . 19 LEU CA . 50149 1
51 . 1 . 1 19 19 LEU CB C 13 41.301 0.068 . 1 . . 276 . . 19 LEU CB . 50149 1
52 . 1 . 1 19 19 LEU N N 15 120.617 0.022 . 1 . . 274 . . 19 LEU N . 50149 1
53 . 1 . 1 20 20 LEU H H 1 7.528 0.003 . 1 . . 277 . . 20 LEU H . 50149 1
54 . 1 . 1 20 20 LEU CA C 13 55.088 0.032 . 1 . . 280 . . 20 LEU CA . 50149 1
55 . 1 . 1 20 20 LEU CB C 13 42.753 0.008 . 1 . . 279 . . 20 LEU CB . 50149 1
56 . 1 . 1 20 20 LEU N N 15 115.010 0.026 . 1 . . 278 . . 20 LEU N . 50149 1
57 . 1 . 1 21 21 SER H H 1 7.799 0.002 . 1 . . 100 . . 21 SER H . 50149 1
58 . 1 . 1 21 21 SER CA C 13 59.153 . . 1 . . 102 . . 21 SER CA . 50149 1
59 . 1 . 1 21 21 SER CB C 13 65.445 . . 1 . . 103 . . 21 SER CB . 50149 1
60 . 1 . 1 21 21 SER N N 15 116.123 0.015 . 1 . . 101 . . 21 SER N . 50149 1
61 . 1 . 1 24 24 HIS H H 1 6.644 0.001 . 1 . . 95 . . 24 HIS H . 50149 1
62 . 1 . 1 24 24 HIS CA C 13 54.371 0.052 . 1 . . 98 . . 24 HIS CA . 50149 1
63 . 1 . 1 24 24 HIS CB C 13 31.359 0.033 . 1 . . 97 . . 24 HIS CB . 50149 1
64 . 1 . 1 24 24 HIS N N 15 113.518 0.016 . 1 . . 96 . . 24 HIS N . 50149 1
65 . 1 . 1 25 25 ALA H H 1 7.385 0.001 . 1 . . 90 . . 25 ALA H . 50149 1
66 . 1 . 1 25 25 ALA CA C 13 55.778 0.071 . 1 . . 92 . . 25 ALA CA . 50149 1
67 . 1 . 1 25 25 ALA CB C 13 19.559 0.019 . 1 . . 93 . . 25 ALA CB . 50149 1
68 . 1 . 1 25 25 ALA N N 15 122.195 0.016 . 1 . . 91 . . 25 ALA N . 50149 1
69 . 1 . 1 26 26 ALA H H 1 8.539 0.002 . 1 . . 70 . . 26 ALA H . 50149 1
70 . 1 . 1 26 26 ALA CA C 13 54.916 0.047 . 1 . . 73 . . 26 ALA CA . 50149 1
71 . 1 . 1 26 26 ALA CB C 13 18.727 0.042 . 1 . . 74 . . 26 ALA CB . 50149 1
72 . 1 . 1 26 26 ALA N N 15 117.180 0.028 . 1 . . 71 . . 26 ALA N . 50149 1
73 . 1 . 1 27 27 TYR H H 1 6.947 0.004 . 1 . . 75 . . 27 TYR H . 50149 1
74 . 1 . 1 27 27 TYR CA C 13 54.824 0.04 . 1 . . 78 . . 27 TYR CA . 50149 1
75 . 1 . 1 27 27 TYR CB C 13 38.521 0.04 . 1 . . 79 . . 27 TYR CB . 50149 1
76 . 1 . 1 27 27 TYR N N 15 110.622 0.013 . 1 . . 76 . . 27 TYR N . 50149 1
77 . 1 . 1 28 28 ALA H H 1 7.905 0.005 . 1 . . 80 . . 28 ALA H . 50149 1
78 . 1 . 1 28 28 ALA CA C 13 52.360 0.01 . 1 . . 83 . . 28 ALA CA . 50149 1
79 . 1 . 1 28 28 ALA CB C 13 21.979 0.049 . 1 . . 84 . . 28 ALA CB . 50149 1
80 . 1 . 1 28 28 ALA N N 15 119.092 0.05 . 1 . . 81 . . 28 ALA N . 50149 1
81 . 1 . 1 29 29 TRP H H 1 6.834 0.003 . 1 . . 85 . . 29 TRP H . 50149 1
