data_19555
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19555
_Entry.PDB_ID 2MFM
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 19555
_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 2 2 PHE N N 2 120.588 120.588 122.831 -2.243 19555
2 1 1 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.733 -0.119 19555
3 1 1 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.418 0.530 19555
4 1 1 . 1 1 2 2 PHE CB C 2 39.786 39.786 38.718 1.069 19555
5 1 1 . 1 1 2 2 PHE H H 2 8.649 8.649 8.616 0.033 19555
6 1 1 . 1 1 6 6 ALA N N 6 108.200 108.200 126.417 -18.217 19555
7 1 1 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.175 0.428 19555
8 1 1 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.622 -1.157 19555
9 1 1 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.355 -0.123 19555
10 1 1 . 1 1 6 6 ALA H H 6 8.356 8.356 8.209 0.147 19555
11 1 1 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.617 -0.216 19555
12 1 1 . 1 1 8 8 GLY N N 8 109.816 109.816 110.861 -1.045 19555
13 1 1 . 1 1 8 8 GLY CA C 8 45.143 45.143 44.333 0.810 19555
14 1 1 . 1 1 8 8 GLY H H 8 8.528 8.528 7.752 0.776 19555
15 1 1 . 1 1 9 9 HIS N N 9 117.896 117.896 119.814 -1.918 19555
16 1 1 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.459 0.280 19555
17 1 1 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.289 -0.911 19555
18 1 1 . 1 1 9 9 HIS H H 9 8.330 8.330 8.745 -0.415 19555
19 1 1 . 1 1 13 13 VAL N N 13 119.179 119.179 119.532 -0.353 19555
20 1 1 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.682 0.447 19555
21 1 1 . 1 1 13 13 VAL CA C 13 62.412 62.412 62.075 0.337 19555
22 1 1 . 1 1 13 13 VAL CB C 13 32.685 32.685 29.665 3.020 19555
23 1 1 . 1 1 13 13 VAL H H 13 8.009 8.009 7.951 0.058 19555
24 1 1 . 1 1 14 14 GLY N N 14 119.064 119.064 106.670 12.394 19555
25 1 1 . 1 1 14 14 GLY H H 14 8.504 8.504 8.547 -0.043 19555
26 1 2 . 1 1 2 2 PHE N N 2 120.588 120.588 120.708 -0.120 19555
27 1 2 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.636 -0.022 19555
28 1 2 . 1 1 2 2 PHE CA C 2 57.948 57.948 56.745 1.203 19555
29 1 2 . 1 1 2 2 PHE CB C 2 39.786 39.786 39.687 0.099 19555
30 1 2 . 1 1 2 2 PHE H H 2 8.649 8.649 8.080 0.569 19555
31 1 2 . 1 1 6 6 ALA N N 6 108.200 108.200 124.717 -16.517 19555
32 1 2 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.120 0.483 19555
33 1 2 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.932 -1.467 19555
34 1 2 . 1 1 6 6 ALA CB C 6 18.232 18.232 17.923 0.309 19555
35 1 2 . 1 1 6 6 ALA H H 6 8.356 8.356 8.412 -0.056 19555
36 1 2 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.571 -0.170 19555
37 1 2 . 1 1 8 8 GLY N N 8 109.816 109.816 111.960 -2.144 19555
38 1 2 . 1 1 8 8 GLY CA C 8 45.143 45.143 44.345 0.798 19555
39 1 2 . 1 1 8 8 GLY H H 8 8.528 8.528 8.000 0.528 19555
40 1 2 . 1 1 9 9 HIS N N 9 117.896 117.896 118.544 -0.648 19555
41 1 2 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.445 0.294 19555
42 1 2 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.258 -0.880 19555
43 1 2 . 1 1 9 9 HIS H H 9 8.330 8.330 8.598 -0.268 19555
44 1 2 . 1 1 13 13 VAL N N 13 119.179 119.179 119.478 -0.299 19555
