data_19674
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19674
_Entry.PDB_ID 2MID
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 19674
_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 LEU N N 2 120.848 120.848 121.475 -0.627 19674
2 1 1 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.708 -0.466 19674
3 1 1 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.359 -1.181 19674
4 1 1 . 1 1 2 2 LEU CB C 2 42.217 42.217 44.613 -2.396 19674
5 1 1 . 1 1 2 2 LEU H H 2 8.184 8.184 8.480 -0.296 19674
6 1 1 . 1 1 3 3 VAL N N 3 124.469 124.469 113.027 11.442 19674
7 1 1 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.685 -0.275 19674
8 1 1 . 1 1 3 3 VAL CA C 3 59.827 59.827 58.382 1.445 19674
9 1 1 . 1 1 3 3 VAL CB C 3 32.719 32.719 33.532 -0.813 19674
10 1 1 . 1 1 3 3 VAL H H 3 8.387 8.387 7.572 0.815 19674
11 1 1 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.519 -0.144 19674
12 1 1 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.582 -0.089 19674
13 1 1 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.137 2.049 19674
14 1 1 . 1 1 5 5 SER N N 5 116.475 116.475 115.409 1.066 19674
15 1 1 . 1 1 5 5 SER HA H 5 4.449 4.449 4.526 -0.077 19674
16 1 1 . 1 1 5 5 SER CA C 5 58.367 58.367 58.203 0.164 19674
17 1 1 . 1 1 5 5 SER CB C 5 64.128 64.128 64.038 0.090 19674
18 1 1 . 1 1 5 5 SER H H 5 8.408 8.408 8.255 0.153 19674
19 1 1 . 1 1 6 6 GLY N N 6 110.710 110.710 109.918 0.792 19674
20 1 1 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.585 0.018 19674
21 1 1 . 1 1 6 6 GLY H H 6 8.227 8.227 8.243 -0.016 19674
22 1 1 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.380 0.022 19674
23 1 1 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.723 0.521 19674
24 1 1 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.432 -0.220 19674
25 1 1 . 1 1 8 8 ASN N N 8 120.140 120.140 116.481 3.659 19674
26 1 1 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.627 0.296 19674
27 1 1 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.440 -2.048 19674
28 1 1 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.071 1.755 19674
29 1 1 . 1 1 8 8 ASN H H 8 8.538 8.538 8.556 -0.018 19674
30 1 1 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.638 -0.222 19674
31 1 1 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.590 0.621 19674
32 1 1 . 1 1 10 10 LEU N N 10 105.649 105.649 125.257 -19.608 19674
33 1 1 . 1 1 10 10 LEU HA H 10 4.425 4.425 3.849 0.576 19674
34 1 1 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.984 -2.809 19674
35 1 1 . 1 1 10 10 LEU CB C 10 42.355 42.355 40.776 1.579 19674
36 1 1 . 1 1 10 10 LEU H H 10 8.696 8.696 8.340 0.356 19674
37 1 1 . 1 1 11 11 HIS N N 11 118.257 118.257 117.999 0.258 19674
38 1 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.468 0.210 19674
39 1 1 . 1 1 11 11 HIS CA C 11 54.573 54.573 56.396 -1.823 19674
40 1 1 . 1 1 11 11 HIS CB C 11 29.172 29.172 31.496 -2.324 19674
41 1 1 . 1 1 11 11 HIS H H 11 8.213 8.213 8.154 0.059 19674
42 1 2 . 1 1 2 2 LEU N N 2 120.848 120.848 116.800 4.048 19674
43 1 2 . 1 1 2 2 LEU HA H 2 4.242 4.242 3.954 0.287 19674
44 1 2 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.892 -1.714 19674
45 1 2 . 1 1 2 2 LEU CB C 2 42.217 42.217 41.679 0.538 19674
46 1 2 . 1 1 2 2 LEU H H 2 8.184 8.184 8.569 -0.385 19674
47 1 2 . 1 1 3 3 VAL N N 3 124.469 124.469 120.216 4.253 19674
48 1 2 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.544 -0.134 19674
49 1 2 . 1 1 3 3 VAL CA C 3 59.827 59.827 59.025 0.802 19674
50 1 2 . 1 1 3 3 VAL CB C 3 32.719 32.719 34.607 -1.888 19674
51 1 2 . 1 1 3 3 VAL H H 3 8.387 8.387 7.526 0.861 19674
52 1 2 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.777 -0.402 19674
53 1 2 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.850 0.643 19674
54 1 2 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.112 2.074 19674
55 1 2 . 1 1 5 5 SER N N 5 116.475 116.475 116.399 0.076 19674
56 1 2 . 1 1 5 5 SER HA H 5 4.449 4.449 4.605 -0.156 19674
57 1 2 . 1 1 5 5 SER CA C 5 58.367 58.367 57.653 0.714 19674
58 1 2 . 1 1 5 5 SER CB C 5 64.128 64.128 66.084 -1.956 19674
59 1 2 . 1 1 5 5 SER H H 5 8.408 8.408 8.323 0.085 19674
60 1 2 . 1 1 6 6 GLY N N 6 110.710 110.710 110.731 -0.021 19674
61 1 2 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.548 0.055 19674
62 1 2 . 1 1 6 6 GLY H H 6 8.227 8.227 8.289 -0.062 19674