82 . 1 . 1 29 29 TRP CA C 13 59.105 . . 1 . . 88 . . 29 TRP CA . 50149 1
83 . 1 . 1 29 29 TRP CB C 13 27.668 . . 1 . . 87 . . 29 TRP CB . 50149 1
84 . 1 . 1 29 29 TRP N N 15 115.154 0.016 . 1 . . 86 . . 29 TRP N . 50149 1
85 . 1 . 1 31 31 PHE H H 1 7.724 0.001 . 1 . . 302 . . 31 PHE H . 50149 1
86 . 1 . 1 31 31 PHE CA C 13 57.062 0.009 . 1 . . 305 . . 31 PHE CA . 50149 1
87 . 1 . 1 31 31 PHE CB C 13 38.147 0.0 . 1 . . 304 . . 31 PHE CB . 50149 1
88 . 1 . 1 31 31 PHE N N 15 113.186 0.016 . 1 . . 303 . . 31 PHE N . 50149 1
89 . 1 . 1 32 32 TYR H H 1 7.391 0.002 . 1 . . 307 . . 32 TYR H . 50149 1
90 . 1 . 1 32 32 TYR CA C 13 57.290 0.027 . 1 . . 310 . . 32 TYR CA . 50149 1
91 . 1 . 1 32 32 TYR CB C 13 38.116 0.008 . 1 . . 309 . . 32 TYR CB . 50149 1
92 . 1 . 1 32 32 TYR N N 15 117.789 0.032 . 1 . . 308 . . 32 TYR N . 50149 1
93 . 1 . 1 33 33 LYS H H 1 7.693 0.002 . 1 . . 312 . . 33 LYS H . 50149 1
94 . 1 . 1 33 33 LYS CA C 13 53.172 . . 1 . . 315 . . 33 LYS CA . 50149 1
95 . 1 . 1 33 33 LYS CB C 13 33.758 . . 1 . . 314 . . 33 LYS CB . 50149 1
96 . 1 . 1 33 33 LYS N N 15 115.158 0.013 . 1 . . 313 . . 33 LYS N . 50149 1
97 . 1 . 1 35 35 VAL H H 1 8.472 0.002 . 1 . . 230 . . 35 VAL H . 50149 1
98 . 1 . 1 35 35 VAL CA C 13 64.396 0.023 . 1 . . 233 . . 35 VAL CA . 50149 1
99 . 1 . 1 35 35 VAL CB C 13 32.314 . . 1 . . 232 . . 35 VAL CB . 50149 1
100 . 1 . 1 35 35 VAL N N 15 125.171 0.028 . 1 . . 231 . . 35 VAL N . 50149 1
101 . 1 . 1 36 36 ASP H H 1 8.320 0.004 . 1 . . 235 . . 36 ASP H . 50149 1
102 . 1 . 1 36 36 ASP CA C 13 51.937 0.088 . 1 . . 237 . . 36 ASP CA . 50149 1
103 . 1 . 1 36 36 ASP CB C 13 40.127 0.081 . 1 . . 238 . . 36 ASP CB . 50149 1
104 . 1 . 1 36 36 ASP N N 15 129.069 0.031 . 1 . . 236 . . 36 ASP N . 50149 1
105 . 1 . 1 37 37 ALA H H 1 8.403 0.003 . 1 . . 240 . . 37 ALA H . 50149 1
106 . 1 . 1 37 37 ALA CA C 13 54.419 . . 1 . . 242 . . 37 ALA CA . 50149 1
107 . 1 . 1 37 37 ALA N N 15 126.016 0.026 . 1 . . 241 . . 37 ALA N . 50149 1
108 . 1 . 1 38 38 SER H H 1 8.392 0.001 . 1 . . 2 . . 38 SER H . 50149 1
109 . 1 . 1 38 38 SER CA C 13 60.503 0.057 . 1 . . 4 . . 38 SER CA . 50149 1
110 . 1 . 1 38 38 SER CB C 13 63.160 0.088 . 1 . . 5 . . 38 SER CB . 50149 1
111 . 1 . 1 38 38 SER N N 15 112.723 0.029 . 1 . . 3 . . 38 SER N . 50149 1
112 . 1 . 1 39 39 ALA H H 1 7.640 0.003 . 1 . . 6 . . 39 ALA H . 50149 1
