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 50146
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name BRD4-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' . . . 50146 1
2 '3D CBCA(CO)NH' . . . 50146 1
3 '3D HNCO' . . . 50146 1
4 '3D HNCACB' . . . 50146 1
5 '3D HN(CO)CA' . . . 50146 1
6 '3D 1H-15N NOESY' . . . 50146 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 12 12 LEU H H 1 8.396 0.004 . 1 . . 41 . . 12 LEU H . 50146 1
2 . 1 . 1 12 12 LEU CA C 13 58.583 . . 1 . . 221 . . 12 LEU CA . 50146 1
3 . 1 . 1 12 12 LEU N N 15 121.322 0.037 . 1 . . 42 . . 12 LEU N . 50146 1
4 . 1 . 1 13 13 LYS H H 1 8.132 0.003 . 1 . . 9 . . 13 LYS H . 50146 1
5 . 1 . 1 13 13 LYS CA C 13 60.303 0.028 . 1 . . 201 . . 13 LYS CA . 50146 1
6 . 1 . 1 13 13 LYS CB C 13 31.996 0.054 . 1 . . 202 . . 13 LYS CB . 50146 1
7 . 1 . 1 13 13 LYS N N 15 123.289 0.018 . 1 . . 10 . . 13 LYS N . 50146 1
8 . 1 . 1 14 14 CYS H H 1 8.052 0.005 . 1 . . 146 . . 14 CYS H . 50146 1
9 . 1 . 1 14 14 CYS CA C 13 62.808 0.074 . 1 . . 293 . . 14 CYS CA . 50146 1
10 . 1 . 1 14 14 CYS CB C 13 26.187 0.083 . 1 . . 294 . . 14 CYS CB . 50146 1
11 . 1 . 1 14 14 CYS N N 15 121.057 0.029 . 1 . . 147 . . 14 CYS N . 50146 1
12 . 1 . 1 15 15 CYS H H 1 8.127 0.003 . 1 . . 183 . . 15 CYS H . 50146 1
13 . 1 . 1 15 15 CYS CA C 13 64.996 0.033 . 1 . . 327 . . 15 CYS CA . 50146 1
14 . 1 . 1 15 15 CYS CB C 13 25.234 0.028 . 1 . . 328 . . 15 CYS CB . 50146 1
15 . 1 . 1 15 15 CYS N N 15 119.168 0.034 . 1 . . 184 . . 15 CYS N . 50146 1
16 . 1 . 1 16 16 SER H H 1 7.827 0.008 . 1 . . 112 . . 16 SER H . 50146 1
17 . 1 . 1 16 16 SER CA C 13 62.463 0.059 . 1 . . 340 . . 16 SER CA . 50146 1
18 . 1 . 1 16 16 SER N N 15 114.342 0.023 . 1 . . 113 . . 16 SER N . 50146 1
19 . 1 . 1 17 17 GLY H H 1 7.815 0.005 . 1 . . 89 . . 17 GLY H . 50146 1
20 . 1 . 1 17 17 GLY CA C 13 47.395 0.012 . 1 . . 256 . . 17 GLY CA . 50146 1
21 . 1 . 1 17 17 GLY N N 15 108.896 0.025 . 1 . . 90 . . 17 GLY N . 50146 1
22 . 1 . 1 18 18 ILE H H 1 8.281 0.004 . 1 . . 31 . . 18 ILE H . 50146 1
23 . 1 . 1 18 18 ILE CA C 13 66.101 0.095 . 1 . . 216 . . 18 ILE CA . 50146 1
24 . 1 . 1 18 18 ILE CB C 13 38.377 0.049 . 1 . . 217 . . 18 ILE CB . 50146 1
25 . 1 . 1 18 18 ILE N N 15 124.985 0.039 . 1 . . 32 . . 18 ILE N . 50146 1
26 . 1 . 1 19 19 LEU H H 1 8.319 0.003 . 1 . . 161 . . 19 LEU H . 50146 1
27 . 1 . 1 19 19 LEU CA C 13 57.916 0.037 . 1 . . 307 . . 19 LEU CA . 50146 1
28 . 1 . 1 19 19 LEU CB C 13 42.239 0.011 . 1 . . 308 . . 19 LEU CB . 50146 1
29 . 1 . 1 19 19 LEU N N 15 121.056 0.017 . 1 . . 162 . . 19 LEU N . 50146 1
30 . 1 . 1 20 20 LYS H H 1 8.335 0.006 . 1 . . 103 . . 20 LYS H . 50146 1
31 . 1 . 1 20 20 LYS CA C 13 60.448 0.049 . 1 . . 266 . . 20 LYS CA . 50146 1
32 . 1 . 1 20 20 LYS CB C 13 32.638 0.01 . 1 . . 267 . . 20 LYS CB . 50146 1
33 . 1 . 1 20 20 LYS N N 15 117.751 0.041 . 1 . . 104 . . 20 LYS N . 50146 1
34 . 1 . 1 21 21 GLU H H 1 7.919 0.004 . 1 . . 99 . . 21 GLU H . 50146 1
35 . 1 . 1 21 21 GLU CA C 13 59.170 0.018 . 1 . . 262 . . 21 GLU CA . 50146 1