45 1 2 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.728 0.401 19555
46 1 2 . 1 1 13 13 VAL CA C 13 62.412 62.412 63.310 -0.898 19555
47 1 2 . 1 1 13 13 VAL CB C 13 32.685 32.685 29.759 2.926 19555
48 1 2 . 1 1 13 13 VAL H H 13 8.009 8.009 7.843 0.166 19555
49 1 2 . 1 1 14 14 GLY N N 14 119.064 119.064 107.811 11.253 19555
50 1 2 . 1 1 14 14 GLY H H 14 8.504 8.504 8.550 -0.046 19555
51 1 3 . 1 1 2 2 PHE N N 2 120.588 120.588 119.591 0.997 19555
52 1 3 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.240 0.374 19555
53 1 3 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.815 0.133 19555
54 1 3 . 1 1 2 2 PHE CB C 2 39.786 39.786 37.861 1.925 19555
55 1 3 . 1 1 2 2 PHE H H 2 8.649 8.649 8.130 0.519 19555
56 1 3 . 1 1 6 6 ALA N N 6 108.200 108.200 126.587 -18.387 19555
57 1 3 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.158 0.445 19555
58 1 3 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.736 -1.271 19555
59 1 3 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.307 -0.075 19555
60 1 3 . 1 1 6 6 ALA H H 6 8.356 8.356 8.274 0.082 19555
61 1 3 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.575 -0.174 19555
62 1 3 . 1 1 8 8 GLY N N 8 109.816 109.816 111.778 -1.962 19555
63 1 3 . 1 1 8 8 GLY CA C 8 45.143 45.143 44.231 0.912 19555
64 1 3 . 1 1 8 8 GLY H H 8 8.528 8.528 7.858 0.670 19555
65 1 3 . 1 1 9 9 HIS N N 9 117.896 117.896 118.860 -0.964 19555
66 1 3 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.378 0.361 19555
67 1 3 . 1 1 9 9 HIS CB C 9 29.378 29.378 29.902 -0.524 19555
68 1 3 . 1 1 9 9 HIS H H 9 8.330 8.330 8.637 -0.307 19555
69 1 3 . 1 1 13 13 VAL N N 13 119.179 119.179 122.083 -2.904 19555
70 1 3 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.964 0.165 19555
71 1 3 . 1 1 13 13 VAL CA C 13 62.412 62.412 64.036 -1.624 19555
72 1 3 . 1 1 13 13 VAL CB C 13 32.685 32.685 31.787 0.898 19555
73 1 3 . 1 1 13 13 VAL H H 13 8.009 8.009 8.500 -0.491 19555
74 1 3 . 1 1 14 14 GLY N N 14 119.064 119.064 105.061 14.003 19555
75 1 3 . 1 1 14 14 GLY H H 14 8.504 8.504 8.212 0.292 19555
76 1 4 . 1 1 2 2 PHE N N 2 120.588 120.588 119.323 1.265 19555
77 1 4 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.934 -0.320 19555
78 1 4 . 1 1 2 2 PHE CA C 2 57.948 57.948 55.805 2.143 19555
79 1 4 . 1 1 2 2 PHE CB C 2 39.786 39.786 39.337 0.448 19555
80 1 4 . 1 1 2 2 PHE H H 2 8.649 8.649 7.678 0.971 19555
81 1 4 . 1 1 6 6 ALA N N 6 108.200 108.200 124.767 -16.567 19555
82 1 4 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.165 0.438 19555
83 1 4 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.590 -1.125 19555
84 1 4 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.154 0.078 19555
85 1 4 . 1 1 6 6 ALA H H 6 8.356 8.356 8.265 0.091 19555
86 1 4 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.593 -0.192 19555
87 1 4 . 1 1 8 8 GLY N N 8 109.816 109.816 109.676 0.140 19555
88 1 4 . 1 1 8 8 GLY CA C 8 45.143 45.143 44.166 0.977 19555
89 1 4 . 1 1 8 8 GLY H H 8 8.528 8.528 7.762 0.766 19555
90 1 4 . 1 1 9 9 HIS N N 9 117.896 117.896 119.600 -1.704 19555
91 1 4 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.641 0.098 19555
92 1 4 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.164 -0.786 19555