113 . 1 . 1 39 39 ALA CA C 13 53.457 . . 1 . . 8 . . 39 ALA CA . 50149 1
114 . 1 . 1 39 39 ALA CB C 13 18.952 . . 1 . . 9 . . 39 ALA CB . 50149 1
115 . 1 . 1 39 39 ALA N N 15 125.591 0.029 . 1 . . 7 . . 39 ALA N . 50149 1
116 . 1 . 1 41 41 GLY CA C 13 46.098 . . 1 . . 375 . . 41 GLY CA . 50149 1
117 . 1 . 1 42 42 LEU H H 1 8.052 0.001 . 1 . . 135 . . 42 LEU H . 50149 1
118 . 1 . 1 42 42 LEU CA C 13 53.038 . . 1 . . 137 . . 42 LEU CA . 50149 1
119 . 1 . 1 42 42 LEU CB C 13 40.820 . . 1 . . 138 . . 42 LEU CB . 50149 1
120 . 1 . 1 42 42 LEU N N 15 120.376 0.007 . 1 . . 136 . . 42 LEU N . 50149 1
121 . 1 . 1 43 43 HIS CA C 13 58.429 . . 1 . . 376 . . 43 HIS CA . 50149 1
122 . 1 . 1 43 43 HIS CB C 13 30.217 . . 1 . . 377 . . 43 HIS CB . 50149 1
123 . 1 . 1 44 44 ASP H H 1 8.359 0.003 . 1 . . 267 . . 44 ASP H . 50149 1
124 . 1 . 1 44 44 ASP CA C 13 52.879 . . 1 . . 380 . . 44 ASP CA . 50149 1
125 . 1 . 1 44 44 ASP CB C 13 40.822 . . 1 . . 381 . . 44 ASP CB . 50149 1
126 . 1 . 1 44 44 ASP N N 15 117.313 0.02 . 1 . . 268 . . 44 ASP N . 50149 1
127 . 1 . 1 45 45 TYR H H 1 7.752 0.003 . 1 . . 348 . . 45 TYR H . 50149 1
128 . 1 . 1 45 45 TYR CB C 13 39.693 . . 1 . . 350 . . 45 TYR CB . 50149 1
129 . 1 . 1 45 45 TYR N N 15 122.597 0.03 . 1 . . 349 . . 45 TYR N . 50149 1
130 . 1 . 1 46 46 HIS H H 1 8.183 0.001 . 1 . . 211 . . 46 HIS H . 50149 1
131 . 1 . 1 46 46 HIS CA C 13 57.683 0.082 . 1 . . 213 . . 46 HIS CA . 50149 1
132 . 1 . 1 46 46 HIS CB C 13 29.010 0.095 . 1 . . 214 . . 46 HIS CB . 50149 1
133 . 1 . 1 46 46 HIS N N 15 113.001 0.035 . 1 . . 212 . . 46 HIS N . 50149 1
134 . 1 . 1 47 47 ASP H H 1 7.433 0.004 . 1 . . 216 . . 47 ASP H . 50149 1
135 . 1 . 1 47 47 ASP CA C 13 55.919 0.039 . 1 . . 219 . . 47 ASP CA . 50149 1
136 . 1 . 1 47 47 ASP CB C 13 41.088 0.019 . 1 . . 218 . . 47 ASP CB . 50149 1
137 . 1 . 1 47 47 ASP N N 15 118.056 0.019 . 1 . . 217 . . 47 ASP N . 50149 1
138 . 1 . 1 48 48 ILE H H 1 7.121 0.004 . 1 . . 220 . . 48 ILE H . 50149 1
139 . 1 . 1 48 48 ILE CA C 13 62.109 . . 1 . . 223 . . 48 ILE CA . 50149 1
140 . 1 . 1 48 48 ILE CB C 13 39.756 . . 1 . . 222 . . 48 ILE CB . 50149 1
141 . 1 . 1 48 48 ILE N N 15 118.960 0.017 . 1 . . 221 . . 48 ILE N . 50149 1
142 . 1 . 1 51 51 HIS H H 1 8.213 0.005 . 1 . . 325 . . 51 HIS H . 50149 1
143 . 1 . 1 51 51 HIS CA C 13 52.549 . . 1 . . 382 . . 51 HIS CA . 50149 1