63 1 2 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.417 -0.015 19674
64 1 2 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.961 0.283 19674
65 1 2 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.319 -0.107 19674
66 1 2 . 1 1 8 8 ASN N N 8 120.140 120.140 116.615 3.525 19674
67 1 2 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.515 0.408 19674
68 1 2 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.140 -1.748 19674
69 1 2 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.660 1.167 19674
70 1 2 . 1 1 8 8 ASN H H 8 8.538 8.538 8.695 -0.157 19674
71 1 2 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.580 -0.164 19674
72 1 2 . 1 1 9 9 PRO CB C 9 32.211 32.211 30.631 1.580 19674
73 1 2 . 1 1 10 10 LEU N N 10 105.649 105.649 118.190 -12.541 19674
74 1 2 . 1 1 10 10 LEU HA H 10 4.425 4.425 3.806 0.619 19674
75 1 2 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.675 -2.500 19674
76 1 2 . 1 1 10 10 LEU CB C 10 42.355 42.355 40.663 1.692 19674
77 1 2 . 1 1 10 10 LEU H H 10 8.696 8.696 8.815 -0.119 19674
78 1 2 . 1 1 11 11 HIS N N 11 118.257 118.257 120.378 -2.121 19674
79 1 2 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.642 0.036 19674
80 1 2 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.464 -0.891 19674
81 1 2 . 1 1 11 11 HIS CB C 11 29.172 29.172 28.006 1.165 19674
82 1 2 . 1 1 11 11 HIS H H 11 8.213 8.213 8.134 0.079 19674
83 1 3 . 1 1 2 2 LEU N N 2 120.848 120.848 121.380 -0.532 19674
84 1 3 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.602 -0.360 19674
85 1 3 . 1 1 2 2 LEU CA C 2 55.178 55.178 54.859 0.319 19674
86 1 3 . 1 1 2 2 LEU CB C 2 42.217 42.217 43.969 -1.752 19674
87 1 3 . 1 1 2 2 LEU H H 2 8.184 8.184 8.207 -0.023 19674
88 1 3 . 1 1 3 3 VAL N N 3 124.469 124.469 120.643 3.826 19674
89 1 3 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.930 0.480 19674
90 1 3 . 1 1 3 3 VAL CA C 3 59.827 59.827 61.481 -1.654 19674
91 1 3 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.090 0.629 19674
92 1 3 . 1 1 3 3 VAL H H 3 8.387 8.387 8.381 0.006 19674
93 1 3 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.495 -0.120 19674
94 1 3 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.722 -0.229 19674
95 1 3 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.705 1.481 19674
96 1 3 . 1 1 5 5 SER N N 5 116.475 116.475 118.825 -2.350 19674
97 1 3 . 1 1 5 5 SER HA H 5 4.449 4.449 4.555 -0.106 19674
98 1 3 . 1 1 5 5 SER CA C 5 58.367 58.367 57.481 0.886 19674
99 1 3 . 1 1 5 5 SER CB C 5 64.128 64.128 65.796 -1.668 19674
100 1 3 . 1 1 5 5 SER H H 5 8.408 8.408 8.371 0.037 19674
101 1 3 . 1 1 6 6 GLY N N 6 110.710 110.710 109.680 1.030 19674
102 1 3 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.442 0.161 19674
103 1 3 . 1 1 6 6 GLY H H 6 8.227 8.227 8.293 -0.066 19674
104 1 3 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.488 -0.086 19674
105 1 3 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.600 0.644 19674
106 1 3 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.361 -0.149 19674
107 1 3 . 1 1 8 8 ASN N N 8 120.140 120.140 116.293 3.847 19674
108 1 3 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.466 0.457 19674
109 1 3 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.281 -1.889 19674
110 1 3 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.453 1.373 19674
111 1 3 . 1 1 8 8 ASN H H 8 8.538 8.538 8.574 -0.036 19674
112 1 3 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.341 0.075 19674
113 1 3 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.440 -0.229 19674
114 1 3 . 1 1 10 10 LEU N N 10 105.649 105.649 118.260 -12.611 19674
115 1 3 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.143 0.282 19674
116 1 3 . 1 1 10 10 LEU CA C 10 55.175 55.175 56.849 -1.675 19674
117 1 3 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.909 0.446 19674
118 1 3 . 1 1 10 10 LEU H H 10 8.696 8.696 8.408 0.288 19674
119 1 3 . 1 1 11 11 HIS N N 11 118.257 118.257 117.846 0.411 19674
120 1 3 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.700 -0.022 19674
121 1 3 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.333 -0.760 19674
122 1 3 . 1 1 11 11 HIS CB C 11 29.172 29.172 28.602 0.570 19674
123 1 3 . 1 1 11 11 HIS H H 11 8.213 8.213 8.289 -0.076 19674
124 1 4 . 1 1 2 2 LEU N N 2 120.848 120.848 123.726 -2.878 19674
125 1 4 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.445 -0.203 19674
