data_19679
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19679
_Entry.PDB_ID 2MIH
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 19679
_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 GLN N N 2 124.366 124.366 121.100 3.266 19679
2 1 1 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.378 0.053 19679
3 1 1 . 1 1 2 2 GLN CA C 2 55.707 55.707 56.816 -1.109 19679
4 1 1 . 1 1 2 2 GLN CB C 2 33.652 33.652 30.175 3.477 19679
5 1 1 . 1 1 2 2 GLN H H 2 8.853 8.853 8.605 0.248 19679
6 1 1 . 1 1 3 3 VAL N N 3 124.217 124.217 118.909 5.308 19679
7 1 1 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.588 -0.152 19679
8 1 1 . 1 1 3 3 VAL CA C 3 60.051 60.051 59.460 0.591 19679
9 1 1 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.885 1.638 19679
10 1 1 . 1 1 3 3 VAL H H 3 8.506 8.506 8.000 0.506 19679
11 1 1 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.881 -0.514 19679
12 1 1 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.052 1.540 19679
13 1 1 . 1 1 5 5 SER N N 5 116.653 116.653 113.436 3.217 19679
14 1 1 . 1 1 5 5 SER HA H 5 4.451 4.451 4.684 -0.233 19679
15 1 1 . 1 1 5 5 SER CA C 5 58.328 58.328 58.218 0.110 19679
16 1 1 . 1 1 5 5 SER CB C 5 64.082 64.082 63.646 0.436 19679
17 1 1 . 1 1 5 5 SER H H 5 8.429 8.429 8.853 -0.424 19679
18 1 1 . 1 1 6 6 GLY N N 6 110.693 110.693 110.419 0.274 19679
19 1 1 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.524 -0.929 19679
20 1 1 . 1 1 6 6 GLY H H 6 8.242 8.242 7.625 0.617 19679
21 1 1 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.729 -0.335 19679
22 1 1 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.169 -0.136 19679
23 1 1 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.974 0.168 19679
24 1 1 . 1 1 8 8 ASN N N 8 119.743 119.743 116.256 3.487 19679
25 1 1 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.679 -0.021 19679
26 1 1 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.626 2.593 19679
27 1 1 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.894 -0.002 19679
28 1 1 . 1 1 8 8 ASN H H 8 8.332 8.332 7.670 0.662 19679
29 1 1 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.540 0.035 19679
30 1 1 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.218 -0.841 19679
31 1 1 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.866 0.179 19679
32 1 1 . 1 1 10 10 LEU N N 10 120.411 120.411 121.463 -1.052 19679
33 1 1 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.406 -0.187 19679
34 1 1 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.767 0.517 19679
35 1 1 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.783 1.263 19679
36 1 1 . 1 1 10 10 LEU H H 10 8.160 8.160 8.431 -0.271 19679
37 1 1 . 1 1 11 11 HIS N N 11 118.056 118.056 116.768 1.288 19679
38 1 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.578 0.100 19679
39 1 1 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.055 -1.087 19679
40 1 1 . 1 1 11 11 HIS H H 11 8.288 8.288 7.547 0.741 19679
41 1 1 . 1 1 13 13 LYS N N 13 105.346 105.346 115.482 -10.136 19679
42 1 1 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.731 0.533 19679
43 1 1 . 1 1 13 13 LYS CA C 13 56.223 56.223 58.715 -2.492 19679
44 1 1 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.886 0.582 19679
45 1 1 . 1 1 13 13 LYS H H 13 8.305 8.305 8.424 -0.119 19679
46 1 2 . 1 1 2 2 GLN N N 2 124.366 124.366 120.206 4.160 19679
47 1 2 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.310 0.121 19679
48 1 2 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.416 -1.709 19679
49 1 2 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.748 3.904 19679
50 1 2 . 1 1 2 2 GLN H H 2 8.853 8.853 8.685 0.168 19679
51 1 2 . 1 1 3 3 VAL N N 3 124.217 124.217 118.851 5.366 19679
52 1 2 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.428 0.008 19679
53 1 2 . 1 1 3 3 VAL CA C 3 60.051 60.051 60.596 -0.545 19679
54 1 2 . 1 1 3 3 VAL CB C 3 32.523 32.523 32.079 0.444 19679
55 1 2 . 1 1 3 3 VAL H H 3 8.506 8.506 8.046 0.460 19679
56 1 2 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.786 -0.419 19679
57 1 2 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.922 1.670 19679
58 1 2 . 1 1 5 5 SER N N 5 116.653 116.653 113.839 2.814 19679
59 1 2 . 1 1 5 5 SER HA H 5 4.451 4.451 4.702 -0.251 19679
60 1 2 . 1 1 5 5 SER CA C 5 58.328 58.328 58.102 0.226 19679
61 1 2 . 1 1 5 5 SER CB C 5 64.082 64.082 63.795 0.287 19679
62 1 2 . 1 1 5 5 SER H H 5 8.429 8.429 8.427 0.002 19679
63 1 2 . 1 1 6 6 GLY N N 6 110.693 110.693 109.424 1.269 19679
64 1 2 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.355 -0.760 19679
65 1 2 . 1 1 6 6 GLY H H 6 8.242 8.242 7.615 0.627 19679
66 1 2 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.341 0.053 19679
67 1 2 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.408 0.625 19679