144 . 1 . 1 51 51 HIS CB C 13 30.161 . . 1 . . 327 . . 51 HIS CB . 50149 1
145 . 1 . 1 51 51 HIS N N 15 116.910 0.021 . 1 . . 326 . . 51 HIS N . 50149 1
146 . 1 . 1 53 53 MET H H 1 8.224 0.003 . 1 . . 354 . . 53 MET H . 50149 1
147 . 1 . 1 53 53 MET CA C 13 54.055 0.044 . 1 . . 356 . . 53 MET CA . 50149 1
148 . 1 . 1 53 53 MET N N 15 119.041 0.049 . 1 . . 355 . . 53 MET N . 50149 1
149 . 1 . 1 54 54 ASP H H 1 7.397 0.002 . 1 . . 197 . . 54 ASP H . 50149 1
150 . 1 . 1 54 54 ASP CA C 13 53.550 0.065 . 1 . . 200 . . 54 ASP CA . 50149 1
151 . 1 . 1 54 54 ASP CB C 13 43.741 0.062 . 1 . . 199 . . 54 ASP CB . 50149 1
152 . 1 . 1 54 54 ASP N N 15 120.166 0.02 . 1 . . 198 . . 54 ASP N . 50149 1
153 . 1 . 1 55 55 LEU H H 1 9.120 0.001 . 1 . . 202 . . 55 LEU H . 50149 1
154 . 1 . 1 55 55 LEU CA C 13 58.613 0.014 . 1 . . 204 . . 55 LEU CA . 50149 1
155 . 1 . 1 55 55 LEU CB C 13 42.384 0.09 . 1 . . 205 . . 55 LEU CB . 50149 1
156 . 1 . 1 55 55 LEU N N 15 119.260 0.029 . 1 . . 203 . . 55 LEU N . 50149 1
157 . 1 . 1 56 56 SER H H 1 8.690 0.002 . 1 . . 176 . . 56 SER H . 50149 1
158 . 1 . 1 56 56 SER CB C 13 62.049 0.01 . 1 . . 178 . . 56 SER CB . 50149 1
159 . 1 . 1 56 56 SER N N 15 118.610 0.047 . 1 . . 177 . . 56 SER N . 50149 1
160 . 1 . 1 57 57 THR H H 1 7.467 0.005 . 1 . . 145 . . 57 THR H . 50149 1
161 . 1 . 1 57 57 THR CB C 13 68.031 0.043 . 1 . . 147 . . 57 THR CB . 50149 1
162 . 1 . 1 57 57 THR N N 15 125.313 0.017 . 1 . . 146 . . 57 THR N . 50149 1
163 . 1 . 1 58 58 VAL H H 1 7.553 0.002 . 1 . . 148 . . 58 VAL H . 50149 1
164 . 1 . 1 58 58 VAL CA C 13 65.711 0.036 . 1 . . 151 . . 58 VAL CA . 50149 1
165 . 1 . 1 58 58 VAL CB C 13 31.996 . . 1 . . 150 . . 58 VAL CB . 50149 1
166 . 1 . 1 58 58 VAL N N 15 122.748 0.046 . 1 . . 149 . . 58 VAL N . 50149 1
167 . 1 . 1 59 59 LYS H H 1 8.434 0.004 . 1 . . 153 . . 59 LYS H . 50149 1
168 . 1 . 1 59 59 LYS CA C 13 60.150 0.073 . 1 . . 155 . . 59 LYS CA . 50149 1
169 . 1 . 1 59 59 LYS CB C 13 32.963 0.023 . 1 . . 156 . . 59 LYS CB . 50149 1
170 . 1 . 1 59 59 LYS N N 15 118.815 0.04 . 1 . . 154 . . 59 LYS N . 50149 1
171 . 1 . 1 60 60 ARG H H 1 7.845 0.003 . 1 . . 158 . . 60 ARG H . 50149 1
172 . 1 . 1 60 60 ARG CA C 13 59.469 0.038 . 1 . . 161 . . 60 ARG CA . 50149 1
173 . 1 . 1 60 60 ARG CB C 13 29.886 0.01 . 1 . . 160 . . 60 ARG CB . 50149 1