36 . 1 . 1 21 21 GLU CB C 13 28.163 0.024 . 1 . . 263 . . 21 GLU CB . 50146 1
37 . 1 . 1 21 21 GLU N N 15 120.266 0.027 . 1 . . 100 . . 21 GLU N . 50146 1
38 . 1 . 1 22 22 MET H H 1 8.300 0.004 . 1 . . 108 . . 22 MET H . 50146 1
39 . 1 . 1 22 22 MET CA C 13 60.309 0.032 . 1 . . 268 . . 22 MET CA . 50146 1
40 . 1 . 1 22 22 MET CB C 13 34.530 0.02 . 1 . . 269 . . 22 MET CB . 50146 1
41 . 1 . 1 22 22 MET N N 15 118.156 0.054 . 1 . . 109 . . 22 MET N . 50146 1
42 . 1 . 1 23 23 PHE H H 1 7.824 0.005 . 1 . . 130 . . 23 PHE H . 50146 1
43 . 1 . 1 23 23 PHE CA C 13 60.522 0.019 . 1 . . 280 . . 23 PHE CA . 50146 1
44 . 1 . 1 23 23 PHE CB C 13 41.066 0.001 . 1 . . 281 . . 23 PHE CB . 50146 1
45 . 1 . 1 23 23 PHE N N 15 116.970 0.042 . 1 . . 131 . . 23 PHE N . 50146 1
46 . 1 . 1 24 24 ALA H H 1 8.071 0.005 . 1 . . 25 . . 24 ALA H . 50146 1
47 . 1 . 1 24 24 ALA CA C 13 53.201 . . 1 . . 212 . . 24 ALA CA . 50146 1
48 . 1 . 1 24 24 ALA CB C 13 20.186 . . 1 . . 213 . . 24 ALA CB . 50146 1
49 . 1 . 1 24 24 ALA N N 15 123.872 0.013 . 1 . . 26 . . 24 ALA N . 50146 1
50 . 1 . 1 27 27 HIS H H 1 7.050 0.005 . 1 . . 77 . . 27 HIS H . 50146 1
51 . 1 . 1 27 27 HIS CA C 13 54.484 0.017 . 1 . . 244 . . 27 HIS CA . 50146 1
52 . 1 . 1 27 27 HIS CB C 13 31.391 0.015 . 1 . . 245 . . 27 HIS CB . 50146 1
53 . 1 . 1 27 27 HIS N N 15 115.777 0.029 . 1 . . 78 . . 27 HIS N . 50146 1
54 . 1 . 1 28 28 ALA H H 1 7.652 0.004 . 1 . . 122 . . 28 ALA H . 50146 1
55 . 1 . 1 28 28 ALA CA C 13 55.898 0.016 . 1 . . 276 . . 28 ALA CA . 50146 1
56 . 1 . 1 28 28 ALA CB C 13 19.543 0.016 . 1 . . 277 . . 28 ALA CB . 50146 1
57 . 1 . 1 28 28 ALA N N 15 122.328 0.018 . 1 . . 123 . . 28 ALA N . 50146 1
58 . 1 . 1 29 29 ALA H H 1 8.530 0.005 . 1 . . 53 . . 29 ALA H . 50146 1
59 . 1 . 1 29 29 ALA CA C 13 54.849 0.044 . 1 . . 229 . . 29 ALA CA . 50146 1
60 . 1 . 1 29 29 ALA CB C 13 18.767 0.067 . 1 . . 230 . . 29 ALA CB . 50146 1
61 . 1 . 1 29 29 ALA N N 15 116.999 0.024 . 1 . . 54 . . 29 ALA N . 50146 1
62 . 1 . 1 30 30 TYR H H 1 7.026 0.007 . 1 . . 7 . . 30 TYR H . 50146 1
63 . 1 . 1 30 30 TYR CA C 13 54.733 0.032 . 1 . . 199 . . 30 TYR CA . 50146 1
64 . 1 . 1 30 30 TYR CB C 13 38.941 0.015 . 1 . . 200 . . 30 TYR CB . 50146 1
65 . 1 . 1 30 30 TYR N N 15 110.663 0.011 . 1 . . 8 . . 30 TYR N . 50146 1
66 . 1 . 1 31 31 ALA H H 1 7.935 0.004 . 1 . . 144 . . 31 ALA H . 50146 1
67 . 1 . 1 31 31 ALA CA C 13 52.408 0.032 . 1 . . 291 . . 31 ALA CA . 50146 1
68 . 1 . 1 31 31 ALA CB C 13 22.331 0.034 . 1 . . 292 . . 31 ALA CB . 50146 1
69 . 1 . 1 31 31 ALA N N 15 119.534 0.016 . 1 . . 145 . . 31 ALA N . 50146 1
70 . 1 . 1 32 32 TRP H H 1 6.859 0.008 . 1 . . 47 . . 32 TRP H . 50146 1
71 . 1 . 1 32 32 TRP CA C 13 59.159 . . 1 . . 226 . . 32 TRP CA . 50146 1
72 . 1 . 1 32 32 TRP CB C 13 27.469 . . 1 . . 227 . . 32 TRP CB . 50146 1
73 . 1 . 1 32 32 TRP N N 15 114.697 0.014 . 1 . . 48 . . 32 TRP N . 50146 1
74 . 1 . 1 34 34 PHE H H 1 7.632 0.005 . 1 . . 79 . . 34 PHE H . 50146 1
75 . 1 . 1 34 34 PHE CA C 13 57.423 0.037 . 1 . . 246 . . 34 PHE CA . 50146 1