68 1 2 . 1 1 7 7 PRO CB C 7 32.142 32.142 32.255 -0.113 19679
69 1 2 . 1 1 8 8 ASN N N 8 119.743 119.743 115.704 4.039 19679
70 1 2 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.670 -0.011 19679
71 1 2 . 1 1 8 8 ASN CA C 8 53.219 53.219 52.473 0.746 19679
72 1 2 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.403 0.489 19679
73 1 2 . 1 1 8 8 ASN H H 8 8.332 8.332 8.193 0.139 19679
74 1 2 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.354 0.221 19679
75 1 2 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.483 -1.105 19679
76 1 2 . 1 1 9 9 PRO CB C 9 32.045 32.045 29.876 2.169 19679
77 1 2 . 1 1 10 10 LEU N N 10 120.411 120.411 122.547 -2.136 19679
78 1 2 . 1 1 10 10 LEU HA H 10 4.219 4.219 3.929 0.290 19679
79 1 2 . 1 1 10 10 LEU CA C 10 55.284 55.284 56.255 -0.971 19679
80 1 2 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.601 1.445 19679
81 1 2 . 1 1 10 10 LEU H H 10 8.160 8.160 8.835 -0.675 19679
82 1 2 . 1 1 11 11 HIS N N 11 118.056 118.056 114.985 3.071 19679
83 1 2 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.299 0.379 19679
84 1 2 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.096 -2.128 19679
85 1 2 . 1 1 11 11 HIS H H 11 8.288 8.288 8.633 -0.345 19679
86 1 2 . 1 1 13 13 LYS N N 13 105.346 105.346 118.631 -13.285 19679
87 1 2 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.519 -0.255 19679
88 1 2 . 1 1 13 13 LYS CA C 13 56.223 56.223 55.738 0.485 19679
89 1 2 . 1 1 13 13 LYS CB C 13 32.468 32.468 36.535 -4.067 19679
90 1 2 . 1 1 13 13 LYS H H 13 8.305 8.305 7.580 0.725 19679
91 1 3 . 1 1 2 2 GLN N N 2 124.366 124.366 122.825 1.541 19679
92 1 3 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.235 0.196 19679
93 1 3 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.632 -1.925 19679
94 1 3 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.549 4.103 19679
95 1 3 . 1 1 2 2 GLN H H 2 8.853 8.853 8.588 0.265 19679
96 1 3 . 1 1 3 3 VAL N N 3 124.217 124.217 118.445 5.772 19679
97 1 3 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.528 -0.092 19679
98 1 3 . 1 1 3 3 VAL CA C 3 60.051 60.051 60.103 -0.052 19679
99 1 3 . 1 1 3 3 VAL CB C 3 32.523 32.523 32.174 0.349 19679
100 1 3 . 1 1 3 3 VAL H H 3 8.506 8.506 7.868 0.638 19679
101 1 3 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.774 -0.407 19679
102 1 3 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.766 1.826 19679
103 1 3 . 1 1 5 5 SER N N 5 116.653 116.653 114.938 1.715 19679
104 1 3 . 1 1 5 5 SER HA H 5 4.451 4.451 4.694 -0.243 19679
105 1 3 . 1 1 5 5 SER CA C 5 58.328 58.328 57.873 0.455 19679
106 1 3 . 1 1 5 5 SER CB C 5 64.082 64.082 62.820 1.262 19679
107 1 3 . 1 1 5 5 SER H H 5 8.429 8.429 8.636 -0.207 19679
108 1 3 . 1 1 6 6 GLY N N 6 110.693 110.693 110.254 0.439 19679
109 1 3 . 1 1 6 6 GLY CA C 6 44.595 44.595 44.892 -0.297 19679
110 1 3 . 1 1 6 6 GLY H H 6 8.242 8.242 7.720 0.522 19679
111 1 3 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.450 -0.056 19679
112 1 3 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.130 -0.097 19679
113 1 3 . 1 1 7 7 PRO CB C 7 32.142 32.142 32.136 0.006 19679
114 1 3 . 1 1 8 8 ASN N N 8 119.743 119.743 119.494 0.249 19679
115 1 3 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.515 0.144 19679
116 1 3 . 1 1 8 8 ASN CA C 8 53.219 53.219 53.373 -0.154 19679
117 1 3 . 1 1 8 8 ASN CB C 8 38.892 38.892 39.363 -0.471 19679
118 1 3 . 1 1 8 8 ASN H H 8 8.332 8.332 8.626 -0.294 19679
119 1 3 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.527 0.048 19679
120 1 3 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.069 -0.692 19679
121 1 3 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.470 0.575 19679
122 1 3 . 1 1 10 10 LEU N N 10 120.411 120.411 124.020 -3.609 19679
123 1 3 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.094 0.125 19679
124 1 3 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.803 0.481 19679
125 1 3 . 1 1 10 10 LEU CB C 10 42.046 42.046 42.412 -0.366 19679
126 1 3 . 1 1 10 10 LEU H H 10 8.160 8.160 8.043 0.117 19679
127 1 3 . 1 1 11 11 HIS N N 11 118.056 118.056 119.460 -1.404 19679
128 1 3 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.287 0.391 19679
129 1 3 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.768 -2.800 19679
130 1 3 . 1 1 11 11 HIS H H 11 8.288 8.288 8.477 -0.189 19679
131 1 3 . 1 1 13 13 LYS N N 13 105.346 105.346 117.599 -12.253 19679
132 1 3 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.477 -0.213 19679
133 1 3 . 1 1 13 13 LYS CA C 13 56.223 56.223 56.261 -0.038 19679
134 1 3 . 1 1 13 13 LYS CB C 13 32.468 32.468 34.037 -1.569 19679
135 1 3 . 1 1 13 13 LYS H H 13 8.305 8.305 7.965 0.340 19679
136 1 4 . 1 1 2 2 GLN N N 2 124.366 124.366 123.372 0.994 19679
