data_25234
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25234
_Entry.PDB_ID 2MUW
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 25234
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.220 -0.620 25234
2 1 1 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.103 0.997 25234
3 1 1 . 1 1 31 31 SER CA C 31 63.800 63.800 62.694 1.106 25234
4 1 2 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.289 -0.689 25234
5 1 2 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.117 0.983 25234
6 1 2 . 1 1 31 31 SER CA C 31 63.800 63.800 62.663 1.137 25234
7 1 3 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.661 -1.061 25234
8 1 3 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.819 1.281 25234
9 1 3 . 1 1 31 31 SER CA C 31 63.800 63.800 61.790 2.010 25234
10 1 4 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.475 -0.875 25234
11 1 4 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.182 0.918 25234
12 1 4 . 1 1 31 31 SER CA C 31 63.800 63.800 61.282 2.518 25234
13 1 5 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.301 -0.701 25234
14 1 5 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.932 1.168 25234
15 1 5 . 1 1 31 31 SER CA C 31 63.800 63.800 61.731 2.069 25234
16 1 6 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.253 -0.653 25234
17 1 6 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.835 1.264 25234
18 1 6 . 1 1 31 31 SER CA C 31 63.800 63.800 61.676 2.124 25234
19 1 7 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.992 -1.392 25234
20 1 7 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.143 0.957 25234
21 1 7 . 1 1 31 31 SER CA C 31 63.800 63.800 61.518 2.282 25234
22 1 8 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.830 -0.230 25234
23 1 8 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.102 0.998 25234
24 1 8 . 1 1 31 31 SER CA C 31 63.800 63.800 61.647 2.153 25234
25 1 9 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.484 0.117 25234
26 1 9 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.997 1.103 25234
27 1 9 . 1 1 31 31 SER CA C 31 63.800 63.800 62.376 1.424 25234
28 1 10 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.266 -0.666 25234
29 1 10 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.088 1.012 25234
30 1 10 . 1 1 31 31 SER CA C 31 63.800 63.800 62.023 1.777 25234
31 1 11 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.730 -0.130 25234
32 1 11 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.027 1.073 25234
33 1 11 . 1 1 31 31 SER CA C 31 63.800 63.800 62.306 1.494 25234
34 1 12 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.095 -0.495 25234
35 1 12 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.041 1.059 25234
36 1 12 . 1 1 31 31 SER CA C 31 63.800 63.800 62.123 1.677 25234
37 1 13 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.036 -0.436 25234
38 1 13 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.131 0.969 25234
39 1 13 . 1 1 31 31 SER CA C 31 63.800 63.800 61.679 2.121 25234
40 1 14 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.654 -1.054 25234
41 1 14 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.022 1.078 25234
42 1 14 . 1 1 31 31 SER CA C 31 63.800 63.800 62.560 1.240 25234
43 1 15 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.322 -0.722 25234
44 1 15 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.899 1.201 25234
45 1 15 . 1 1 31 31 SER CA C 31 63.800 63.800 61.843 1.957 25234
46 1 16 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.712 -0.112 25234
47 1 16 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.944 1.156 25234
48 1 16 . 1 1 31 31 SER CA C 31 63.800 63.800 61.902 1.898 25234
49 1 17 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.081 -0.481 25234
50 1 17 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.882 1.218 25234
51 1 17 . 1 1 31 31 SER CA C 31 63.800 63.800 61.315 2.485 25234
52 1 18 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.600 -1.000 25234
53 1 18 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.221 0.879 25234
54 1 18 . 1 1 31 31 SER CA C 31 63.800 63.800 61.199 2.601 25234
55 1 19 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.426 -0.826 25234
56 1 19 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.105 0.995 25234
57 1 19 . 1 1 31 31 SER CA C 31 63.800 63.800 62.618 1.182 25234
58 1 20 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.176 -0.576 25234
59 1 20 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.428 0.672 25234
60 1 20 . 1 1 31 31 SER CA C 31 63.800 63.800 61.173 2.627 25234
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 25234
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25234
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25234
4 1 1 "Average Difference" CA 2 0.897 -0.243 1.221 25234
5 1 1 "Average Difference" CB 1 0.997 -0.997 0.000 25234
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25234
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25234
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25234
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25234
10 1 2 "Average Difference" CA 2 0.940 -0.224 1.292 25234
11 1 2 "Average Difference" CB 1 0.983 -0.983 0.000 25234
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25234
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25234
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25234
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25234
16 1 3 "Average Difference" CA 2 1.607 -0.475 2.171 25234
17 1 3 "Average Difference" CB 1 1.281 -1.281 0.000 25234
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25234
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25234
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25234
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25234
22 1 4 "Average Difference" CA 2 1.885 -0.821 2.399 25234
23 1 4 "Average Difference" CB 1 0.918 -0.918 0.000 25234
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25234