76 . 1 . 1 34 34 PHE CB C 13 38.266 0.006 . 1 . . 247 . . 34 PHE CB . 50146 1
77 . 1 . 1 34 34 PHE N N 15 113.564 0.023 . 1 . . 80 . . 34 PHE N . 50146 1
78 . 1 . 1 35 35 TYR H H 1 7.307 0.007 . 1 . . 87 . . 35 TYR H . 50146 1
79 . 1 . 1 35 35 TYR CA C 13 58.025 0.023 . 1 . . 254 . . 35 TYR CA . 50146 1
80 . 1 . 1 35 35 TYR CB C 13 38.411 0.022 . 1 . . 255 . . 35 TYR CB . 50146 1
81 . 1 . 1 35 35 TYR N N 15 117.610 0.027 . 1 . . 88 . . 35 TYR N . 50146 1
82 . 1 . 1 36 36 LYS H H 1 7.824 0.003 . 1 . . 5 . . 36 LYS H . 50146 1
83 . 1 . 1 36 36 LYS CA C 13 53.417 . . 1 . . 197 . . 36 LYS CA . 50146 1
84 . 1 . 1 36 36 LYS CB C 13 33.796 . . 1 . . 198 . . 36 LYS CB . 50146 1
85 . 1 . 1 36 36 LYS N N 15 115.404 0.013 . 1 . . 6 . . 36 LYS N . 50146 1
86 . 1 . 1 38 38 VAL H H 1 8.446 0.005 . 1 . . 83 . . 38 VAL H . 50146 1
87 . 1 . 1 38 38 VAL CA C 13 64.161 0.081 . 1 . . 250 . . 38 VAL CA . 50146 1
88 . 1 . 1 38 38 VAL CB C 13 32.031 0.05 . 1 . . 251 . . 38 VAL CB . 50146 1
89 . 1 . 1 38 38 VAL N N 15 125.219 0.047 . 1 . . 84 . . 38 VAL N . 50146 1
90 . 1 . 1 39 39 ASP H H 1 8.443 0.004 . 1 . . 35 . . 39 ASP H . 50146 1
91 . 1 . 1 39 39 ASP CB C 13 39.697 0.001 . 1 . . 220 . . 39 ASP CB . 50146 1
92 . 1 . 1 39 39 ASP N N 15 128.943 0.03 . 1 . . 36 . . 39 ASP N . 50146 1
93 . 1 . 1 40 40 VAL H H 1 7.622 0.006 . 1 . . 189 . . 40 VAL H . 50146 1
94 . 1 . 1 40 40 VAL CA C 13 65.019 0.019 . 1 . . 331 . . 40 VAL CA . 50146 1
95 . 1 . 1 40 40 VAL CB C 13 31.253 0.014 . 1 . . 332 . . 40 VAL CB . 50146 1
96 . 1 . 1 40 40 VAL N N 15 119.539 0.007 . 1 . . 190 . . 40 VAL N . 50146 1
97 . 1 . 1 41 41 GLU H H 1 8.227 0.004 . 1 . . 132 . . 41 GLU H . 50146 1
98 . 1 . 1 41 41 GLU CA C 13 58.326 . . 1 . . 282 . . 41 GLU CA . 50146 1
99 . 1 . 1 41 41 GLU CB C 13 29.550 0.038 . 1 . . 283 . . 41 GLU CB . 50146 1
100 . 1 . 1 41 41 GLU N N 15 119.314 0.017 . 1 . . 133 . . 41 GLU N . 50146 1
101 . 1 . 1 42 42 ALA H H 1 7.746 0.006 . 1 . . 101 . . 42 ALA H . 50146 1
102 . 1 . 1 42 42 ALA CA C 13 53.900 0.065 . 1 . . 264 . . 42 ALA CA . 50146 1
103 . 1 . 1 42 42 ALA CB C 13 18.909 0.008 . 1 . . 265 . . 42 ALA CB . 50146 1
104 . 1 . 1 42 42 ALA N N 15 123.146 0.014 . 1 . . 102 . . 42 ALA N . 50146 1
105 . 1 . 1 43 43 LEU H H 1 7.862 0.007 . 1 . . 128 . . 43 LEU H . 50146 1
106 . 1 . 1 43 43 LEU CA C 13 55.473 0.081 . 1 . . 352 . . 43 LEU CA . 50146 1
107 . 1 . 1 43 43 LEU CB C 13 42.933 . . 1 . . 353 . . 43 LEU CB . 50146 1
108 . 1 . 1 43 43 LEU N N 15 116.044 0.05 . 1 . . 129 . . 43 LEU N . 50146 1
109 . 1 . 1 44 44 GLY H H 1 7.926 0.009 . 1 . . 21 . . 44 GLY H . 50146 1
110 . 1 . 1 44 44 GLY CA C 13 46.480 0.003 . 1 . . 209 . . 44 GLY CA . 50146 1
111 . 1 . 1 44 44 GLY N N 15 109.959 0.041 . 1 . . 22 . . 44 GLY N . 50146 1
112 . 1 . 1 45 45 LEU H H 1 7.802 0.003 . 1 . . 341 . . 45 LEU H . 50146 1
113 . 1 . 1 45 45 LEU CA C 13 52.856 . . 1 . . 343 . . 45 LEU CA . 50146 1
114 . 1 . 1 45 45 LEU CB C 13 40.791 . . 1 . . 346 . . 45 LEU CB . 50146 1
115 . 1 . 1 45 45 LEU N N 15 119.803 0.018 . 1 . . 342 . . 45 LEU N . 50146 1