137 1 4 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.237 0.194 19679
138 1 4 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.987 -2.280 19679
139 1 4 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.465 4.187 19679
140 1 4 . 1 1 2 2 GLN H H 2 8.853 8.853 8.421 0.432 19679
141 1 4 . 1 1 3 3 VAL N N 3 124.217 124.217 113.116 11.101 19679
142 1 4 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.595 -0.159 19679
143 1 4 . 1 1 3 3 VAL CA C 3 60.051 60.051 59.025 1.026 19679
144 1 4 . 1 1 3 3 VAL CB C 3 32.523 32.523 31.341 1.182 19679
145 1 4 . 1 1 3 3 VAL H H 3 8.506 8.506 8.160 0.346 19679
146 1 4 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.824 -0.457 19679
147 1 4 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.165 1.427 19679
148 1 4 . 1 1 5 5 SER N N 5 116.653 116.653 114.315 2.338 19679
149 1 4 . 1 1 5 5 SER HA H 5 4.451 4.451 4.616 -0.165 19679
150 1 4 . 1 1 5 5 SER CA C 5 58.328 58.328 58.296 0.032 19679
151 1 4 . 1 1 5 5 SER CB C 5 64.082 64.082 63.174 0.908 19679
152 1 4 . 1 1 5 5 SER H H 5 8.429 8.429 8.704 -0.275 19679
153 1 4 . 1 1 6 6 GLY N N 6 110.693 110.693 109.910 0.783 19679
154 1 4 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.807 -1.212 19679
155 1 4 . 1 1 6 6 GLY H H 6 8.242 8.242 7.716 0.526 19679
156 1 4 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.658 -0.264 19679
157 1 4 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.011 0.022 19679
158 1 4 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.828 0.314 19679
159 1 4 . 1 1 8 8 ASN N N 8 119.743 119.743 116.175 3.568 19679
160 1 4 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.645 0.014 19679
161 1 4 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.703 2.516 19679
162 1 4 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.450 0.442 19679
163 1 4 . 1 1 8 8 ASN H H 8 8.332 8.332 7.619 0.713 19679
164 1 4 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.446 0.129 19679
165 1 4 . 1 1 9 9 PRO CA C 9 62.377 62.377 62.826 -0.449 19679
166 1 4 . 1 1 9 9 PRO CB C 9 32.045 32.045 32.088 -0.043 19679
167 1 4 . 1 1 10 10 LEU N N 10 120.411 120.411 126.846 -6.435 19679
168 1 4 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.361 -0.142 19679
169 1 4 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.294 0.990 19679
170 1 4 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.433 0.613 19679
171 1 4 . 1 1 10 10 LEU H H 10 8.160 8.160 8.136 0.024 19679
172 1 4 . 1 1 11 11 HIS N N 11 118.056 118.056 117.391 0.665 19679
173 1 4 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.644 0.034 19679
174 1 4 . 1 1 11 11 HIS CA C 11 54.968 54.968 54.919 0.049 19679
175 1 4 . 1 1 11 11 HIS H H 11 8.288 8.288 7.835 0.453 19679
176 1 4 . 1 1 13 13 LYS N N 13 105.346 105.346 120.175 -14.829 19679
177 1 4 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.359 -0.095 19679
178 1 4 . 1 1 13 13 LYS CA C 13 56.223 56.223 55.524 0.699 19679
179 1 4 . 1 1 13 13 LYS CB C 13 32.468 32.468 30.835 1.633 19679
180 1 4 . 1 1 13 13 LYS H H 13 8.305 8.305 8.148 0.157 19679
181 1 5 . 1 1 2 2 GLN N N 2 124.366 124.366 120.568 3.798 19679
182 1 5 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.311 0.120 19679
183 1 5 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.519 -1.812 19679
184 1 5 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.913 3.739 19679
185 1 5 . 1 1 2 2 GLN H H 2 8.853 8.853 8.778 0.075 19679
186 1 5 . 1 1 3 3 VAL N N 3 124.217 124.217 113.181 11.036 19679
187 1 5 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.606 -0.170 19679
188 1 5 . 1 1 3 3 VAL CA C 3 60.051 60.051 58.556 1.496 19679
189 1 5 . 1 1 3 3 VAL CB C 3 32.523 32.523 31.112 1.411 19679
190 1 5 . 1 1 3 3 VAL H H 3 8.506 8.506 7.989 0.517 19679
191 1 5 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.943 -0.576 19679
192 1 5 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.074 1.518 19679
193 1 5 . 1 1 5 5 SER N N 5 116.653 116.653 113.797 2.856 19679
194 1 5 . 1 1 5 5 SER HA H 5 4.451 4.451 4.585 -0.134 19679
195 1 5 . 1 1 5 5 SER CA C 5 58.328 58.328 57.376 0.952 19679
196 1 5 . 1 1 5 5 SER CB C 5 64.082 64.082 63.593 0.489 19679
197 1 5 . 1 1 5 5 SER H H 5 8.429 8.429 8.639 -0.210 19679
198 1 5 . 1 1 6 6 GLY N N 6 110.693 110.693 110.732 -0.039 19679
199 1 5 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.751 -1.156 19679
200 1 5 . 1 1 6 6 GLY H H 6 8.242 8.242 7.569 0.673 19679
201 1 5 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.353 0.041 19679
202 1 5 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.314 0.719 19679
203 1 5 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.524 1.618 19679
204 1 5 . 1 1 8 8 ASN N N 8 119.743 119.743 114.850 4.893 19679
205 1 5 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.739 -0.080 19679