93 1 4 . 1 1 9 9 HIS H H 9 8.330 8.330 8.341 -0.011 19555
94 1 4 . 1 1 13 13 VAL N N 13 119.179 119.179 119.922 -0.743 19555
95 1 4 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.647 0.482 19555
96 1 4 . 1 1 13 13 VAL CA C 13 62.412 62.412 62.819 -0.407 19555
97 1 4 . 1 1 13 13 VAL CB C 13 32.685 32.685 29.446 3.239 19555
98 1 4 . 1 1 13 13 VAL H H 13 8.009 8.009 8.095 -0.086 19555
99 1 4 . 1 1 14 14 GLY N N 14 119.064 119.064 106.854 12.210 19555
100 1 4 . 1 1 14 14 GLY H H 14 8.504 8.504 8.496 0.008 19555
101 1 5 . 1 1 2 2 PHE N N 2 120.588 120.588 121.603 -1.015 19555
102 1 5 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.564 0.050 19555
103 1 5 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.735 0.213 19555
104 1 5 . 1 1 2 2 PHE CB C 2 39.786 39.786 40.001 -0.215 19555
105 1 5 . 1 1 2 2 PHE H H 2 8.649 8.649 8.443 0.206 19555
106 1 5 . 1 1 6 6 ALA N N 6 108.200 108.200 125.555 -17.355 19555
107 1 5 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.147 0.456 19555
108 1 5 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.561 -1.096 19555
109 1 5 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.229 0.003 19555
110 1 5 . 1 1 6 6 ALA H H 6 8.356 8.356 8.334 0.022 19555
111 1 5 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.404 -0.003 19555
112 1 5 . 1 1 8 8 GLY N N 8 109.816 109.816 111.250 -1.434 19555
113 1 5 . 1 1 8 8 GLY CA C 8 45.143 45.143 43.916 1.227 19555
114 1 5 . 1 1 8 8 GLY H H 8 8.528 8.528 7.852 0.676 19555
115 1 5 . 1 1 9 9 HIS N N 9 117.896 117.896 118.256 -0.360 19555
116 1 5 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.419 0.320 19555
117 1 5 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.199 -0.821 19555
118 1 5 . 1 1 9 9 HIS H H 9 8.330 8.330 8.680 -0.349 19555
119 1 5 . 1 1 13 13 VAL N N 13 119.179 119.179 119.572 -0.393 19555
120 1 5 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.870 0.259 19555
121 1 5 . 1 1 13 13 VAL CA C 13 62.412 62.412 63.960 -1.548 19555
122 1 5 . 1 1 13 13 VAL CB C 13 32.685 32.685 32.050 0.635 19555
123 1 5 . 1 1 13 13 VAL H H 13 8.009 8.009 8.160 -0.151 19555
124 1 5 . 1 1 14 14 GLY N N 14 119.064 119.064 106.008 13.056 19555
125 1 5 . 1 1 14 14 GLY H H 14 8.504 8.504 8.291 0.213 19555
126 1 6 . 1 1 2 2 PHE N N 2 120.588 120.588 120.027 0.561 19555
127 1 6 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.740 -0.126 19555
128 1 6 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.061 0.887 19555
129 1 6 . 1 1 2 2 PHE CB C 2 39.786 39.786 40.376 -0.590 19555
130 1 6 . 1 1 2 2 PHE H H 2 8.649 8.649 8.496 0.153 19555
131 1 6 . 1 1 6 6 ALA N N 6 108.200 108.200 126.955 -18.755 19555
132 1 6 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.147 0.456 19555
133 1 6 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.950 -1.484 19555
134 1 6 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.483 -0.251 19555
135 1 6 . 1 1 6 6 ALA H H 6 8.356 8.356 8.345 0.011 19555
136 1 6 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.539 -0.138 19555
137 1 6 . 1 1 8 8 GLY N N 8 109.816 109.816 111.626 -1.810 19555
138 1 6 . 1 1 8 8 GLY CA C 8 45.143 45.143 46.036 -0.893 19555