116 . 1 . 1 47 47 ASP H H 1 8.422 0.009 . 1 . . 19 . . 47 ASP H . 50146 1
117 . 1 . 1 47 47 ASP CA C 13 53.205 0.041 . 1 . . 207 . . 47 ASP CA . 50146 1
118 . 1 . 1 47 47 ASP CB C 13 40.578 0.045 . 1 . . 208 . . 47 ASP CB . 50146 1
119 . 1 . 1 47 47 ASP N N 15 116.895 0.032 . 1 . . 20 . . 47 ASP N . 50146 1
120 . 1 . 1 48 48 TYR H H 1 7.728 0.006 . 1 . . 85 . . 48 TYR H . 50146 1
121 . 1 . 1 48 48 TYR CA C 13 63.421 0.043 . 1 . . 252 . . 48 TYR CA . 50146 1
122 . 1 . 1 48 48 TYR CB C 13 39.778 0.067 . 1 . . 253 . . 48 TYR CB . 50146 1
123 . 1 . 1 48 48 TYR N N 15 123.638 0.041 . 1 . . 86 . . 48 TYR N . 50146 1
124 . 1 . 1 49 49 CYS H H 1 8.466 0.005 . 1 . . 171 . . 49 CYS H . 50146 1
125 . 1 . 1 49 49 CYS CA C 13 60.280 0.029 . 1 . . 316 . . 49 CYS CA . 50146 1
126 . 1 . 1 49 49 CYS CB C 13 26.964 0.061 . 1 . . 315 . . 49 CYS CB . 50146 1
127 . 1 . 1 49 49 CYS N N 15 112.982 0.021 . 1 . . 172 . . 49 CYS N . 50146 1
128 . 1 . 1 50 50 ASP H H 1 7.425 0.005 . 1 . . 55 . . 50 ASP H . 50146 1
129 . 1 . 1 50 50 ASP CA C 13 55.906 0.005 . 1 . . 231 . . 50 ASP CA . 50146 1
130 . 1 . 1 50 50 ASP CB C 13 41.116 0.004 . 1 . . 232 . . 50 ASP CB . 50146 1
131 . 1 . 1 50 50 ASP N N 15 118.546 0.02 . 1 . . 56 . . 50 ASP N . 50146 1
132 . 1 . 1 51 51 ILE H H 1 7.183 0.007 . 1 . . 1 . . 51 ILE H . 50146 1
133 . 1 . 1 51 51 ILE CA C 13 62.209 0.034 . 1 . . 193 . . 51 ILE CA . 50146 1
134 . 1 . 1 51 51 ILE CB C 13 39.982 . . 1 . . 194 . . 51 ILE CB . 50146 1
135 . 1 . 1 51 51 ILE N N 15 118.895 0.014 . 1 . . 2 . . 51 ILE N . 50146 1
136 . 1 . 1 52 52 ILE H H 1 8.494 0.006 . 1 . . 11 . . 52 ILE H . 50146 1
137 . 1 . 1 52 52 ILE CA C 13 57.016 0.0 . 1 . . 364 . . 52 ILE CA . 50146 1
138 . 1 . 1 52 52 ILE N N 15 122.236 0.027 . 1 . . 12 . . 52 ILE N . 50146 1
139 . 1 . 1 53 53 LYS H H 1 7.718 0.002 . 1 . . 365 . . 53 LYS H . 50146 1
140 . 1 . 1 53 53 LYS CA C 13 56.293 0.041 . 1 . . 367 . . 53 LYS CA . 50146 1
141 . 1 . 1 53 53 LYS N N 15 123.404 0.009 . 1 . . 366 . . 53 LYS N . 50146 1
142 . 1 . 1 54 54 HIS H H 1 8.225 0.008 . 1 . . 138 . . 54 HIS H . 50146 1
143 . 1 . 1 54 54 HIS CA C 13 52.298 . . 1 . . 368 . . 54 HIS CA . 50146 1
144 . 1 . 1 54 54 HIS CB C 13 30.150 . . 1 . . 286 . . 54 HIS CB . 50146 1
145 . 1 . 1 54 54 HIS N N 15 116.838 0.066 . 1 . . 139 . . 54 HIS N . 50146 1
146 . 1 . 1 56 56 MET H H 1 8.261 0.004 . 1 . . 169 . . 56 MET H . 50146 1
147 . 1 . 1 56 56 MET CA C 13 53.898 0.013 . 1 . . 313 . . 56 MET CA . 50146 1
148 . 1 . 1 56 56 MET CB C 13 32.009 0.024 . 1 . . 314 . . 56 MET CB . 50146 1
149 . 1 . 1 56 56 MET N N 15 119.054 0.048 . 1 . . 170 . . 56 MET N . 50146 1
150 . 1 . 1 57 57 ASP H H 1 7.213 0.005 . 1 . . 13 . . 57 ASP H . 50146 1
151 . 1 . 1 57 57 ASP CA C 13 53.617 0.024 . 1 . . 203 . . 57 ASP CA . 50146 1
152 . 1 . 1 57 57 ASP CB C 13 44.590 0.046 . 1 . . 204 . . 57 ASP CB . 50146 1
153 . 1 . 1 57 57 ASP N N 15 119.655 0.04 . 1 . . 14 . . 57 ASP N . 50146 1
154 . 1 . 1 58 58 MET H H 1 8.977 0.004 . 1 . . 15 . . 58 MET H . 50146 1