206 1 5 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.724 2.495 19679
207 1 5 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.109 0.783 19679
208 1 5 . 1 1 8 8 ASN H H 8 8.332 8.332 7.432 0.900 19679
209 1 5 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.548 0.027 19679
210 1 5 . 1 1 9 9 PRO CA C 9 62.377 62.377 62.788 -0.411 19679
211 1 5 . 1 1 9 9 PRO CB C 9 32.045 32.045 32.098 -0.053 19679
212 1 5 . 1 1 10 10 LEU N N 10 120.411 120.411 126.264 -5.853 19679
213 1 5 . 1 1 10 10 LEU HA H 10 4.219 4.219 3.971 0.248 19679
214 1 5 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.764 -0.480 19679
215 1 5 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.914 1.132 19679
216 1 5 . 1 1 10 10 LEU H H 10 8.160 8.160 7.759 0.401 19679
217 1 5 . 1 1 11 11 HIS N N 11 118.056 118.056 119.493 -1.437 19679
218 1 5 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.356 0.322 19679
219 1 5 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.541 -2.573 19679
220 1 5 . 1 1 11 11 HIS H H 11 8.288 8.288 8.502 -0.214 19679
221 1 5 . 1 1 13 13 LYS N N 13 105.346 105.346 117.629 -12.283 19679
222 1 5 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.827 0.437 19679
223 1 5 . 1 1 13 13 LYS CA C 13 56.223 56.223 58.752 -2.529 19679
224 1 5 . 1 1 13 13 LYS CB C 13 32.468 32.468 30.927 1.541 19679
225 1 5 . 1 1 13 13 LYS H H 13 8.305 8.305 8.345 -0.040 19679
226 1 6 . 1 1 2 2 GLN N N 2 124.366 124.366 122.359 2.007 19679
227 1 6 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.493 -0.062 19679
228 1 6 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.097 0.610 19679
229 1 6 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.451 4.201 19679
230 1 6 . 1 1 2 2 GLN H H 2 8.853 8.853 8.372 0.481 19679
231 1 6 . 1 1 3 3 VAL N N 3 124.217 124.217 120.847 3.370 19679
232 1 6 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.774 0.662 19679
233 1 6 . 1 1 3 3 VAL CA C 3 60.051 60.051 62.005 -1.954 19679
234 1 6 . 1 1 3 3 VAL CB C 3 32.523 32.523 29.962 2.561 19679
235 1 6 . 1 1 3 3 VAL H H 3 8.506 8.506 8.950 -0.444 19679
236 1 6 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.911 -0.544 19679
237 1 6 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.861 0.731 19679
238 1 6 . 1 1 5 5 SER N N 5 116.653 116.653 115.367 1.286 19679
239 1 6 . 1 1 5 5 SER HA H 5 4.451 4.451 4.719 -0.268 19679
240 1 6 . 1 1 5 5 SER CA C 5 58.328 58.328 58.321 0.007 19679
241 1 6 . 1 1 5 5 SER CB C 5 64.082 64.082 63.682 0.400 19679
242 1 6 . 1 1 5 5 SER H H 5 8.429 8.429 8.634 -0.205 19679
243 1 6 . 1 1 6 6 GLY N N 6 110.693 110.693 110.262 0.431 19679
244 1 6 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.886 -1.291 19679
245 1 6 . 1 1 6 6 GLY H H 6 8.242 8.242 7.560 0.682 19679
246 1 6 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.609 -0.214 19679
247 1 6 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.445 0.588 19679
248 1 6 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.285 1.857 19679
249 1 6 . 1 1 8 8 ASN N N 8 119.743 119.743 118.244 1.499 19679
250 1 6 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.372 0.287 19679
251 1 6 . 1 1 8 8 ASN CA C 8 53.219 53.219 52.363 0.856 19679
252 1 6 . 1 1 8 8 ASN CB C 8 38.892 38.892 40.891 -1.999 19679
253 1 6 . 1 1 8 8 ASN H H 8 8.332 8.332 7.851 0.481 19679
254 1 6 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.544 0.031 19679
255 1 6 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.644 -1.267 19679
256 1 6 . 1 1 9 9 PRO CB C 9 32.045 32.045 30.045 2.000 19679
257 1 6 . 1 1 10 10 LEU N N 10 120.411 120.411 122.126 -1.715 19679
258 1 6 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.416 -0.197 19679
259 1 6 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.464 0.820 19679
260 1 6 . 1 1 10 10 LEU CB C 10 42.046 42.046 39.927 2.119 19679
261 1 6 . 1 1 10 10 LEU H H 10 8.160 8.160 8.420 -0.260 19679
262 1 6 . 1 1 11 11 HIS N N 11 118.056 118.056 118.568 -0.512 19679
263 1 6 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.560 0.118 19679
264 1 6 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.395 -2.427 19679
265 1 6 . 1 1 11 11 HIS H H 11 8.288 8.288 7.674 0.614 19679
266 1 6 . 1 1 13 13 LYS N N 13 105.346 105.346 116.146 -10.800 19679
267 1 6 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.908 0.356 19679
268 1 6 . 1 1 13 13 LYS CA C 13 56.223 56.223 56.547 -0.324 19679
269 1 6 . 1 1 13 13 LYS CB C 13 32.468 32.468 30.561 1.907 19679
270 1 6 . 1 1 13 13 LYS H H 13 8.305 8.305 8.052 0.253 19679
271 1 7 . 1 1 2 2 GLN N N 2 124.366 124.366 123.258 1.108 19679
272 1 7 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.439 -0.008 19679
273 1 7 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.042 0.665 19679