139 1 6 . 1 1 8 8 GLY H H 8 8.528 8.528 8.775 -0.247 19555
140 1 6 . 1 1 9 9 HIS N N 9 117.896 117.896 121.644 -3.748 19555
141 1 6 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.743 -0.004 19555
142 1 6 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.412 -1.034 19555
143 1 6 . 1 1 9 9 HIS H H 9 8.330 8.330 8.561 -0.231 19555
144 1 6 . 1 1 13 13 VAL N N 13 119.179 119.179 120.255 -1.076 19555
145 1 6 . 1 1 13 13 VAL HA H 13 4.129 4.129 4.130 -0.001 19555
146 1 6 . 1 1 13 13 VAL CA C 13 62.412 62.412 63.300 -0.888 19555
147 1 6 . 1 1 13 13 VAL CB C 13 32.685 32.685 32.597 0.088 19555
148 1 6 . 1 1 13 13 VAL H H 13 8.009 8.009 8.398 -0.389 19555
149 1 6 . 1 1 14 14 GLY N N 14 119.064 119.064 107.367 11.697 19555
150 1 6 . 1 1 14 14 GLY H H 14 8.504 8.504 8.062 0.442 19555
151 1 7 . 1 1 2 2 PHE N N 2 120.588 120.588 118.595 1.993 19555
152 1 7 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.221 0.393 19555
153 1 7 . 1 1 2 2 PHE CA C 2 57.948 57.948 58.028 -0.080 19555
154 1 7 . 1 1 2 2 PHE CB C 2 39.786 39.786 38.390 1.396 19555
155 1 7 . 1 1 2 2 PHE H H 2 8.649 8.649 8.135 0.514 19555
156 1 7 . 1 1 6 6 ALA N N 6 108.200 108.200 126.408 -18.208 19555
157 1 7 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.168 0.435 19555
158 1 7 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.634 -1.169 19555
159 1 7 . 1 1 6 6 ALA CB C 6 18.232 18.232 17.991 0.241 19555
160 1 7 . 1 1 6 6 ALA H H 6 8.356 8.356 8.319 0.037 19555
161 1 7 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.317 0.084 19555
162 1 7 . 1 1 8 8 GLY N N 8 109.816 109.816 111.102 -1.286 19555
163 1 7 . 1 1 8 8 GLY CA C 8 45.143 45.143 45.779 -0.636 19555
164 1 7 . 1 1 8 8 GLY H H 8 8.528 8.528 8.305 0.223 19555
165 1 7 . 1 1 9 9 HIS N N 9 117.896 117.896 120.854 -2.958 19555
166 1 7 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.451 0.288 19555
167 1 7 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.198 -0.820 19555
168 1 7 . 1 1 9 9 HIS H H 9 8.330 8.330 8.429 -0.099 19555
169 1 7 . 1 1 13 13 VAL N N 13 119.179 119.179 119.120 0.059 19555
170 1 7 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.847 0.282 19555
171 1 7 . 1 1 13 13 VAL CA C 13 62.412 62.412 64.176 -1.764 19555
172 1 7 . 1 1 13 13 VAL CB C 13 32.685 32.685 32.258 0.427 19555
173 1 7 . 1 1 13 13 VAL H H 13 8.009 8.009 8.280 -0.271 19555
174 1 7 . 1 1 14 14 GLY N N 14 119.064 119.064 104.162 14.902 19555
175 1 7 . 1 1 14 14 GLY H H 14 8.504 8.504 8.135 0.369 19555
176 1 8 . 1 1 2 2 PHE N N 2 120.588 120.588 119.587 1.001 19555
177 1 8 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.262 0.352 19555
178 1 8 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.955 -0.007 19555
179 1 8 . 1 1 2 2 PHE CB C 2 39.786 39.786 38.090 1.696 19555
180 1 8 . 1 1 2 2 PHE H H 2 8.649 8.649 7.848 0.801 19555
181 1 8 . 1 1 6 6 ALA N N 6 108.200 108.200 126.480 -18.280 19555
182 1 8 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.155 0.448 19555
183 1 8 . 1 1 6 6 ALA CA C 6 50.465 50.465 52.492 -2.027 19555
184 1 8 . 1 1 6 6 ALA CB C 6 18.232 18.232 17.682 0.550 19555
185 1 8 . 1 1 6 6 ALA H H 6 8.356 8.356 8.605 -0.249 19555