155 . 1 . 1 58 58 MET CA C 13 60.812 0.017 . 1 . . 205 . . 58 MET CA . 50146 1
156 . 1 . 1 58 58 MET CB C 13 35.444 0.06 . 1 . . 206 . . 58 MET CB . 50146 1
157 . 1 . 1 58 58 MET N N 15 117.798 0.051 . 1 . . 16 . . 58 MET N . 50146 1
158 . 1 . 1 59 59 SER H H 1 8.810 0.006 . 1 . . 177 . . 59 SER H . 50146 1
159 . 1 . 1 59 59 SER CA C 13 63.649 0.049 . 1 . . 321 . . 59 SER CA . 50146 1
160 . 1 . 1 59 59 SER CB C 13 62.437 0.026 . 1 . . 322 . . 59 SER CB . 50146 1
161 . 1 . 1 59 59 SER N N 15 119.472 0.053 . 1 . . 178 . . 59 SER N . 50146 1
162 . 1 . 1 60 60 THR H H 1 8.395 0.008 . 1 . . 43 . . 60 THR H . 50146 1
163 . 1 . 1 60 60 THR CA C 13 67.060 . . 1 . . 222 . . 60 THR CA . 50146 1
164 . 1 . 1 60 60 THR CB C 13 67.682 0.071 . 1 . . 223 . . 60 THR CB . 50146 1
165 . 1 . 1 60 60 THR N N 15 126.271 0.034 . 1 . . 44 . . 60 THR N . 50146 1
166 . 1 . 1 61 61 ILE H H 1 7.679 0.002 . 1 . . 23 . . 61 ILE H . 50146 1
167 . 1 . 1 61 61 ILE CA C 13 65.308 0.078 . 1 . . 210 . . 61 ILE CA . 50146 1
168 . 1 . 1 61 61 ILE CB C 13 38.605 0.075 . 1 . . 211 . . 61 ILE CB . 50146 1
169 . 1 . 1 61 61 ILE N N 15 123.200 0.021 . 1 . . 24 . . 61 ILE N . 50146 1
170 . 1 . 1 62 62 LYS H H 1 8.472 0.005 . 1 . . 57 . . 62 LYS H . 50146 1
171 . 1 . 1 62 62 LYS CB C 13 33.377 0.007 . 1 . . 234 . . 62 LYS CB . 50146 1
172 . 1 . 1 62 62 LYS N N 15 120.471 0.021 . 1 . . 58 . . 62 LYS N . 50146 1
173 . 1 . 1 63 63 SER H H 1 8.213 0.003 . 1 . . 118 . . 63 SER H . 50146 1
174 . 1 . 1 63 63 SER CB C 13 62.795 0.095 . 1 . . 275 . . 63 SER CB . 50146 1
175 . 1 . 1 63 63 SER N N 15 114.679 0.022 . 1 . . 119 . . 63 SER N . 50146 1
176 . 1 . 1 64 64 LYS H H 1 8.374 0.004 . 1 . . 354 . . 64 LYS H . 50146 1
177 . 1 . 1 64 64 LYS CA C 13 60.615 0.03 . 1 . . 356 . . 64 LYS CA . 50146 1
178 . 1 . 1 64 64 LYS CB C 13 31.999 0.036 . 1 . . 357 . . 64 LYS CB . 50146 1
179 . 1 . 1 64 64 LYS N N 15 123.776 0.017 . 1 . . 355 . . 64 LYS N . 50146 1
180 . 1 . 1 65 65 LEU H H 1 8.766 0.003 . 1 . . 33 . . 65 LEU H . 50146 1
181 . 1 . 1 65 65 LEU CA C 13 58.355 0.018 . 1 . . 218 . . 65 LEU CA . 50146 1
182 . 1 . 1 65 65 LEU CB C 13 42.820 0.067 . 1 . . 219 . . 65 LEU CB . 50146 1
183 . 1 . 1 65 65 LEU N N 15 121.280 0.011 . 1 . . 34 . . 65 LEU N . 50146 1
184 . 1 . 1 66 66 GLU H H 1 8.671 0.005 . 1 . . 3 . . 66 GLU H . 50146 1
185 . 1 . 1 66 66 GLU CA C 13 59.377 0.024 . 1 . . 195 . . 66 GLU CA . 50146 1
186 . 1 . 1 66 66 GLU CB C 13 29.145 0.05 . 1 . . 196 . . 66 GLU CB . 50146 1
187 . 1 . 1 66 66 GLU N N 15 121.019 0.015 . 1 . . 4 . . 66 GLU N . 50146 1
188 . 1 . 1 67 67 ALA H H 1 7.833 0.005 . 1 . . 136 . . 67 ALA H . 50146 1
189 . 1 . 1 67 67 ALA CA C 13 51.966 0.028 . 1 . . 284 . . 67 ALA CA . 50146 1
190 . 1 . 1 67 67 ALA CB C 13 18.917 0.015 . 1 . . 285 . . 67 ALA CB . 50146 1
191 . 1 . 1 67 67 ALA N N 15 119.763 0.009 . 1 . . 137 . . 67 ALA N . 50146 1
192 . 1 . 1 68 68 ARG H H 1 7.885 0.005 . 1 . . 110 . . 68 ARG H . 50146 1
193 . 1 . 1 68 68 ARG CA C 13 57.054 0.015 . 1 . . 270 . . 68 ARG CA . 50146 1
194 . 1 . 1 68 68 ARG CB C 13 26.115 0.039 . 1 . . 271 . . 68 ARG CB . 50146 1