274 1 7 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.172 4.480 19679
275 1 7 . 1 1 2 2 GLN H H 2 8.853 8.853 8.505 0.348 19679
276 1 7 . 1 1 3 3 VAL N N 3 124.217 124.217 120.629 3.588 19679
277 1 7 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.796 0.640 19679
278 1 7 . 1 1 3 3 VAL CA C 3 60.051 60.051 62.593 -2.542 19679
279 1 7 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.304 2.219 19679
280 1 7 . 1 1 3 3 VAL H H 3 8.506 8.506 8.789 -0.283 19679
281 1 7 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.979 -0.612 19679
282 1 7 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.887 1.705 19679
283 1 7 . 1 1 5 5 SER N N 5 116.653 116.653 116.100 0.553 19679
284 1 7 . 1 1 5 5 SER HA H 5 4.451 4.451 4.721 -0.270 19679
285 1 7 . 1 1 5 5 SER CA C 5 58.328 58.328 57.863 0.465 19679
286 1 7 . 1 1 5 5 SER CB C 5 64.082 64.082 63.524 0.558 19679
287 1 7 . 1 1 5 5 SER H H 5 8.429 8.429 8.883 -0.454 19679
288 1 7 . 1 1 6 6 GLY N N 6 110.693 110.693 110.620 0.073 19679
289 1 7 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.880 -1.285 19679
290 1 7 . 1 1 6 6 GLY H H 6 8.242 8.242 7.695 0.547 19679
291 1 7 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.495 -0.101 19679
292 1 7 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.489 0.544 19679
293 1 7 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.623 1.519 19679
294 1 7 . 1 1 8 8 ASN N N 8 119.743 119.743 118.554 1.189 19679
295 1 7 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.818 -0.159 19679
296 1 7 . 1 1 8 8 ASN CA C 8 53.219 53.219 51.827 1.392 19679
297 1 7 . 1 1 8 8 ASN CB C 8 38.892 38.892 41.003 -2.111 19679
298 1 7 . 1 1 8 8 ASN H H 8 8.332 8.332 7.774 0.558 19679
299 1 7 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.506 0.069 19679
300 1 7 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.029 -0.652 19679
301 1 7 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.847 0.198 19679
302 1 7 . 1 1 10 10 LEU N N 10 120.411 120.411 127.784 -7.373 19679
303 1 7 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.314 -0.095 19679
304 1 7 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.962 0.322 19679
305 1 7 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.564 0.482 19679
306 1 7 . 1 1 10 10 LEU H H 10 8.160 8.160 7.974 0.186 19679
307 1 7 . 1 1 11 11 HIS N N 11 118.056 118.056 123.131 -5.075 19679
308 1 7 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.127 0.551 19679
309 1 7 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.505 -2.537 19679
310 1 7 . 1 1 11 11 HIS H H 11 8.288 8.288 8.285 0.003 19679
311 1 7 . 1 1 13 13 LYS N N 13 105.346 105.346 117.092 -11.746 19679
312 1 7 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.907 0.357 19679
313 1 7 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.124 -0.901 19679
314 1 7 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.330 1.138 19679
315 1 7 . 1 1 13 13 LYS H H 13 8.305 8.305 8.110 0.195 19679
316 1 8 . 1 1 2 2 GLN N N 2 124.366 124.366 123.668 0.698 19679
317 1 8 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.242 0.189 19679
318 1 8 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.863 -2.156 19679
319 1 8 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.635 4.017 19679
320 1 8 . 1 1 2 2 GLN H H 2 8.853 8.853 8.749 0.104 19679
321 1 8 . 1 1 3 3 VAL N N 3 124.217 124.217 112.544 11.673 19679
322 1 8 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.551 -0.115 19679
323 1 8 . 1 1 3 3 VAL CA C 3 60.051 60.051 59.246 0.805 19679
324 1 8 . 1 1 3 3 VAL CB C 3 32.523 32.523 31.829 0.694 19679
325 1 8 . 1 1 3 3 VAL H H 3 8.506 8.506 8.278 0.228 19679
326 1 8 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.791 -0.424 19679
327 1 8 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.249 1.343 19679
328 1 8 . 1 1 5 5 SER N N 5 116.653 116.653 115.602 1.051 19679
329 1 8 . 1 1 5 5 SER HA H 5 4.451 4.451 4.627 -0.176 19679
330 1 8 . 1 1 5 5 SER CA C 5 58.328 58.328 57.382 0.946 19679
331 1 8 . 1 1 5 5 SER CB C 5 64.082 64.082 63.659 0.423 19679
332 1 8 . 1 1 5 5 SER H H 5 8.429 8.429 8.809 -0.380 19679
333 1 8 . 1 1 6 6 GLY N N 6 110.693 110.693 110.139 0.554 19679
334 1 8 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.477 -0.882 19679
335 1 8 . 1 1 6 6 GLY H H 6 8.242 8.242 7.635 0.607 19679
336 1 8 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.539 -0.145 19679
337 1 8 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.694 0.339 19679
338 1 8 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.434 1.708 19679
339 1 8 . 1 1 8 8 ASN N N 8 119.743 119.743 118.416 1.327 19679
340 1 8 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.453 0.206 19679
341 1 8 . 1 1 8 8 ASN CA C 8 53.219 53.219 51.925 1.294 19679
342 1 8 . 1 1 8 8 ASN CB C 8 38.892 38.892 40.283 -1.391 19679