186 1 8 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.470 -0.069 19555
187 1 8 . 1 1 8 8 GLY N N 8 109.816 109.816 105.685 4.131 19555
188 1 8 . 1 1 8 8 GLY CA C 8 45.143 45.143 45.187 -0.044 19555
189 1 8 . 1 1 8 8 GLY H H 8 8.528 8.528 8.086 0.442 19555
190 1 8 . 1 1 9 9 HIS N N 9 117.896 117.896 119.390 -1.494 19555
191 1 8 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.142 0.597 19555
192 1 8 . 1 1 9 9 HIS CB C 9 29.378 29.378 29.055 0.323 19555
193 1 8 . 1 1 9 9 HIS H H 9 8.330 8.330 8.455 -0.125 19555
194 1 8 . 1 1 13 13 VAL N N 13 119.179 119.179 121.128 -1.949 19555
195 1 8 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.975 0.154 19555
196 1 8 . 1 1 13 13 VAL CA C 13 62.412 62.412 62.568 -0.156 19555
197 1 8 . 1 1 13 13 VAL CB C 13 32.685 32.685 30.020 2.665 19555
198 1 8 . 1 1 13 13 VAL H H 13 8.009 8.009 7.783 0.226 19555
199 1 8 . 1 1 14 14 GLY N N 14 119.064 119.064 114.622 4.442 19555
200 1 8 . 1 1 14 14 GLY H H 14 8.504 8.504 8.416 0.088 19555
201 1 9 . 1 1 2 2 PHE N N 2 120.588 120.588 121.733 -1.145 19555
202 1 9 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.762 -0.148 19555
203 1 9 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.603 0.345 19555
204 1 9 . 1 1 2 2 PHE CB C 2 39.786 39.786 40.593 -0.807 19555
205 1 9 . 1 1 2 2 PHE H H 2 8.649 8.649 8.617 0.032 19555
206 1 9 . 1 1 6 6 ALA N N 6 108.200 108.200 125.247 -17.047 19555
207 1 9 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.214 0.389 19555
208 1 9 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.432 -0.967 19555
209 1 9 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.404 -0.172 19555
210 1 9 . 1 1 6 6 ALA H H 6 8.356 8.356 8.203 0.153 19555
211 1 9 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.418 -0.017 19555
212 1 9 . 1 1 8 8 GLY N N 8 109.816 109.816 111.415 -1.599 19555
213 1 9 . 1 1 8 8 GLY CA C 8 45.143 45.143 45.810 -0.667 19555
214 1 9 . 1 1 8 8 GLY H H 8 8.528 8.528 8.342 0.186 19555
215 1 9 . 1 1 9 9 HIS N N 9 117.896 117.896 117.289 0.607 19555
216 1 9 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.713 0.025 19555
217 1 9 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.863 -1.485 19555
218 1 9 . 1 1 9 9 HIS H H 9 8.330 8.330 8.194 0.136 19555
219 1 9 . 1 1 13 13 VAL N N 13 119.179 119.179 120.362 -1.183 19555
220 1 9 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.716 0.413 19555
221 1 9 . 1 1 13 13 VAL CA C 13 62.412 62.412 64.249 -1.837 19555
222 1 9 . 1 1 13 13 VAL CB C 13 32.685 32.685 32.146 0.539 19555
223 1 9 . 1 1 13 13 VAL H H 13 8.009 8.009 7.869 0.140 19555
224 1 9 . 1 1 14 14 GLY N N 14 119.064 119.064 105.038 14.026 19555
225 1 9 . 1 1 14 14 GLY H H 14 8.504 8.504 8.429 0.075 19555
226 1 10 . 1 1 2 2 PHE N N 2 120.588 120.588 120.410 0.178 19555
227 1 10 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.785 -0.171 19555
228 1 10 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.674 0.274 19555
229 1 10 . 1 1 2 2 PHE CB C 2 39.786 39.786 39.934 -0.148 19555
230 1 10 . 1 1 2 2 PHE H H 2 8.649 8.649 8.018 0.631 19555
231 1 10 . 1 1 6 6 ALA N N 6 108.200 108.200 127.050 -18.850 19555
232 1 10 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.141 0.462 19555