126 1 4 . 1 1 2 2 LEU CA C 2 55.178 55.178 55.570 -0.392 19674
127 1 4 . 1 1 2 2 LEU CB C 2 42.217 42.217 43.318 -1.101 19674
128 1 4 . 1 1 2 2 LEU H H 2 8.184 8.184 8.281 -0.097 19674
129 1 4 . 1 1 3 3 VAL N N 3 124.469 124.469 124.059 0.410 19674
130 1 4 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.832 0.578 19674
131 1 4 . 1 1 3 3 VAL CA C 3 59.827 59.827 62.362 -2.535 19674
132 1 4 . 1 1 3 3 VAL CB C 3 32.719 32.719 31.801 0.918 19674
133 1 4 . 1 1 3 3 VAL H H 3 8.387 8.387 8.085 0.302 19674
134 1 4 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.333 0.042 19674
135 1 4 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.514 -0.021 19674
136 1 4 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.690 1.496 19674
137 1 4 . 1 1 5 5 SER N N 5 116.475 116.475 119.292 -2.817 19674
138 1 4 . 1 1 5 5 SER HA H 5 4.449 4.449 4.518 -0.069 19674
139 1 4 . 1 1 5 5 SER CA C 5 58.367 58.367 58.610 -0.243 19674
140 1 4 . 1 1 5 5 SER CB C 5 64.128 64.128 64.366 -0.238 19674
141 1 4 . 1 1 5 5 SER H H 5 8.408 8.408 8.124 0.284 19674
142 1 4 . 1 1 6 6 GLY N N 6 110.710 110.710 112.737 -2.027 19674
143 1 4 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.258 0.345 19674
144 1 4 . 1 1 6 6 GLY H H 6 8.227 8.227 8.235 -0.008 19674
145 1 4 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.559 -0.157 19674
146 1 4 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.590 0.654 19674
147 1 4 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.408 -0.196 19674
148 1 4 . 1 1 8 8 ASN N N 8 120.140 120.140 117.476 2.664 19674
149 1 4 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.551 0.372 19674
150 1 4 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.334 -1.942 19674
151 1 4 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.608 1.218 19674
152 1 4 . 1 1 8 8 ASN H H 8 8.538 8.538 8.629 -0.091 19674
153 1 4 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.486 -0.070 19674
154 1 4 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.978 -0.767 19674
155 1 4 . 1 1 10 10 LEU N N 10 105.649 105.649 119.625 -13.976 19674
156 1 4 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.036 0.389 19674
157 1 4 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.111 -1.937 19674
158 1 4 . 1 1 10 10 LEU CB C 10 42.355 42.355 42.502 -0.147 19674
159 1 4 . 1 1 10 10 LEU H H 10 8.696 8.696 8.574 0.122 19674
160 1 4 . 1 1 11 11 HIS N N 11 118.257 118.257 116.373 1.884 19674
161 1 4 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.623 0.055 19674
162 1 4 . 1 1 11 11 HIS CA C 11 54.573 54.573 54.025 0.548 19674
163 1 4 . 1 1 11 11 HIS CB C 11 29.172 29.172 27.869 1.303 19674
164 1 4 . 1 1 11 11 HIS H H 11 8.213 8.213 8.263 -0.050 19674
165 1 5 . 1 1 2 2 LEU N N 2 120.848 120.848 124.324 -3.476 19674
166 1 5 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.560 -0.318 19674
167 1 5 . 1 1 2 2 LEU CA C 2 55.178 55.178 55.484 -0.306 19674
168 1 5 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.651 -0.434 19674
169 1 5 . 1 1 2 2 LEU H H 2 8.184 8.184 8.425 -0.241 19674
170 1 5 . 1 1 3 3 VAL N N 3 124.469 124.469 121.068 3.401 19674
171 1 5 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.294 0.116 19674
172 1 5 . 1 1 3 3 VAL CA C 3 59.827 59.827 59.646 0.181 19674
173 1 5 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.763 -0.044 19674
174 1 5 . 1 1 3 3 VAL H H 3 8.387 8.387 7.884 0.503 19674
175 1 5 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.486 -0.111 19674
176 1 5 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.119 0.374 19674
177 1 5 . 1 1 4 4 PRO CB C 4 32.186 32.186 31.539 0.647 19674
178 1 5 . 1 1 5 5 SER N N 5 116.475 116.475 120.544 -4.069 19674
179 1 5 . 1 1 5 5 SER HA H 5 4.449 4.449 4.584 -0.135 19674
180 1 5 . 1 1 5 5 SER CA C 5 58.367 58.367 57.033 1.333 19674
181 1 5 . 1 1 5 5 SER CB C 5 64.128 64.128 63.394 0.734 19674
182 1 5 . 1 1 5 5 SER H H 5 8.408 8.408 8.044 0.364 19674
183 1 5 . 1 1 6 6 GLY N N 6 110.710 110.710 114.402 -3.692 19674
184 1 5 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.488 0.115 19674
185 1 5 . 1 1 6 6 GLY H H 6 8.227 8.227 8.085 0.142 19674
186 1 5 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.366 0.036 19674
187 1 5 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.911 0.333 19674
188 1 5 . 1 1 7 7 PRO CB C 7 32.212 32.212 31.800 0.412 19674