343 1 8 . 1 1 8 8 ASN H H 8 8.332 8.332 7.637 0.695 19679
344 1 8 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.257 0.318 19679
345 1 8 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.109 -0.732 19679
346 1 8 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.974 0.071 19679
347 1 8 . 1 1 10 10 LEU N N 10 120.411 120.411 126.936 -6.525 19679
348 1 8 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.073 0.146 19679
349 1 8 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.745 0.539 19679
350 1 8 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.770 0.276 19679
351 1 8 . 1 1 10 10 LEU H H 10 8.160 8.160 8.152 0.008 19679
352 1 8 . 1 1 11 11 HIS N N 11 118.056 118.056 122.568 -4.512 19679
353 1 8 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.227 0.451 19679
354 1 8 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.776 -1.808 19679
355 1 8 . 1 1 11 11 HIS H H 11 8.288 8.288 8.114 0.174 19679
356 1 8 . 1 1 13 13 LYS N N 13 105.346 105.346 113.958 -8.612 19679
357 1 8 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.860 0.404 19679
358 1 8 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.733 -1.510 19679
359 1 8 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.314 1.155 19679
360 1 8 . 1 1 13 13 LYS H H 13 8.305 8.305 8.324 -0.019 19679
361 1 9 . 1 1 2 2 GLN N N 2 124.366 124.366 123.333 1.033 19679
362 1 9 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.413 0.018 19679
363 1 9 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.396 0.311 19679
364 1 9 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.236 4.416 19679
365 1 9 . 1 1 2 2 GLN H H 2 8.853 8.853 8.667 0.186 19679
366 1 9 . 1 1 3 3 VAL N N 3 124.217 124.217 120.986 3.231 19679
367 1 9 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.772 0.664 19679
368 1 9 . 1 1 3 3 VAL CA C 3 60.051 60.051 61.931 -1.880 19679
369 1 9 . 1 1 3 3 VAL CB C 3 32.523 32.523 29.736 2.787 19679
370 1 9 . 1 1 3 3 VAL H H 3 8.506 8.506 8.757 -0.251 19679
371 1 9 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.689 -0.322 19679
372 1 9 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.708 1.884 19679
373 1 9 . 1 1 5 5 SER N N 5 116.653 116.653 114.892 1.761 19679
374 1 9 . 1 1 5 5 SER HA H 5 4.451 4.451 4.603 -0.152 19679
375 1 9 . 1 1 5 5 SER CA C 5 58.328 58.328 57.975 0.353 19679
376 1 9 . 1 1 5 5 SER CB C 5 64.082 64.082 63.070 1.012 19679
377 1 9 . 1 1 5 5 SER H H 5 8.429 8.429 8.732 -0.303 19679
378 1 9 . 1 1 6 6 GLY N N 6 110.693 110.693 110.467 0.226 19679
379 1 9 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.032 -0.437 19679
380 1 9 . 1 1 6 6 GLY H H 6 8.242 8.242 7.631 0.611 19679
381 1 9 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.306 0.088 19679
382 1 9 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.163 -0.130 19679
383 1 9 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.283 0.859 19679
384 1 9 . 1 1 8 8 ASN N N 8 119.743 119.743 120.985 -1.242 19679
385 1 9 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.092 0.567 19679
386 1 9 . 1 1 8 8 ASN CA C 8 53.219 53.219 52.588 0.631 19679
387 1 9 . 1 1 8 8 ASN CB C 8 38.892 38.892 39.395 -0.503 19679
388 1 9 . 1 1 8 8 ASN H H 8 8.332 8.332 8.416 -0.084 19679
389 1 9 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.241 0.334 19679
390 1 9 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.110 -0.733 19679
391 1 9 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.861 0.184 19679
392 1 9 . 1 1 10 10 LEU N N 10 120.411 120.411 123.899 -3.488 19679
393 1 9 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.157 0.062 19679
394 1 9 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.544 -0.260 19679
395 1 9 . 1 1 10 10 LEU CB C 10 42.046 42.046 42.942 -0.896 19679
396 1 9 . 1 1 10 10 LEU H H 10 8.160 8.160 8.148 0.012 19679
397 1 9 . 1 1 11 11 HIS N N 11 118.056 118.056 111.901 6.155 19679
398 1 9 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.611 0.067 19679
399 1 9 . 1 1 11 11 HIS CA C 11 54.968 54.968 54.758 0.210 19679
400 1 9 . 1 1 11 11 HIS H H 11 8.288 8.288 7.040 1.248 19679
401 1 9 . 1 1 13 13 LYS N N 13 105.346 105.346 114.416 -9.070 19679
402 1 9 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.933 0.331 19679
403 1 9 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.618 -1.395 19679
404 1 9 . 1 1 13 13 LYS CB C 13 32.468 32.468 32.578 -0.110 19679
405 1 9 . 1 1 13 13 LYS H H 13 8.305 8.305 8.287 0.018 19679
406 1 10 . 1 1 2 2 GLN N N 2 124.366 124.366 124.846 -0.480 19679
407 1 10 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.341 0.090 19679
408 1 10 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.744 -0.037 19679
409 1 10 . 1 1 2 2 GLN CB C 2 33.652 33.652 28.957 4.695 19679
410 1 10 . 1 1 2 2 GLN H H 2 8.853 8.853 8.500 0.353 19679