195 . 1 . 1 68 68 ARG N N 15 114.697 0.022 . 1 . . 111 . . 68 ARG N . 50146 1
196 . 1 . 1 69 69 GLU H H 1 8.438 0.004 . 1 . . 95 . . 69 GLU H . 50146 1
197 . 1 . 1 69 69 GLU CA C 13 57.512 0.006 . 1 . . 259 . . 69 GLU CA . 50146 1
198 . 1 . 1 69 69 GLU CB C 13 30.302 0.014 . 1 . . 260 . . 69 GLU CB . 50146 1
199 . 1 . 1 69 69 GLU N N 15 115.363 0.015 . 1 . . 96 . . 69 GLU N . 50146 1
200 . 1 . 1 70 70 TYR H H 1 7.303 0.007 . 1 . . 159 . . 70 TYR H . 50146 1
201 . 1 . 1 70 70 TYR CA C 13 57.266 0.012 . 1 . . 305 . . 70 TYR CA . 50146 1
202 . 1 . 1 70 70 TYR CB C 13 38.683 0.003 . 1 . . 306 . . 70 TYR CB . 50146 1
203 . 1 . 1 70 70 TYR N N 15 115.852 0.015 . 1 . . 160 . . 70 TYR N . 50146 1
204 . 1 . 1 71 71 ARG H H 1 9.603 0.004 . 1 . . 191 . . 71 ARG H . 50146 1
205 . 1 . 1 71 71 ARG CA C 13 57.724 0.011 . 1 . . 333 . . 71 ARG CA . 50146 1
206 . 1 . 1 71 71 ARG CB C 13 31.058 0.058 . 1 . . 334 . . 71 ARG CB . 50146 1
207 . 1 . 1 71 71 ARG N N 15 123.496 0.023 . 1 . . 192 . . 71 ARG N . 50146 1
208 . 1 . 1 72 72 ASP H H 1 7.512 0.005 . 1 . . 336 . . 72 ASP H . 50146 1
209 . 1 . 1 72 72 ASP CA C 13 52.740 0.043 . 1 . . 338 . . 72 ASP CA . 50146 1
210 . 1 . 1 72 72 ASP CB C 13 42.467 0.005 . 1 . . 339 . . 72 ASP CB . 50146 1
211 . 1 . 1 72 72 ASP N N 15 111.011 0.014 . 1 . . 337 . . 72 ASP N . 50146 1
212 . 1 . 1 73 73 ALA H H 1 9.035 0.005 . 1 . . 142 . . 73 ALA H . 50146 1
213 . 1 . 1 73 73 ALA CA C 13 54.506 0.0 . 1 . . 289 . . 73 ALA CA . 50146 1
214 . 1 . 1 73 73 ALA CB C 13 19.976 0.01 . 1 . . 290 . . 73 ALA CB . 50146 1
215 . 1 . 1 73 73 ALA N N 15 118.927 0.03 . 1 . . 143 . . 73 ALA N . 50146 1
216 . 1 . 1 74 74 GLN H H 1 8.458 0.005 . 1 . . 65 . . 74 GLN H . 50146 1
217 . 1 . 1 74 74 GLN CA C 13 59.283 0.076 . 1 . . 237 . . 74 GLN CA . 50146 1
218 . 1 . 1 74 74 GLN CB C 13 27.279 0.08 . 1 . . 238 . . 74 GLN CB . 50146 1
219 . 1 . 1 74 74 GLN N N 15 118.284 0.022 . 1 . . 66 . . 74 GLN N . 50146 1
220 . 1 . 1 75 75 GLU H H 1 8.389 0.005 . 1 . . 116 . . 75 GLU H . 50146 1
221 . 1 . 1 75 75 GLU CA C 13 59.813 0.03 . 1 . . 272 . . 75 GLU CA . 50146 1
222 . 1 . 1 75 75 GLU CB C 13 30.987 0.008 . 1 . . 273 . . 75 GLU CB . 50146 1
223 . 1 . 1 75 75 GLU N N 15 122.011 0.067 . 1 . . 117 . . 75 GLU N . 50146 1
224 . 1 . 1 76 76 PHE H H 1 6.827 0.006 . 1 . . 163 . . 76 PHE H . 50146 1
225 . 1 . 1 76 76 PHE CA C 13 60.308 0.022 . 1 . . 309 . . 76 PHE CA . 50146 1
226 . 1 . 1 76 76 PHE CB C 13 38.456 0.032 . 1 . . 310 . . 76 PHE CB . 50146 1
227 . 1 . 1 76 76 PHE N N 15 120.809 0.022 . 1 . . 164 . . 76 PHE N . 50146 1
228 . 1 . 1 77 77 GLY H H 1 8.866 0.006 . 1 . . 69 . . 77 GLY H . 50146 1
229 . 1 . 1 77 77 GLY CA C 13 47.232 0.057 . 1 . . 239 . . 77 GLY CA . 50146 1
230 . 1 . 1 77 77 GLY N N 15 106.627 0.058 . 1 . . 70 . . 77 GLY N . 50146 1
231 . 1 . 1 78 78 ALA H H 1 7.996 0.003 . 1 . . 151 . . 78 ALA H . 50146 1
232 . 1 . 1 78 78 ALA CA C 13 54.968 0.021 . 1 . . 299 . . 78 ALA CA . 50146 1
233 . 1 . 1 78 78 ALA CB C 13 17.852 0.008 . 1 . . 300 . . 78 ALA CB . 50146 1