189 1 5 . 1 1 8 8 ASN N N 8 120.140 120.140 117.956 2.184 19674
190 1 5 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.448 0.475 19674
191 1 5 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.459 -2.067 19674
192 1 5 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.610 2.216 19674
193 1 5 . 1 1 8 8 ASN H H 8 8.538 8.538 8.674 -0.136 19674
194 1 5 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.220 0.196 19674
195 1 5 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.967 0.244 19674
196 1 5 . 1 1 10 10 LEU N N 10 105.649 105.649 115.155 -9.506 19674
197 1 5 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.500 -0.075 19674
198 1 5 . 1 1 10 10 LEU CA C 10 55.175 55.175 55.216 -0.041 19674
199 1 5 . 1 1 10 10 LEU CB C 10 42.355 42.355 43.231 -0.876 19674
200 1 5 . 1 1 10 10 LEU H H 10 8.696 8.696 7.809 0.887 19674
201 1 5 . 1 1 11 11 HIS N N 11 118.257 118.257 116.827 1.430 19674
202 1 5 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.590 0.088 19674
203 1 5 . 1 1 11 11 HIS CA C 11 54.573 54.573 56.082 -1.509 19674
204 1 5 . 1 1 11 11 HIS CB C 11 29.172 29.172 32.075 -2.903 19674
205 1 5 . 1 1 11 11 HIS H H 11 8.213 8.213 7.845 0.368 19674
206 1 6 . 1 1 2 2 LEU N N 2 120.848 120.848 125.734 -4.886 19674
207 1 6 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.453 -0.211 19674
208 1 6 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.780 -1.602 19674
209 1 6 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.441 -0.224 19674
210 1 6 . 1 1 2 2 LEU H H 2 8.184 8.184 8.373 -0.189 19674
211 1 6 . 1 1 3 3 VAL N N 3 124.469 124.469 116.364 8.105 19674
212 1 6 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.504 -0.094 19674
213 1 6 . 1 1 3 3 VAL CA C 3 59.827 59.827 58.411 1.416 19674
214 1 6 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.313 0.406 19674
215 1 6 . 1 1 3 3 VAL H H 3 8.387 8.387 7.845 0.542 19674
216 1 6 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.587 -0.212 19674
217 1 6 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.796 0.697 19674
218 1 6 . 1 1 4 4 PRO CB C 4 32.186 32.186 31.186 1.000 19674
219 1 6 . 1 1 5 5 SER N N 5 116.475 116.475 120.514 -4.039 19674
220 1 6 . 1 1 5 5 SER HA H 5 4.449 4.449 4.590 -0.141 19674
221 1 6 . 1 1 5 5 SER CA C 5 58.367 58.367 57.431 0.936 19674
222 1 6 . 1 1 5 5 SER CB C 5 64.128 64.128 63.187 0.941 19674
223 1 6 . 1 1 5 5 SER H H 5 8.408 8.408 8.067 0.341 19674
224 1 6 . 1 1 6 6 GLY N N 6 110.710 110.710 113.447 -2.737 19674
225 1 6 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.350 0.253 19674
226 1 6 . 1 1 6 6 GLY H H 6 8.227 8.227 7.994 0.233 19674
227 1 6 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.409 -0.007 19674
228 1 6 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.570 0.674 19674
229 1 6 . 1 1 7 7 PRO CB C 7 32.212 32.212 31.966 0.246 19674
230 1 6 . 1 1 8 8 ASN N N 8 120.140 120.140 116.417 3.723 19674
231 1 6 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.501 0.422 19674
232 1 6 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.519 -2.127 19674
233 1 6 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.449 2.377 19674
234 1 6 . 1 1 8 8 ASN H H 8 8.538 8.538 8.709 -0.171 19674
235 1 6 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.333 0.083 19674
236 1 6 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.197 0.014 19674
237 1 6 . 1 1 10 10 LEU N N 10 105.649 105.649 114.660 -9.011 19674
238 1 6 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.513 -0.088 19674
239 1 6 . 1 1 10 10 LEU CA C 10 55.175 55.175 54.538 0.637 19674
240 1 6 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.996 0.359 19674
241 1 6 . 1 1 10 10 LEU H H 10 8.696 8.696 7.739 0.957 19674
242 1 6 . 1 1 11 11 HIS N N 11 118.257 118.257 117.892 0.365 19674
243 1 6 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.712 -0.034 19674
244 1 6 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.223 -0.650 19674
245 1 6 . 1 1 11 11 HIS CB C 11 29.172 29.172 29.577 -0.405 19674
246 1 6 . 1 1 11 11 HIS H H 11 8.213 8.213 7.965 0.248 19674
247 1 7 . 1 1 2 2 LEU N N 2 120.848 120.848 122.947 -2.099 19674
248 1 7 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.573 -0.331 19674
249 1 7 . 1 1 2 2 LEU CA C 2 55.178 55.178 54.545 0.633 19674
250 1 7 . 1 1 2 2 LEU CB C 2 42.217 42.217 41.952 0.265 19674
251 1 7 . 1 1 2 2 LEU H H 2 8.184 8.184 7.914 0.270 19674