174 . 1 . 1 60 60 ARG N N 15 120.079 0.025 . 1 . . 159 . . 60 ARG N . 50149 1
175 . 1 . 1 61 61 LYS H H 1 8.471 0.002 . 1 . . 125 . . 61 LYS H . 50149 1
176 . 1 . 1 61 61 LYS CA C 13 59.996 0.036 . 1 . . 127 . . 61 LYS CA . 50149 1
177 . 1 . 1 61 61 LYS CB C 13 31.782 . . 1 . . 128 . . 61 LYS CB . 50149 1
178 . 1 . 1 61 61 LYS N N 15 119.546 0.012 . 1 . . 126 . . 61 LYS N . 50149 1
179 . 1 . 1 62 62 MET H H 1 8.807 0.002 . 1 . . 120 . . 62 MET H . 50149 1
180 . 1 . 1 62 62 MET CA C 13 58.115 0.0 . 1 . . 122 . . 62 MET CA . 50149 1
181 . 1 . 1 62 62 MET CB C 13 31.936 0.048 . 1 . . 123 . . 62 MET CB . 50149 1
182 . 1 . 1 62 62 MET N N 15 119.783 0.027 . 1 . . 121 . . 62 MET N . 50149 1
183 . 1 . 1 63 63 GLU H H 1 8.793 0.0 . 1 . . 115 . . 63 GLU H . 50149 1
184 . 1 . 1 63 63 GLU CA C 13 59.184 0.031 . 1 . . 118 . . 63 GLU CA . 50149 1
185 . 1 . 1 63 63 GLU CB C 13 29.348 0.015 . 1 . . 117 . . 63 GLU CB . 50149 1
186 . 1 . 1 63 63 GLU N N 15 121.494 0.018 . 1 . . 116 . . 63 GLU N . 50149 1
187 . 1 . 1 64 64 ASN H H 1 8.122 0.004 . 1 . . 110 . . 64 ASN H . 50149 1
188 . 1 . 1 64 64 ASN CA C 13 53.095 0.052 . 1 . . 112 . . 64 ASN CA . 50149 1
189 . 1 . 1 64 64 ASN CB C 13 38.700 0.02 . 1 . . 113 . . 64 ASN CB . 50149 1
190 . 1 . 1 64 64 ASN N N 15 116.431 0.017 . 1 . . 111 . . 64 ASN N . 50149 1
191 . 1 . 1 65 65 ARG H H 1 7.795 0.001 . 1 . . 105 . . 65 ARG H . 50149 1
192 . 1 . 1 65 65 ARG CA C 13 57.127 0.076 . 1 . . 107 . . 65 ARG CA . 50149 1
193 . 1 . 1 65 65 ARG CB C 13 25.848 0.02 . 1 . . 108 . . 65 ARG CB . 50149 1
194 . 1 . 1 65 65 ARG N N 15 114.087 0.012 . 1 . . 106 . . 65 ARG N . 50149 1
195 . 1 . 1 66 66 ASP H H 1 8.575 0.003 . 1 . . 65 . . 66 ASP H . 50149 1
196 . 1 . 1 66 66 ASP CA C 13 56.066 0.065 . 1 . . 68 . . 66 ASP CA . 50149 1
197 . 1 . 1 66 66 ASP CB C 13 41.805 0.06 . 1 . . 69 . . 66 ASP CB . 50149 1
198 . 1 . 1 66 66 ASP N N 15 116.337 0.023 . 1 . . 66 . . 66 ASP N . 50149 1
199 . 1 . 1 67 67 TYR H H 1 7.200 0.001 . 1 . . 11 . . 67 TYR H . 50149 1
200 . 1 . 1 67 67 TYR CA C 13 57.474 0.034 . 1 . . 14 . . 67 TYR CA . 50149 1
201 . 1 . 1 67 67 TYR CB C 13 38.693 0.028 . 1 . . 13 . . 67 TYR CB . 50149 1
202 . 1 . 1 67 67 TYR N N 15 115.541 0.015 . 1 . . 12 . . 67 TYR N . 50149 1
203 . 1 . 1 68 68 ARG H H 1 9.632 0.003 . 1 . . 16 . . 68 ARG H . 50149 1
204 . 1 . 1 68 68 ARG CA C 13 57.307 0.006 . 1 . . 18 . . 68 ARG CA . 50149 1