234 . 1 . 1 78 78 ALA N N 15 121.705 0.011 . 1 . . 152 . . 78 ALA N . 50146 1
235 . 1 . 1 79 79 ASP H H 1 7.127 0.006 . 1 . . 148 . . 79 ASP H . 50146 1
236 . 1 . 1 79 79 ASP CA C 13 56.762 0.042 . 1 . . 296 . . 79 ASP CA . 50146 1
237 . 1 . 1 79 79 ASP CB C 13 39.491 0.004 . 1 . . 295 . . 79 ASP CB . 50146 1
238 . 1 . 1 79 79 ASP N N 15 120.700 0.022 . 1 . . 149 . . 79 ASP N . 50146 1
239 . 1 . 1 80 80 VAL H H 1 7.249 0.005 . 1 . . 157 . . 80 VAL H . 50146 1
240 . 1 . 1 80 80 VAL CA C 13 66.558 0.033 . 1 . . 303 . . 80 VAL CA . 50146 1
241 . 1 . 1 80 80 VAL CB C 13 30.954 . . 1 . . 304 . . 80 VAL CB . 50146 1
242 . 1 . 1 80 80 VAL N N 15 120.036 0.02 . 1 . . 158 . . 80 VAL N . 50146 1
243 . 1 . 1 81 81 ARG H H 1 8.045 0.005 . 1 . . 91 . . 81 ARG H . 50146 1
244 . 1 . 1 81 81 ARG CA C 13 60.744 . . 1 . . 257 . . 81 ARG CA . 50146 1
245 . 1 . 1 81 81 ARG CB C 13 29.341 . . 1 . . 258 . . 81 ARG CB . 50146 1
246 . 1 . 1 81 81 ARG N N 15 115.420 0.028 . 1 . . 92 . . 81 ARG N . 50146 1
247 . 1 . 1 82 82 LEU H H 1 7.859 . . 1 . . 134 . . 82 LEU H . 50146 1
248 . 1 . 1 82 82 LEU N N 15 123.722 . . 1 . . 135 . . 82 LEU N . 50146 1
249 . 1 . 1 83 83 MET H H 1 7.270 0.003 . 1 . . 71 . . 83 MET H . 50146 1
250 . 1 . 1 83 83 MET CA C 13 59.460 . . 1 . . 240 . . 83 MET CA . 50146 1
251 . 1 . 1 83 83 MET CB C 13 33.628 . . 1 . . 241 . . 83 MET CB . 50146 1
252 . 1 . 1 83 83 MET N N 15 117.811 0.013 . 1 . . 72 . . 83 MET N . 50146 1
253 . 1 . 1 84 84 PHE H H 1 6.965 0.003 . 1 . . 153 . . 84 PHE H . 50146 1
254 . 1 . 1 84 84 PHE CA C 13 60.650 . . 1 . . 369 . . 84 PHE CA . 50146 1
255 . 1 . 1 84 84 PHE N N 15 116.932 0.01 . 1 . . 154 . . 84 PHE N . 50146 1
256 . 1 . 1 85 85 SER H H 1 9.017 . . 1 . . 370 . . 85 SER H . 50146 1
257 . 1 . 1 85 85 SER N N 15 115.920 . . 1 . . 371 . . 85 SER N . 50146 1
258 . 1 . 1 86 86 ASN H H 1 8.804 . . 1 . . 372 . . 86 ASN H . 50146 1
259 . 1 . 1 86 86 ASN N N 15 119.424 . . 1 . . 373 . . 86 ASN N . 50146 1
260 . 1 . 1 87 87 CYS H H 1 7.012 0.005 . 1 . . 73 . . 87 CYS H . 50146 1
261 . 1 . 1 87 87 CYS CA C 13 62.440 . . 1 . . 242 . . 87 CYS CA . 50146 1
262 . 1 . 1 87 87 CYS CB C 13 25.818 . . 1 . . 243 . . 87 CYS CB . 50146 1
263 . 1 . 1 87 87 CYS N N 15 120.506 0.02 . 1 . . 74 . . 87 CYS N . 50146 1
264 . 1 . 1 88 88 TYR H H 1 7.880 . . 1 . . 63 . . 88 TYR H . 50146 1
265 . 1 . 1 88 88 TYR N N 15 117.560 . . 1 . . 64 . . 88 TYR N . 50146 1
266 . 1 . 1 91 91 ASN H H 1 7.452 0.006 . 1 . . 51 . . 91 ASN H . 50146 1
267 . 1 . 1 91 91 ASN N N 15 113.419 0.027 . 1 . . 52 . . 91 ASN N . 50146 1
268 . 1 . 1 94 94 ASP H H 1 8.246 0.005 . 1 . . 126 . . 94 ASP H . 50146 1
269 . 1 . 1 94 94 ASP CA C 13 53.048 0.046 . 1 . . 278 . . 94 ASP CA . 50146 1
270 . 1 . 1 94 94 ASP CB C 13 39.956 0.028 . 1 . . 279 . . 94 ASP CB . 50146 1
271 . 1 . 1 94 94 ASP N N 15 113.906 0.119 . 1 . . 127 . . 94 ASP N . 50146 1
272 . 1 . 1 95 95 HIS H H 1 7.956 0.009 . 1 . . 173 . . 95 HIS H . 50146 1
273 . 1 . 1 95 95 HIS CA C 13 58.725 0.051 . 1 . . 318 . . 95 HIS CA . 50146 1