252 1 7 . 1 1 3 3 VAL N N 3 124.469 124.469 122.713 1.756 19674
253 1 7 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.902 0.508 19674
254 1 7 . 1 1 3 3 VAL CA C 3 59.827 59.827 62.142 -2.316 19674
255 1 7 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.010 0.709 19674
256 1 7 . 1 1 3 3 VAL H H 3 8.387 8.387 8.311 0.076 19674
257 1 7 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.433 -0.058 19674
258 1 7 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.793 -0.300 19674
259 1 7 . 1 1 4 4 PRO CB C 4 32.186 32.186 31.615 0.571 19674
260 1 7 . 1 1 5 5 SER N N 5 116.475 116.475 119.510 -3.035 19674
261 1 7 . 1 1 5 5 SER HA H 5 4.449 4.449 4.628 -0.179 19674
262 1 7 . 1 1 5 5 SER CA C 5 58.367 58.367 57.819 0.548 19674
263 1 7 . 1 1 5 5 SER CB C 5 64.128 64.128 65.624 -1.496 19674
264 1 7 . 1 1 5 5 SER H H 5 8.408 8.408 8.016 0.392 19674
265 1 7 . 1 1 6 6 GLY N N 6 110.710 110.710 110.951 -0.241 19674
266 1 7 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.413 0.190 19674
267 1 7 . 1 1 6 6 GLY H H 6 8.227 8.227 8.205 0.022 19674
268 1 7 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.485 -0.083 19674
269 1 7 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.529 0.715 19674
270 1 7 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.417 -0.205 19674
271 1 7 . 1 1 8 8 ASN N N 8 120.140 120.140 116.290 3.850 19674
272 1 7 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.475 0.448 19674
273 1 7 . 1 1 8 8 ASN CA C 8 51.392 51.392 52.936 -1.544 19674
274 1 7 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.718 1.107 19674
275 1 7 . 1 1 8 8 ASN H H 8 8.538 8.538 8.553 -0.015 19674
276 1 7 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.407 0.009 19674
277 1 7 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.369 -0.158 19674
278 1 7 . 1 1 10 10 LEU N N 10 105.649 105.649 117.595 -11.946 19674
279 1 7 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.122 0.303 19674
280 1 7 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.453 -2.279 19674
281 1 7 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.928 0.427 19674
282 1 7 . 1 1 10 10 LEU H H 10 8.696 8.696 8.052 0.644 19674
283 1 7 . 1 1 11 11 HIS N N 11 118.257 118.257 117.558 0.699 19674
284 1 7 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.730 -0.052 19674
285 1 7 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.799 -1.226 19674
286 1 7 . 1 1 11 11 HIS CB C 11 29.172 29.172 27.819 1.353 19674
287 1 7 . 1 1 11 11 HIS H H 11 8.213 8.213 8.392 -0.179 19674
288 1 8 . 1 1 2 2 LEU N N 2 120.848 120.848 125.769 -4.921 19674
289 1 8 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.425 -0.183 19674
290 1 8 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.895 -1.717 19674
291 1 8 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.395 -0.178 19674
292 1 8 . 1 1 2 2 LEU H H 2 8.184 8.184 8.206 -0.022 19674
293 1 8 . 1 1 3 3 VAL N N 3 124.469 124.469 120.023 4.446 19674
294 1 8 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.427 -0.017 19674
295 1 8 . 1 1 3 3 VAL CA C 3 59.827 59.827 58.943 0.884 19674
296 1 8 . 1 1 3 3 VAL CB C 3 32.719 32.719 33.282 -0.563 19674
297 1 8 . 1 1 3 3 VAL H H 3 8.387 8.387 7.509 0.878 19674
298 1 8 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.624 -0.249 19674
299 1 8 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.850 0.643 19674
300 1 8 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.527 1.659 19674
301 1 8 . 1 1 5 5 SER N N 5 116.475 116.475 119.407 -2.932 19674
302 1 8 . 1 1 5 5 SER HA H 5 4.449 4.449 4.448 0.001 19674
303 1 8 . 1 1 5 5 SER CA C 5 58.367 58.367 56.893 1.474 19674
304 1 8 . 1 1 5 5 SER CB C 5 64.128 64.128 61.958 2.170 19674
305 1 8 . 1 1 5 5 SER H H 5 8.408 8.408 8.051 0.357 19674
306 1 8 . 1 1 6 6 GLY N N 6 110.710 110.710 111.257 -0.547 19674
307 1 8 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.590 0.013 19674
308 1 8 . 1 1 6 6 GLY H H 6 8.227 8.227 7.676 0.551 19674
309 1 8 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.571 -0.169 19674
310 1 8 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.509 0.735 19674
311 1 8 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.294 -0.082 19674
312 1 8 . 1 1 8 8 ASN N N 8 120.140 120.140 117.226 2.914 19674
313 1 8 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.458 0.465 19674