205 . 1 . 1 68 68 ARG CB C 13 31.093 0.04 . 1 . . 19 . . 68 ARG CB . 50149 1
206 . 1 . 1 68 68 ARG N N 15 123.218 0.024 . 1 . . 17 . . 68 ARG N . 50149 1
207 . 1 . 1 69 69 ASP H H 1 7.610 0.0 . 1 . . 21 . . 69 ASP H . 50149 1
208 . 1 . 1 69 69 ASP CA C 13 52.654 0.028 . 1 . . 23 . . 69 ASP CA . 50149 1
209 . 1 . 1 69 69 ASP CB C 13 42.817 0.003 . 1 . . 24 . . 69 ASP CB . 50149 1
210 . 1 . 1 69 69 ASP N N 15 112.927 0.025 . 1 . . 22 . . 69 ASP N . 50149 1
211 . 1 . 1 70 70 ALA H H 1 8.920 0.002 . 1 . . 26 . . 70 ALA H . 50149 1
212 . 1 . 1 70 70 ALA CA C 13 54.694 0.051 . 1 . . 29 . . 70 ALA CA . 50149 1
213 . 1 . 1 70 70 ALA CB C 13 20.338 0.065 . 1 . . 30 . . 70 ALA CB . 50149 1
214 . 1 . 1 70 70 ALA N N 15 120.395 0.03 . 1 . . 27 . . 70 ALA N . 50149 1
215 . 1 . 1 71 71 GLN H H 1 8.515 0.002 . 1 . . 31 . . 71 GLN H . 50149 1
216 . 1 . 1 71 71 GLN CA C 13 59.587 0.072 . 1 . . 34 . . 71 GLN CA . 50149 1
217 . 1 . 1 71 71 GLN CB C 13 27.599 0.033 . 1 . . 33 . . 71 GLN CB . 50149 1
218 . 1 . 1 71 71 GLN N N 15 117.921 0.016 . 1 . . 32 . . 71 GLN N . 50149 1
219 . 1 . 1 72 72 GLU H H 1 8.391 0.002 . 1 . . 36 . . 72 GLU H . 50149 1
220 . 1 . 1 72 72 GLU CA C 13 59.534 0.022 . 1 . . 38 . . 72 GLU CA . 50149 1
221 . 1 . 1 72 72 GLU CB C 13 31.096 0.058 . 1 . . 39 . . 72 GLU CB . 50149 1
222 . 1 . 1 72 72 GLU N N 15 121.837 0.018 . 1 . . 37 . . 72 GLU N . 50149 1
223 . 1 . 1 73 73 PHE H H 1 6.807 0.002 . 1 . . 41 . . 73 PHE H . 50149 1
224 . 1 . 1 73 73 PHE CA C 13 59.989 0.017 . 1 . . 43 . . 73 PHE CA . 50149 1
225 . 1 . 1 73 73 PHE CB C 13 38.213 . . 1 . . 44 . . 73 PHE CB . 50149 1
226 . 1 . 1 73 73 PHE N N 15 120.910 0.024 . 1 . . 42 . . 73 PHE N . 50149 1
227 . 1 . 1 74 74 ALA H H 1 8.565 0.003 . 1 . . 46 . . 74 ALA H . 50149 1
228 . 1 . 1 74 74 ALA CA C 13 54.677 0.028 . 1 . . 48 . . 74 ALA CA . 50149 1
229 . 1 . 1 74 74 ALA CB C 13 17.409 0.03 . 1 . . 49 . . 74 ALA CB . 50149 1
230 . 1 . 1 74 74 ALA N N 15 121.575 0.062 . 1 . . 47 . . 74 ALA N . 50149 1
231 . 1 . 1 75 75 ALA H H 1 8.020 0.004 . 1 . . 50 . . 75 ALA H . 50149 1
232 . 1 . 1 75 75 ALA CA C 13 54.961 0.065 . 1 . . 53 . . 75 ALA CA . 50149 1
233 . 1 . 1 75 75 ALA CB C 13 17.641 0.04 . 1 . . 54 . . 75 ALA CB . 50149 1
234 . 1 . 1 75 75 ALA N N 15 117.959 0.029 . 1 . . 51 . . 75 ALA N . 50149 1