233 1 10 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.876 -1.411 19555
234 1 10 . 1 1 6 6 ALA CB C 6 18.232 18.232 17.803 0.429 19555
235 1 10 . 1 1 6 6 ALA H H 6 8.356 8.356 8.396 -0.040 19555
236 1 10 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.501 -0.100 19555
237 1 10 . 1 1 8 8 GLY N N 8 109.816 109.816 110.884 -1.068 19555
238 1 10 . 1 1 8 8 GLY CA C 8 45.143 45.143 45.908 -0.765 19555
239 1 10 . 1 1 8 8 GLY H H 8 8.528 8.528 8.902 -0.374 19555
240 1 10 . 1 1 9 9 HIS N N 9 117.896 117.896 119.724 -1.828 19555
241 1 10 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.806 -0.067 19555
242 1 10 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.440 -1.062 19555
243 1 10 . 1 1 9 9 HIS H H 9 8.330 8.330 8.151 0.179 19555
244 1 10 . 1 1 13 13 VAL N N 13 119.179 119.179 119.021 0.158 19555
245 1 10 . 1 1 13 13 VAL HA H 13 4.129 4.129 4.249 -0.120 19555
246 1 10 . 1 1 13 13 VAL CA C 13 62.412 62.412 62.458 -0.046 19555
247 1 10 . 1 1 13 13 VAL CB C 13 32.685 32.685 32.181 0.504 19555
248 1 10 . 1 1 13 13 VAL H H 13 8.009 8.009 8.552 -0.543 19555
249 1 10 . 1 1 14 14 GLY N N 14 119.064 119.064 107.356 11.708 19555
250 1 10 . 1 1 14 14 GLY H H 14 8.504 8.504 8.288 0.216 19555
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 6 9.087 1.897 9.735 19555
2 1 1 "Average Difference" HA 6 0.298 -0.119 0.299 19555
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19555
4 1 1 "Average Difference" CA 4 0.773 -0.130 0.880 19555
5 1 1 "Average Difference" CB 4 1.666 -0.764 1.710 19555
6 1 1 "Average Difference" HN 6 0.366 -0.093 0.388 19555
7 1 2 "Average Difference" N 6 8.211 1.412 8.861 19555
8 1 2 "Average Difference" HA 6 0.294 -0.149 0.278 19555
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19555
10 1 2 "Average Difference" CA 4 1.123 0.091 1.292 19555
11 1 2 "Average Difference" CB 4 1.536 -0.613 1.626 19555
12 1 2 "Average Difference" HN 6 0.343 -0.149 0.339 19555
13 1 3 "Average Difference" N 6 9.560 1.536 10.336 19555
14 1 3 "Average Difference" HA 6 0.296 -0.190 0.249 19555
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19555
16 1 3 "Average Difference" CA 4 1.129 0.463 1.190 19555
17 1 3 "Average Difference" CB 4 1.094 -0.556 1.089 19555
18 1 3 "Average Difference" HN 6 0.437 -0.127 0.458 19555
19 1 4 "Average Difference" N 6 8.452 0.900 9.206 19555
20 1 4 "Average Difference" HA 6 0.309 -0.088 0.325 19555
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19555
22 1 4 "Average Difference" CA 4 1.321 -0.397 1.455 19555
23 1 4 "Average Difference" CB 4 1.682 -0.745 1.741 19555
24 1 4 "Average Difference" HN 6 0.508 -0.290 0.456 19555
25 1 5 "Average Difference" N 6 8.898 1.250 9.650 19555
26 1 5 "Average Difference" HA 6 0.254 -0.166 0.210 19555
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19555
28 1 5 "Average Difference" CA 4 1.134 0.301 1.263 19555
29 1 5 "Average Difference" CB 4 0.530 0.099 0.601 19555
30 1 5 "Average Difference" HN 6 0.339 -0.103 0.354 19555
31 1 6 "Average Difference" N 6 9.196 2.188 9.784 19555
32 1 6 "Average Difference" HA 6 0.202 -0.023 0.220 19555
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19555