314 1 8 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.112 -1.720 19674
315 1 8 . 1 1 8 8 ASN CB C 8 38.826 38.826 38.138 0.688 19674
316 1 8 . 1 1 8 8 ASN H H 8 8.538 8.538 8.832 -0.294 19674
317 1 8 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.371 0.045 19674
318 1 8 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.255 -0.044 19674
319 1 8 . 1 1 10 10 LEU N N 10 105.649 105.649 115.196 -9.547 19674
320 1 8 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.612 -0.187 19674
321 1 8 . 1 1 10 10 LEU CA C 10 55.175 55.175 55.284 -0.109 19674
322 1 8 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.727 0.628 19674
323 1 8 . 1 1 10 10 LEU H H 10 8.696 8.696 7.867 0.829 19674
324 1 8 . 1 1 11 11 HIS N N 11 118.257 118.257 117.235 1.022 19674
325 1 8 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.617 0.061 19674
326 1 8 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.995 -1.422 19674
327 1 8 . 1 1 11 11 HIS CB C 11 29.172 29.172 30.972 -1.800 19674
328 1 8 . 1 1 11 11 HIS H H 11 8.213 8.213 8.093 0.120 19674
329 1 9 . 1 1 2 2 LEU N N 2 120.848 120.848 121.358 -0.510 19674
330 1 9 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.367 -0.125 19674
331 1 9 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.506 -1.328 19674
332 1 9 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.260 -0.043 19674
333 1 9 . 1 1 2 2 LEU H H 2 8.184 8.184 8.242 -0.058 19674
334 1 9 . 1 1 3 3 VAL N N 3 124.469 124.469 118.949 5.520 19674
335 1 9 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.432 -0.022 19674
336 1 9 . 1 1 3 3 VAL CA C 3 59.827 59.827 59.513 0.314 19674
337 1 9 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.267 0.452 19674
338 1 9 . 1 1 3 3 VAL H H 3 8.387 8.387 7.707 0.680 19674
339 1 9 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.546 -0.171 19674
340 1 9 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.965 0.528 19674
341 1 9 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.319 1.867 19674
342 1 9 . 1 1 5 5 SER N N 5 116.475 116.475 117.695 -1.220 19674
343 1 9 . 1 1 5 5 SER HA H 5 4.449 4.449 4.635 -0.186 19674
344 1 9 . 1 1 5 5 SER CA C 5 58.367 58.367 57.887 0.480 19674
345 1 9 . 1 1 5 5 SER CB C 5 64.128 64.128 65.648 -1.520 19674
346 1 9 . 1 1 5 5 SER H H 5 8.408 8.408 8.071 0.337 19674
347 1 9 . 1 1 6 6 GLY N N 6 110.710 110.710 112.235 -1.525 19674
348 1 9 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.236 0.367 19674
349 1 9 . 1 1 6 6 GLY H H 6 8.227 8.227 8.551 -0.324 19674
350 1 9 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.383 0.019 19674
351 1 9 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.939 0.305 19674
352 1 9 . 1 1 7 7 PRO CB C 7 32.212 32.212 31.826 0.386 19674
353 1 9 . 1 1 8 8 ASN N N 8 120.140 120.140 120.042 0.098 19674
354 1 9 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.494 0.429 19674
355 1 9 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.224 -1.832 19674
356 1 9 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.937 1.889 19674
357 1 9 . 1 1 8 8 ASN H H 8 8.538 8.538 8.712 -0.174 19674
358 1 9 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.392 0.024 19674
359 1 9 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.773 0.438 19674
360 1 9 . 1 1 10 10 LEU N N 10 105.649 105.649 114.831 -9.182 19674
361 1 9 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.537 -0.113 19674
362 1 9 . 1 1 10 10 LEU CA C 10 55.175 55.175 54.553 0.622 19674
363 1 9 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.857 0.498 19674
364 1 9 . 1 1 10 10 LEU H H 10 8.696 8.696 7.963 0.733 19674
365 1 9 . 1 1 11 11 HIS N N 11 118.257 118.257 119.902 -1.645 19674
366 1 9 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.493 0.185 19674
367 1 9 . 1 1 11 11 HIS CA C 11 54.573 54.573 57.885 -3.312 19674
368 1 9 . 1 1 11 11 HIS CB C 11 29.172 29.172 30.844 -1.672 19674
369 1 9 . 1 1 11 11 HIS H H 11 8.213 8.213 7.995 0.218 19674
370 1 10 . 1 1 2 2 LEU N N 2 120.848 120.848 123.568 -2.720 19674
371 1 10 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.418 -0.176 19674
372 1 10 . 1 1 2 2 LEU CA C 2 55.178 55.178 54.350 0.828 19674
373 1 10 . 1 1 2 2 LEU CB C 2 42.217 42.217 40.115 2.102 19674
374 1 10 . 1 1 2 2 LEU H H 2 8.184 8.184 8.195 -0.011 19674
375 1 10 . 1 1 3 3 VAL N N 3 124.469 124.469 122.364 2.105 19674
376 1 10 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.859 0.551 19674