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25234
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25234
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25234
28 1 5 "Average Difference" CA 2 1.545 -0.684 1.959 25234
29 1 5 "Average Difference" CB 1 1.168 -1.168 0.000 25234
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25234
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25234
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25234
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25234
34 1 6 "Average Difference" CA 2 1.571 -0.735 1.963 25234
35 1 6 "Average Difference" CB 1 1.264 -1.264 0.000 25234
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25234
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25234
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25234
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25234
40 1 7 "Average Difference" CA 2 1.890 -0.445 2.598 25234
41 1 7 "Average Difference" CB 1 0.957 -0.957 0.000 25234
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25234
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25234
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25234
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25234
46 1 8 "Average Difference" CA 2 1.531 -0.961 1.685 25234
47 1 8 "Average Difference" CB 1 0.998 -0.998 0.000 25234
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25234
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25234
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25234
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25234
52 1 9 "Average Difference" CA 2 1.010 -0.770 0.924 25234
53 1 9 "Average Difference" CB 1 1.103 -1.103 0.000 25234
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25234
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25234
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25234
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25234
58 1 10 "Average Difference" CA 2 1.342 -0.556 1.728 25234
59 1 10 "Average Difference" CB 1 1.012 -1.012 0.000 25234
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25234
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25234
62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25234
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25234
64 1 11 "Average Difference" CA 2 1.060 -0.682 1.148 25234
65 1 11 "Average Difference" CB 1 1.073 -1.073 0.000 25234
66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 25234
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25234
68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25234
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25234
70 1 12 "Average Difference" CA 2 1.237 -0.591 1.536 25234
71 1 12 "Average Difference" CB 1 1.059 -1.059 0.000 25234
72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 25234
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25234
74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25234
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25234
76 1 13 "Average Difference" CA 2 1.531 -0.843 1.808 25234
77 1 13 "Average Difference" CB 1 0.969 -0.969 0.000 25234
78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 25234
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25234
80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25234
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25234
82 1 14 "Average Difference" CA 2 1.151 -0.093 1.622 25234
83 1 14 "Average Difference" CB 1 1.078 -1.078 0.000 25234
84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 25234
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25234
86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25234
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25234
88 1 15 "Average Difference" CA 2 1.475 -0.618 1.894 25234
89 1 15 "Average Difference" CB 1 1.201 -1.201 0.000 25234
90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 25234
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25234
92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25234
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25234
94 1 16 "Average Difference" CA 2 1.345 -0.893 1.421 25234
95 1 16 "Average Difference" CB 1 1.156 -1.156 0.000 25234
96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 25234
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25234
98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25234
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25234
100 1 17 "Average Difference" CA 2 1.790 -1.002 2.097 25234
101 1 17 "Average Difference" CB 1 1.218 -1.218 0.000 25234
102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 25234
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25234
104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25234
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25234
106 1 18 "Average Difference" CA 2 1.970 -0.801 2.546 25234
107 1 18 "Average Difference" CB 1 0.879 -0.879 0.000 25234
108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 25234
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25234
110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25234
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25234
112 1 19 "Average Difference" CA 2 1.020 -0.178 1.420 25234
113 1 19 "Average Difference" CB 1 0.995 -0.995 0.000 25234
114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 25234
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25234
116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25234
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25234
118 1 20 "Average Difference" CA 2 1.902 -1.025 2.265 25234
119 1 20 "Average Difference" CB 1 0.672 -0.672 0.000 25234
120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 25234
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 25234
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.230 -0.630 25234
2 1 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.051 1.049 25234
3 1 . 1 1 31 31 SER CA C 31 63.800 63.800 61.906 1.894 25234
stop_
save_