34 1 6 "Average Difference" CA 4 1.070 0.595 1.027 19555
35 1 6 "Average Difference" CB 4 0.610 0.447 0.480 19555
36 1 6 "Average Difference" HN 6 0.284 0.044 0.308 19555
37 1 7 "Average Difference" N 6 9.730 0.916 10.611 19555
38 1 7 "Average Difference" HA 6 0.308 -0.287 0.124 19555
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19555
40 1 7 "Average Difference" CA 4 1.106 0.912 0.721 19555
41 1 7 "Average Difference" CB 4 0.846 -0.311 0.908 19555
42 1 7 "Average Difference" HN 6 0.299 -0.129 0.295 19555
43 1 8 "Average Difference" N 6 7.937 2.025 8.407 19555
44 1 8 "Average Difference" HA 6 0.344 -0.253 0.256 19555
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19555
46 1 8 "Average Difference" CA 4 1.017 0.558 0.981 19555
47 1 8 "Average Difference" CB 4 1.611 -1.308 1.086 19555
48 1 8 "Average Difference" HN 6 0.403 -0.197 0.385 19555
49 1 9 "Average Difference" N 6 9.064 1.057 9.862 19555
50 1 9 "Average Difference" HA 6 0.242 -0.097 0.243 19555
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19555
52 1 9 "Average Difference" CA 4 1.104 0.782 0.900 19555
53 1 9 "Average Difference" CB 4 0.891 0.481 0.866 19555
54 1 9 "Average Difference" HN 6 0.131 -0.120 0.056 19555
55 1 10 "Average Difference" N 6 9.101 1.617 9.811 19555
56 1 10 "Average Difference" HA 6 0.213 0.004 0.234 19555
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19555
58 1 10 "Average Difference" CA 4 0.814 0.487 0.754 19555
59 1 10 "Average Difference" CB 4 0.630 0.069 0.723 19555
60 1 10 "Average Difference" HN 6 0.390 -0.011 0.427 19555
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 19555
_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 2 2 PHE N N 2 120.588 120.588 120.441 0.147 19555
2 1 . 1 1 2 2 PHE HA H 2 4.614 4.614 4.588 0.026 19555
3 1 . 1 1 2 2 PHE CA C 2 57.948 57.948 57.384 0.564 19555
4 1 . 1 1 2 2 PHE CB C 2 39.786 39.786 39.299 0.487 19555
5 1 . 1 1 2 2 PHE H H 2 8.649 8.649 8.206 0.443 19555
6 1 . 1 1 6 6 ALA N N 6 108.200 108.200 126.018 -17.818 19555
7 1 . 1 1 6 6 ALA HA H 6 4.603 4.603 4.159 0.444 19555
8 1 . 1 1 6 6 ALA CA C 6 50.465 50.465 51.783 -1.317 19555
9 1 . 1 1 6 6 ALA CB C 6 18.232 18.232 18.133 0.099 19555
10 1 . 1 1 6 6 ALA H H 6 8.356 8.356 8.336 0.020 19555
11 1 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.500 -0.100 19555
12 1 . 1 1 8 8 GLY N N 8 109.816 109.816 110.624 -0.808 19555
13 1 . 1 1 8 8 GLY CA C 8 45.143 45.143 44.971 0.172 19555
14 1 . 1 1 8 8 GLY H H 8 8.528 8.528 8.163 0.365 19555
15 1 . 1 1 9 9 HIS N N 9 117.896 117.896 119.397 -1.502 19555
16 1 . 1 1 9 9 HIS HA H 9 4.739 4.739 4.520 0.219 19555
17 1 . 1 1 9 9 HIS CB C 9 29.378 29.378 30.178 -0.800 19555
18 1 . 1 1 9 9 HIS H H 9 8.330 8.330 8.479 -0.149 19555
19 1 . 1 1 13 13 VAL N N 13 119.179 119.179 120.047 -0.868 19555
20 1 . 1 1 13 13 VAL HA H 13 4.129 4.129 3.881 0.248 19555
21 1 . 1 1 13 13 VAL CA C 13 62.412 62.412 63.295 -0.883 19555
22 1 . 1 1 13 13 VAL CB C 13 32.685 32.685 31.191 1.494 19555
23 1 . 1 1 13 13 VAL H H 13 8.009 8.009 8.143 -0.134 19555
24 1 . 1 1 14 14 GLY N N 14 119.064 119.064 107.095 11.969 19555
25 1 . 1 1 14 14 GLY H H 14 8.504 8.504 8.343 0.161 19555
stop_
save_