377 1 10 . 1 1 3 3 VAL CA C 3 59.827 59.827 62.638 -2.811 19674
378 1 10 . 1 1 3 3 VAL CB C 3 32.719 32.719 31.229 1.490 19674
379 1 10 . 1 1 3 3 VAL H H 3 8.387 8.387 8.108 0.279 19674
380 1 10 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.571 -0.196 19674
381 1 10 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.053 0.440 19674
382 1 10 . 1 1 4 4 PRO CB C 4 32.186 32.186 32.169 0.017 19674
383 1 10 . 1 1 5 5 SER N N 5 116.475 116.475 113.187 3.288 19674
384 1 10 . 1 1 5 5 SER HA H 5 4.449 4.449 4.351 0.098 19674
385 1 10 . 1 1 5 5 SER CA C 5 58.367 58.367 58.354 0.013 19674
386 1 10 . 1 1 5 5 SER CB C 5 64.128 64.128 62.917 1.211 19674
387 1 10 . 1 1 5 5 SER H H 5 8.408 8.408 8.075 0.333 19674
388 1 10 . 1 1 6 6 GLY N N 6 110.710 110.710 110.000 0.710 19674
389 1 10 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.110 0.493 19674
390 1 10 . 1 1 6 6 GLY H H 6 8.227 8.227 7.995 0.232 19674
391 1 10 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.491 -0.089 19674
392 1 10 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.440 0.804 19674
393 1 10 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.443 -0.231 19674
394 1 10 . 1 1 8 8 ASN N N 8 120.140 120.140 112.054 8.086 19674
395 1 10 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.383 0.540 19674
396 1 10 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.306 -1.914 19674
397 1 10 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.422 2.405 19674
398 1 10 . 1 1 8 8 ASN H H 8 8.538 8.538 8.434 0.104 19674
399 1 10 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.326 0.090 19674
400 1 10 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.686 0.525 19674
401 1 10 . 1 1 10 10 LEU N N 10 105.649 105.649 121.533 -15.884 19674
402 1 10 . 1 1 10 10 LEU HA H 10 4.425 4.425 3.865 0.560 19674
403 1 10 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.213 -2.038 19674
404 1 10 . 1 1 10 10 LEU CB C 10 42.355 42.355 40.970 1.385 19674
405 1 10 . 1 1 10 10 LEU H H 10 8.696 8.696 8.548 0.148 19674
406 1 10 . 1 1 11 11 HIS N N 11 118.257 118.257 116.506 1.751 19674
407 1 10 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.866 -0.188 19674
408 1 10 . 1 1 11 11 HIS CA C 11 54.573 54.573 54.724 -0.151 19674
409 1 10 . 1 1 11 11 HIS CB C 11 29.172 29.172 31.849 -2.677 19674
410 1 10 . 1 1 11 11 HIS H H 11 8.213 8.213 8.114 0.099 19674
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 7 8.710 0.431 9.396 19674
2 1 1 "Average Difference" HA 11 0.317 -0.059 0.326 19674
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19674
4 1 1 "Average Difference" CA 9 1.460 0.645 1.390 19674
5 1 1 "Average Difference" CB 9 1.564 -0.038 1.659 19674
6 1 1 "Average Difference" HN 7 0.360 -0.151 0.353 19674
7 1 2 "Average Difference" N 7 5.460 0.397 5.882 19674
8 1 2 "Average Difference" HA 11 0.323 -0.112 0.318 19674
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19674
10 1 2 "Average Difference" CA 9 1.277 0.484 1.254 19674
11 1 2 "Average Difference" CB 9 1.493 -0.474 1.502 19674
12 1 2 "Average Difference" HN 7 0.367 -0.043 0.394 19674
13 1 3 "Average Difference" N 7 5.285 0.911 5.623 19674
14 1 3 "Average Difference" HA 11 0.295 -0.121 0.282 19674
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19674
16 1 3 "Average Difference" CA 9 1.109 0.466 1.067 19674
17 1 3 "Average Difference" CB 9 1.102 -0.078 1.166 19674
18 1 3 "Average Difference" HN 7 0.117 -0.019 0.125 19674
19 1 4 "Average Difference" N 7 5.688 2.391 5.574 19674
20 1 4 "Average Difference" HA 11 0.291 -0.146 0.264 19674
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19674
22 1 4 "Average Difference" CA 9 1.291 0.614 1.205 19674
23 1 4 "Average Difference" CB 9 0.953 -0.276 0.968 19674
24 1 4 "Average Difference" HN 7 0.172 -0.066 0.172 19674
25 1 5 "Average Difference" N 7 4.645 1.961 4.548 19674
26 1 5 "Average Difference" HA 11 0.267 -0.101 0.259 19674
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19674
28 1 5 "Average Difference" CA 9 0.984 0.176 1.027 19674
29 1 5 "Average Difference" CB 9 1.311 0.000 1.391 19674
30 1 5 "Average Difference" HN 7 0.448 -0.270 0.386 19674
31 1 6 "Average Difference" N 7 5.458 1.211 5.749 19674
32 1 6 "Average Difference" HA 11 0.274 -0.066 0.279 19674
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19674
34 1 6 "Average Difference" CA 9 1.145 -0.026 1.214 19674