235 . 1 . 1 76 76 ASP H H 1 7.142 0.003 . 1 . . 55 . . 76 ASP H . 50149 1
236 . 1 . 1 76 76 ASP CA C 13 56.944 0.048 . 1 . . 58 . . 76 ASP CA . 50149 1
237 . 1 . 1 76 76 ASP CB C 13 39.767 0.006 . 1 . . 57 . . 76 ASP CB . 50149 1
238 . 1 . 1 76 76 ASP N N 15 119.787 0.018 . 1 . . 56 . . 76 ASP N . 50149 1
239 . 1 . 1 77 77 VAL H H 1 7.259 0.003 . 1 . . 60 . . 77 VAL H . 50149 1
240 . 1 . 1 77 77 VAL CA C 13 67.082 . . 1 . . 63 . . 77 VAL CA . 50149 1
241 . 1 . 1 77 77 VAL CB C 13 31.058 . . 1 . . 64 . . 77 VAL CB . 50149 1
242 . 1 . 1 77 77 VAL N N 15 120.028 0.042 . 1 . . 61 . . 77 VAL N . 50149 1
243 . 1 . 1 78 78 ARG H H 1 8.361 0.001 . 1 . . 357 . . 78 ARG H . 50149 1
244 . 1 . 1 78 78 ARG N N 15 115.440 0.037 . 1 . . 358 . . 78 ARG N . 50149 1
245 . 1 . 1 80 80 MET H H 1 7.274 0.003 . 1 . . 247 . . 80 MET H . 50149 1
246 . 1 . 1 80 80 MET CA C 13 59.579 0.09 . 1 . . 249 . . 80 MET CA . 50149 1
247 . 1 . 1 80 80 MET CB C 13 33.493 0.092 . 1 . . 250 . . 80 MET CB . 50149 1
248 . 1 . 1 80 80 MET N N 15 117.613 0.019 . 1 . . 248 . . 80 MET N . 50149 1
249 . 1 . 1 81 81 PHE H H 1 6.988 0.005 . 1 . . 322 . . 81 PHE H . 50149 1
250 . 1 . 1 81 81 PHE N N 15 117.372 0.018 . 1 . . 323 . . 81 PHE N . 50149 1
251 . 1 . 1 84 84 CYS H H 1 7.060 0.003 . 1 . . 252 . . 84 CYS H . 50149 1
252 . 1 . 1 84 84 CYS CA C 13 62.677 . . 1 . . 255 . . 84 CYS CA . 50149 1
253 . 1 . 1 84 84 CYS CB C 13 25.995 . . 1 . . 254 . . 84 CYS CB . 50149 1
254 . 1 . 1 84 84 CYS N N 15 120.439 0.04 . 1 . . 253 . . 84 CYS N . 50149 1
255 . 1 . 1 91 91 ASP H H 1 8.239 0.004 . 1 . . 206 . . 91 ASP H . 50149 1
256 . 1 . 1 91 91 ASP CA C 13 53.072 . . 1 . . 208 . . 91 ASP CA . 50149 1
257 . 1 . 1 91 91 ASP CB C 13 39.822 . . 1 . . 209 . . 91 ASP CB . 50149 1
258 . 1 . 1 91 91 ASP N N 15 113.927 0.03 . 1 . . 207 . . 91 ASP N . 50149 1
259 . 1 . 1 93 93 ASP H H 1 8.896 0.001 . 1 . . 352 . . 93 ASP H . 50149 1
260 . 1 . 1 93 93 ASP N N 15 130.264 0.041 . 1 . . 353 . . 93 ASP N . 50149 1
261 . 1 . 1 95 95 VAL H H 1 7.338 0.002 . 1 . . 360 . . 95 VAL H . 50149 1
262 . 1 . 1 95 95 VAL CA C 13 66.802 0.012 . 1 . . 362 . . 95 VAL CA . 50149 1
263 . 1 . 1 95 95 VAL CB C 13 31.289 . . 1 . . 363 . . 95 VAL CB . 50149 1
264 . 1 . 1 95 95 VAL N N 15 122.160 0.012 . 1 . . 361 . . 95 VAL N . 50149 1
265 . 1 . 1 96 96 ALA H H 1 7.210 0.002 . 1 . . 257 . . 96 ALA H . 50149 1