411 1 10 . 1 1 3 3 VAL N N 3 124.217 124.217 121.459 2.758 19679
412 1 10 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.893 0.543 19679
413 1 10 . 1 1 3 3 VAL CA C 3 60.051 60.051 62.650 -2.599 19679
414 1 10 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.397 2.126 19679
415 1 10 . 1 1 3 3 VAL H H 3 8.506 8.506 8.675 -0.169 19679
416 1 10 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.649 -0.282 19679
417 1 10 . 1 1 4 4 PRO CA C 4 63.592 63.592 63.147 0.445 19679
418 1 10 . 1 1 5 5 SER N N 5 116.653 116.653 114.279 2.374 19679
419 1 10 . 1 1 5 5 SER HA H 5 4.451 4.451 4.256 0.195 19679
420 1 10 . 1 1 5 5 SER CA C 5 58.328 58.328 59.027 -0.699 19679
421 1 10 . 1 1 5 5 SER CB C 5 64.082 64.082 61.993 2.089 19679
422 1 10 . 1 1 5 5 SER H H 5 8.429 8.429 8.630 -0.201 19679
423 1 10 . 1 1 6 6 GLY N N 6 110.693 110.693 107.958 2.735 19679
424 1 10 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.222 -0.627 19679
425 1 10 . 1 1 6 6 GLY H H 6 8.242 8.242 7.784 0.458 19679
426 1 10 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.725 -0.331 19679
427 1 10 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.958 0.075 19679
428 1 10 . 1 1 7 7 PRO CB C 7 32.142 32.142 32.018 0.124 19679
429 1 10 . 1 1 8 8 ASN N N 8 119.743 119.743 115.837 3.906 19679
430 1 10 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.286 0.373 19679
431 1 10 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.788 2.431 19679
432 1 10 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.751 0.141 19679
433 1 10 . 1 1 8 8 ASN H H 8 8.332 8.332 7.592 0.740 19679
434 1 10 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.284 0.291 19679
435 1 10 . 1 1 9 9 PRO CA C 9 62.377 62.377 62.777 -0.400 19679
436 1 10 . 1 1 9 9 PRO CB C 9 32.045 32.045 32.059 -0.014 19679
437 1 10 . 1 1 10 10 LEU N N 10 120.411 120.411 126.075 -5.664 19679
438 1 10 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.098 0.121 19679
439 1 10 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.073 0.211 19679
440 1 10 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.636 1.410 19679
441 1 10 . 1 1 10 10 LEU H H 10 8.160 8.160 8.282 -0.122 19679
442 1 10 . 1 1 11 11 HIS N N 11 118.056 118.056 122.321 -4.265 19679
443 1 10 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.231 0.447 19679
444 1 10 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.380 -1.412 19679
445 1 10 . 1 1 11 11 HIS H H 11 8.288 8.288 8.530 -0.242 19679
446 1 10 . 1 1 13 13 LYS N N 13 105.346 105.346 114.667 -9.321 19679
447 1 10 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.881 0.383 19679
448 1 10 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.407 -1.184 19679
449 1 10 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.425 1.043 19679
450 1 10 . 1 1 13 13 LYS H H 13 8.305 8.305 8.322 -0.017 19679
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 8 4.568 -0.707 4.825 19679
2 1 1 "Average Difference" HA 12 0.257 0.065 0.259 19679
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19679
4 1 1 "Average Difference" CA 11 1.346 0.113 1.407 19679
5 1 1 "Average Difference" CB 8 1.456 -0.968 1.163 19679
6 1 1 "Average Difference" HN 8 0.494 -0.245 0.459 19679
7 1 2 "Average Difference" N 8 5.727 -0.662 6.082 19679
8 1 2 "Average Difference" HA 12 0.249 -0.056 0.253 19679
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19679
10 1 2 "Average Difference" CA 11 1.149 0.315 1.158 19679
11 1 2 "Average Difference" CB 8 2.211 -0.570 2.284 19679
12 1 2 "Average Difference" HN 8 0.468 -0.138 0.478 19679
13 1 3 "Average Difference" N 8 5.050 0.944 5.304 19679
14 1 3 "Average Difference" HA 12 0.246 -0.046 0.253 19679
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19679
16 1 3 "Average Difference" CA 11 1.203 0.299 1.222 19679
17 1 3 "Average Difference" CB 8 1.647 -0.486 1.682 19679
18 1 3 "Average Difference" HN 8 0.361 -0.149 0.352 19679
19 1 4 "Average Difference" N 8 7.113 0.227 7.600 19679
20 1 4 "Average Difference" HA 12 0.189 0.065 0.185 19679
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19679
22 1 4 "Average Difference" CA 11 1.271 -0.256 1.305 19679
23 1 4 "Average Difference" CB 8 1.699 -1.154 1.333 19679
24 1 4 "Average Difference" HN 8 0.418 -0.297 0.314 19679
25 1 5 "Average Difference" N 8 6.666 -0.371 7.115 19679
26 1 5 "Average Difference" HA 12 0.254 -0.033 0.263 19679
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19679
28 1 5 "Average Difference" CA 11 1.658 0.162 1.730 19679
29 1 5 "Average Difference" CB 8 1.699 -1.332 1.127 19679
30 1 5 "Average Difference" HN 8 0.473 -0.263 0.420 19679
31 1 6 "Average Difference" N 8 4.173 0.554 4.422 19679
32 1 6 "Average Difference" HA 12 0.308 -0.028 0.320 19679