35 1 6 "Average Difference" CB 9 0.949 -0.524 0.839 19674
36 1 6 "Average Difference" HN 7 0.464 -0.280 0.399 19674
37 1 7 "Average Difference" N 7 4.997 1.574 5.123 19674
38 1 7 "Average Difference" HA 11 0.292 -0.113 0.282 19674
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19674
40 1 7 "Average Difference" CA 9 1.324 0.620 1.241 19674
41 1 7 "Average Difference" CB 9 0.846 -0.286 0.845 19674
42 1 7 "Average Difference" HN 7 0.312 -0.173 0.280 19674
43 1 8 "Average Difference" N 7 4.684 1.366 4.839 19674
44 1 8 "Average Difference" HA 11 0.287 -0.072 0.291 19674
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19674
46 1 8 "Average Difference" CA 9 1.147 0.135 1.208 19674
47 1 8 "Average Difference" CB 9 1.151 -0.275 1.186 19674
48 1 8 "Average Difference" HN 7 0.533 -0.346 0.438 19674
49 1 9 "Average Difference" N 7 4.167 1.209 4.308 19674
50 1 9 "Average Difference" HA 11 0.254 -0.085 0.252 19674
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19674
52 1 9 "Average Difference" CA 9 1.387 0.428 1.399 19674
53 1 9 "Average Difference" CB 9 1.200 -0.255 1.243 19674
54 1 9 "Average Difference" HN 7 0.431 -0.202 0.411 19674
55 1 10 "Average Difference" N 7 7.009 0.381 7.560 19674
56 1 10 "Average Difference" HA 11 0.316 -0.078 0.321 19674
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19674
58 1 10 "Average Difference" CA 9 1.395 0.482 1.388 19674
59 1 10 "Average Difference" CB 9 1.609 -0.692 1.541 19674
60 1 10 "Average Difference" HN 7 0.202 -0.169 0.119 19674
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 19674
_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 LEU N N 2 120.848 120.848 122.708 -1.860 19674
2 1 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.450 -0.209 19674
3 1 . 1 1 2 2 LEU CA C 2 55.178 55.178 55.824 -0.646 19674
4 1 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.539 -0.322 19674
5 1 . 1 1 2 2 LEU H H 2 8.184 8.184 8.289 -0.105 19674
6 1 . 1 1 3 3 VAL N N 3 124.469 124.469 119.943 4.526 19674
7 1 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.241 0.169 19674
8 1 . 1 1 3 3 VAL CA C 3 59.827 59.827 60.254 -0.427 19674
9 1 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.589 0.130 19674
10 1 . 1 1 3 3 VAL H H 3 8.387 8.387 7.893 0.494 19674
11 1 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.537 -0.162 19674
12 1 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.224 0.269 19674
13 1 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.900 1.286 19674
14 1 . 1 1 5 5 SER N N 5 116.475 116.475 118.078 -1.603 19674
15 1 . 1 1 5 5 SER HA H 5 4.449 4.449 4.544 -0.095 19674
16 1 . 1 1 5 5 SER CA C 5 58.367 58.367 57.736 0.630 19674
17 1 . 1 1 5 5 SER CB C 5 64.128 64.128 64.301 -0.173 19674
18 1 . 1 1 5 5 SER H H 5 8.408 8.408 8.140 0.268 19674
19 1 . 1 1 6 6 GLY N N 6 110.710 110.710 111.536 -0.826 19674
20 1 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.402 0.201 19674
21 1 . 1 1 6 6 GLY H H 6 8.227 8.227 8.157 0.070 19674
22 1 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.455 -0.053 19674
23 1 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.677 0.567 19674
24 1 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.227 -0.015 19674
25 1 . 1 1 8 8 ASN N N 8 120.140 120.140 116.685 3.455 19674
26 1 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.492 0.431 19674
27 1 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.275 -1.883 19674
28 1 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.207 1.619 19674
29 1 . 1 1 8 8 ASN H H 8 8.538 8.538 8.637 -0.099 19674
30 1 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.409 0.007 19674
31 1 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.989 0.222 19674
32 1 . 1 1 10 10 LEU N N 10 105.649 105.649 118.030 -12.381 19674
33 1 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.198 0.227 19674
34 1 . 1 1 10 10 LEU CA C 10 55.175 55.175 56.388 -1.213 19674
35 1 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.756 0.599 19674
36 1 . 1 1 10 10 LEU H H 10 8.696 8.696 8.211 0.484 19674
37 1 . 1 1 11 11 HIS N N 11 118.257 118.257 117.852 0.405 19674
38 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.644 0.034 19674
39 1 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.693 -1.120 19674
40 1 . 1 1 11 11 HIS CB C 11 29.172 29.172 29.911 -0.739 19674
41 1 . 1 1 11 11 HIS H H 11 8.213 8.213 8.124 0.089 19674
stop_
save_