274 . 1 . 1 95 95 HIS CB C 13 32.907 0.005 . 1 . . 317 . . 95 HIS CB . 50146 1
275 . 1 . 1 95 95 HIS N N 15 122.719 0.036 . 1 . . 174 . . 95 HIS N . 50146 1
276 . 1 . 1 96 96 GLU H H 1 9.108 0.005 . 1 . . 29 . . 96 GLU H . 50146 1
277 . 1 . 1 96 96 GLU CA C 13 59.991 . . 1 . . 214 . . 96 GLU CA . 50146 1
278 . 1 . 1 96 96 GLU CB C 13 29.586 . . 1 . . 215 . . 96 GLU CB . 50146 1
279 . 1 . 1 96 96 GLU N N 15 131.285 0.04 . 1 . . 30 . . 96 GLU N . 50146 1
280 . 1 . 1 98 98 VAL H H 1 7.421 0.005 . 1 . . 179 . . 98 VAL H . 50146 1
281 . 1 . 1 98 98 VAL CA C 13 66.739 0.066 . 1 . . 323 . . 98 VAL CA . 50146 1
282 . 1 . 1 98 98 VAL CB C 13 31.372 0.035 . 1 . . 324 . . 98 VAL CB . 50146 1
283 . 1 . 1 98 98 VAL N N 15 122.390 0.019 . 1 . . 180 . . 98 VAL N . 50146 1
284 . 1 . 1 99 99 ALA H H 1 7.124 0.01 . 1 . . 187 . . 99 ALA H . 50146 1
285 . 1 . 1 99 99 ALA CA C 13 55.102 0.043 . 1 . . 329 . . 99 ALA CA . 50146 1
286 . 1 . 1 99 99 ALA CB C 13 17.855 0.022 . 1 . . 330 . . 99 ALA CB . 50146 1
287 . 1 . 1 99 99 ALA N N 15 121.718 0.023 . 1 . . 188 . . 99 ALA N . 50146 1
288 . 1 . 1 100 100 MET H H 1 7.880 0.006 . 1 . . 165 . . 100 MET H . 50146 1
289 . 1 . 1 100 100 MET CA C 13 60.627 0.033 . 1 . . 358 . . 100 MET CA . 50146 1
290 . 1 . 1 100 100 MET CB C 13 31.876 0.029 . 1 . . 359 . . 100 MET CB . 50146 1
291 . 1 . 1 100 100 MET N N 15 118.976 0.038 . 1 . . 166 . . 100 MET N . 50146 1
292 . 1 . 1 101 101 ALA H H 1 8.673 0.004 . 1 . . 140 . . 101 ALA H . 50146 1
293 . 1 . 1 101 101 ALA CA C 13 55.490 0.069 . 1 . . 287 . . 101 ALA CA . 50146 1
294 . 1 . 1 101 101 ALA CB C 13 19.867 0.027 . 1 . . 288 . . 101 ALA CB . 50146 1
295 . 1 . 1 101 101 ALA N N 15 121.389 0.038 . 1 . . 141 . . 101 ALA N . 50146 1
296 . 1 . 1 102 102 ARG H H 1 8.263 0.011 . 1 . . 114 . . 102 ARG H . 50146 1
297 . 1 . 1 102 102 ARG N N 15 115.635 0.048 . 1 . . 115 . . 102 ARG N . 50146 1
298 . 1 . 1 103 103 LYS H H 1 7.370 . . 1 . . 67 . . 103 LYS H . 50146 1
299 . 1 . 1 103 103 LYS N N 15 118.731 . . 1 . . 68 . . 103 LYS N . 50146 1
300 . 1 . 1 113 113 ALA H H 1 7.475 0.002 . 1 . . 61 . . 113 ALA H . 50146 1
301 . 1 . 1 113 113 ALA CA C 13 53.674 . . 1 . . 235 . . 113 ALA CA . 50146 1
302 . 1 . 1 113 113 ALA CB C 13 18.695 . . 1 . . 236 . . 113 ALA CB . 50146 1
303 . 1 . 1 113 113 ALA N N 15 117.297 0.036 . 1 . . 62 . . 113 ALA N . 50146 1
304 . 1 . 1 120 120 GLU H H 1 8.526 0.004 . 1 . . 45 . . 120 GLU H . 50146 1
305 . 1 . 1 120 120 GLU CA C 13 56.423 0.007 . 1 . . 224 . . 120 GLU CA . 50146 1
306 . 1 . 1 120 120 GLU CB C 13 30.727 0.033 . 1 . . 225 . . 120 GLU CB . 50146 1
307 . 1 . 1 120 120 GLU N N 15 121.638 0.039 . 1 . . 46 . . 120 GLU N . 50146 1
308 . 1 . 1 121 121 GLU H H 1 8.406 0.005 . 1 . . 81 . . 121 GLU H . 50146 1
309 . 1 . 1 121 121 GLU CA C 13 54.156 . . 1 . . 248 . . 121 GLU CA . 50146 1
310 . 1 . 1 121 121 GLU CB C 13 29.934 . . 1 . . 249 . . 121 GLU CB . 50146 1
311 . 1 . 1 121 121 GLU N N 15 123.806 0.014 . 1 . . 82 . . 121 GLU N . 50146 1
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