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19679
34 1 6 "Average Difference" CA 11 1.196 0.332 1.205 19679
35 1 6 "Average Difference" CB 8 2.344 -1.631 1.799 19679
36 1 6 "Average Difference" HN 8 0.458 -0.200 0.440 19679
37 1 7 "Average Difference" N 8 5.407 2.210 5.276 19679
38 1 7 "Average Difference" HA 12 0.335 -0.039 0.347 19679
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19679
40 1 7 "Average Difference" CA 11 1.404 0.257 1.448 19679
41 1 7 "Average Difference" CB 8 2.050 -1.060 1.876 19679
42 1 7 "Average Difference" HN 8 0.369 -0.137 0.366 19679
43 1 8 "Average Difference" N 8 5.885 0.543 6.264 19679
44 1 8 "Average Difference" HA 12 0.262 -0.060 0.266 19679
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19679
46 1 8 "Average Difference" CA 11 1.241 0.165 1.290 19679
47 1 8 "Average Difference" CB 8 1.698 -0.869 1.559 19679
48 1 8 "Average Difference" HN 8 0.369 -0.177 0.346 19679
49 1 9 "Average Difference" N 8 4.309 0.174 4.602 19679
50 1 9 "Average Difference" HA 12 0.315 -0.167 0.279 19679
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19679
52 1 9 "Average Difference" CA 11 0.977 0.131 1.016 19679
53 1 9 "Average Difference" CB 8 1.941 -0.969 1.798 19679
54 1 9 "Average Difference" HN 8 0.516 -0.180 0.517 19679
55 1 10 "Average Difference" N 8 4.655 0.995 4.862 19679
56 1 10 "Average Difference" HA 12 0.305 -0.146 0.280 19679
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19679
58 1 10 "Average Difference" CA 11 1.256 0.345 1.266 19679
59 1 10 "Average Difference" CB 8 2.063 -1.452 1.567 19679
60 1 10 "Average Difference" HN 8 0.358 -0.100 0.367 19679
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 19679
_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 GLN N N 2 124.366 124.366 122.554 1.812 19679
2 1 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.340 0.091 19679
3 1 . 1 1 2 2 GLN CA C 2 55.707 55.707 56.651 -0.944 19679
4 1 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.530 4.122 19679
5 1 . 1 1 2 2 GLN H H 2 8.853 8.853 8.587 0.266 19679
6 1 . 1 1 3 3 VAL N N 3 124.217 124.217 117.897 6.320 19679
7 1 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.253 0.183 19679
8 1 . 1 1 3 3 VAL CA C 3 60.051 60.051 60.616 -0.565 19679
9 1 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.982 1.541 19679
10 1 . 1 1 3 3 VAL H H 3 8.506 8.506 8.351 0.155 19679
11 1 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.823 -0.456 19679
12 1 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.183 1.409 19679
13 1 . 1 1 5 5 SER N N 5 116.653 116.653 114.657 1.996 19679
14 1 . 1 1 5 5 SER HA H 5 4.451 4.451 4.621 -0.170 19679
15 1 . 1 1 5 5 SER CA C 5 58.328 58.328 58.043 0.285 19679
16 1 . 1 1 5 5 SER CB C 5 64.082 64.082 63.296 0.786 19679
17 1 . 1 1 5 5 SER H H 5 8.429 8.429 8.695 -0.266 19679
18 1 . 1 1 6 6 GLY N N 6 110.693 110.693 110.018 0.674 19679
19 1 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.483 -0.888 19679
20 1 . 1 1 6 6 GLY H H 6 8.242 8.242 7.655 0.587 19679
21 1 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.521 -0.126 19679
22 1 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.778 0.255 19679
23 1 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.336 0.806 19679
24 1 . 1 1 8 8 ASN N N 8 119.743 119.743 117.451 2.291 19679
25 1 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.527 0.132 19679
26 1 . 1 1 8 8 ASN CA C 8 53.219 53.219 51.739 1.480 19679
27 1 . 1 1 8 8 ASN CB C 8 38.892 38.892 39.354 -0.462 19679
28 1 . 1 1 8 8 ASN H H 8 8.332 8.332 7.881 0.451 19679
29 1 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.425 0.150 19679
30 1 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.105 -0.728 19679
31 1 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.518 0.527 19679
32 1 . 1 1 10 10 LEU N N 10 120.411 120.411 124.796 -4.385 19679
33 1 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.182 0.037 19679
34 1 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.067 0.217 19679
35 1 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.298 0.748 19679
36 1 . 1 1 10 10 LEU H H 10 8.160 8.160 8.218 -0.058 19679
37 1 . 1 1 11 11 HIS N N 11 118.056 118.056 118.659 -0.603 19679
38 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.392 0.286 19679
39 1 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.619 -1.651 19679
40 1 . 1 1 11 11 HIS H H 11 8.288 8.288 8.064 0.224 19679
41 1 . 1 1 13 13 LYS N N 13 105.346 105.346 116.579 -11.233 19679
42 1 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.040 0.224 19679
43 1 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.142 -0.919 19679
44 1 . 1 1 13 13 LYS CB C 13 32.468 32.468 32.143 0.325 19679
45 1 . 1 1 13 13 LYS H H 13 8.305 8.305 8.156 0.149 19679
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