266 . 1 . 1 96 96 ALA CA C 13 55.152 0.032 . 1 . . 259 . . 96 ALA CA . 50149 1
267 . 1 . 1 96 96 ALA CB C 13 17.898 0.034 . 1 . . 260 . . 96 ALA CB . 50149 1
268 . 1 . 1 96 96 ALA N N 15 121.797 0.025 . 1 . . 258 . . 96 ALA N . 50149 1
269 . 1 . 1 97 97 MET H H 1 7.870 0.002 . 1 . . 262 . . 97 MET H . 50149 1
270 . 1 . 1 97 97 MET CA C 13 60.662 0.082 . 1 . . 264 . . 97 MET CA . 50149 1
271 . 1 . 1 97 97 MET CB C 13 32.105 0.046 . 1 . . 265 . . 97 MET CB . 50149 1
272 . 1 . 1 97 97 MET N N 15 118.712 0.027 . 1 . . 263 . . 97 MET N . 50149 1
273 . 1 . 1 98 98 ALA H H 1 8.712 0.002 . 1 . . 225 . . 98 ALA H . 50149 1
274 . 1 . 1 98 98 ALA CA C 13 55.591 . . 1 . . 227 . . 98 ALA CA . 50149 1
275 . 1 . 1 98 98 ALA CB C 13 20.056 . . 1 . . 228 . . 98 ALA CB . 50149 1
276 . 1 . 1 98 98 ALA N N 15 121.414 0.043 . 1 . . 226 . . 98 ALA N . 50149 1
277 . 1 . 1 100 100 LYS H H 1 7.405 0.002 . 1 . . 344 . . 100 LYS H . 50149 1
278 . 1 . 1 100 100 LYS CA C 13 59.176 0.026 . 1 . . 346 . . 100 LYS CA . 50149 1
279 . 1 . 1 100 100 LYS CB C 13 32.409 . . 1 . . 369 . . 100 LYS CB . 50149 1
280 . 1 . 1 100 100 LYS N N 15 118.759 0.028 . 1 . . 345 . . 100 LYS N . 50149 1
281 . 1 . 1 101 101 LEU H H 1 8.346 0.005 . 1 . . 370 . . 101 LEU H . 50149 1
282 . 1 . 1 101 101 LEU N N 15 120.793 0.038 . 1 . . 371 . . 101 LEU N . 50149 1
283 . 1 . 1 102 102 GLN H H 1 9.230 0.0 . 1 . . 270 . . 102 GLN H . 50149 1
284 . 1 . 1 102 102 GLN N N 15 121.553 0.006 . 1 . . 271 . . 102 GLN N . 50149 1
285 . 1 . 1 106 106 GLU H H 1 9.550 0.005 . 1 . . 331 . . 106 GLU H . 50149 1
286 . 1 . 1 106 106 GLU CA C 13 58.549 . . 1 . . 379 . . 106 GLU CA . 50149 1
287 . 1 . 1 106 106 GLU N N 15 117.234 0.063 . 1 . . 332 . . 106 GLU N . 50149 1
288 . 1 . 1 112 112 MET H H 1 6.974 0.001 . 1 . . 317 . . 112 MET H . 50149 1
289 . 1 . 1 112 112 MET CA C 13 53.935 . . 1 . . 320 . . 112 MET CA . 50149 1
290 . 1 . 1 112 112 MET CB C 13 33.183 . . 1 . . 319 . . 112 MET CB . 50149 1
291 . 1 . 1 112 112 MET N N 15 122.329 0.032 . 1 . . 318 . . 112 MET N . 50149 1
292 . 1 . 1 114 114 ASP H H 1 7.828 0.001 . 1 . . 140 . . 114 ASP H . 50149 1
293 . 1 . 1 114 114 ASP CA C 13 56.140 . . 1 . . 142 . . 114 ASP CA . 50149 1
294 . 1 . 1 114 114 ASP CB C 13 42.218 . . 1 . . 143 . . 114 ASP CB . 50149 1
295 . 1 . 1 114 114 ASP N N 15 125.315 0.025 . 1 . . 141 . . 114 ASP N . 50149 1
stop_
save_