data_25478
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25478
_Entry.PDB_ID 2MZA
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 25478
_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 SER HA H 2 4.370 4.370 4.417 -0.047 25478
2 1 1 . 1 1 2 2 SER H H 2 8.720 8.720 8.521 0.199 25478
3 1 1 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.170 0.130 25478
4 1 1 . 1 1 3 3 LYS H H 3 8.100 8.100 8.519 -0.419 25478
5 1 1 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.391 0.289 25478
6 1 1 . 1 1 4 4 ASP H H 4 8.190 8.190 8.392 -0.202 25478
7 1 1 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.263 -0.193 25478
8 1 1 . 1 1 5 5 LEU H H 5 8.290 8.290 7.490 0.800 25478
9 1 1 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.009 -0.089 25478
10 1 1 . 1 1 6 6 ARG H H 6 7.990 7.990 7.750 0.240 25478
11 1 1 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.537 -0.087 25478
12 1 1 . 1 1 7 7 HIS H H 7 7.720 7.720 7.669 0.051 25478
13 1 1 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.257 -0.077 25478
14 1 1 . 1 1 8 8 ALA H H 8 8.040 8.040 7.985 0.055 25478
15 1 1 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.294 0.016 25478
16 1 1 . 1 1 9 9 PHE H H 9 8.170 8.170 7.487 0.682 25478
17 1 1 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.585 0.125 25478
18 1 1 . 1 1 13 13 PHE H H 13 7.630 7.630 7.447 0.183 25478
19 1 1 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.347 0.103 25478
20 1 1 . 1 1 15 15 SER HA H 15 4.430 4.430 4.335 0.095 25478
21 1 1 . 1 1 15 15 SER H H 15 8.240 8.240 8.377 -0.137 25478
22 1 1 . 1 1 16 16 SER HA H 16 4.400 4.400 4.319 0.081 25478
23 1 1 . 1 1 16 16 SER H H 16 8.160 8.160 7.806 0.354 25478
24 1 2 . 1 1 2 2 SER HA H 2 4.370 4.370 4.367 0.003 25478
25 1 2 . 1 1 2 2 SER H H 2 8.720 8.720 8.353 0.367 25478
26 1 2 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.158 0.142 25478
27 1 2 . 1 1 3 3 LYS H H 3 8.100 8.100 8.262 -0.162 25478
28 1 2 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.531 0.149 25478
29 1 2 . 1 1 4 4 ASP H H 4 8.190 8.190 8.406 -0.216 25478
30 1 2 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.223 -0.153 25478
31 1 2 . 1 1 5 5 LEU H H 5 8.290 8.290 7.523 0.767 25478
32 1 2 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.919 0.001 25478
33 1 2 . 1 1 6 6 ARG H H 6 7.990 7.990 7.534 0.456 25478
34 1 2 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.521 -0.071 25478
35 1 2 . 1 1 7 7 HIS H H 7 7.720 7.720 7.716 0.004 25478
36 1 2 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.256 -0.076 25478
37 1 2 . 1 1 8 8 ALA H H 8 8.040 8.040 7.994 0.046 25478
38 1 2 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.306 0.004 25478
39 1 2 . 1 1 9 9 PHE H H 9 8.170 8.170 7.509 0.661 25478
40 1 2 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.568 0.142 25478
41 1 2 . 1 1 13 13 PHE H H 13 7.630 7.630 7.797 -0.167 25478
42 1 2 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.336 0.114 25478
43 1 2 . 1 1 15 15 SER HA H 15 4.430 4.430 4.379 0.051 25478
44 1 2 . 1 1 15 15 SER H H 15 8.240 8.240 8.341 -0.101 25478
45 1 2 . 1 1 16 16 SER HA H 16 4.400 4.400 4.331 0.069 25478
46 1 2 . 1 1 16 16 SER H H 16 8.160 8.160 7.746 0.414 25478
47 1 3 . 1 1 2 2 SER HA H 2 4.370 4.370 4.345 0.025 25478
48 1 3 . 1 1 2 2 SER H H 2 8.720 8.720 8.668 0.052 25478
49 1 3 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.169 0.131 25478
50 1 3 . 1 1 3 3 LYS H H 3 8.100 8.100 8.211 -0.111 25478
51 1 3 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.489 0.191 25478
52 1 3 . 1 1 4 4 ASP H H 4 8.190 8.190 8.272 -0.082 25478
53 1 3 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.182 -0.112 25478
54 1 3 . 1 1 5 5 LEU H H 5 8.290 8.290 7.466 0.824 25478
55 1 3 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.153 -0.233 25478
56 1 3 . 1 1 6 6 ARG H H 6 7.990 7.990 7.754 0.236 25478
57 1 3 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.488 -0.038 25478
58 1 3 . 1 1 7 7 HIS H H 7 7.720 7.720 7.879 -0.159 25478
59 1 3 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.215 -0.035 25478
60 1 3 . 1 1 8 8 ALA H H 8 8.040 8.040 8.052 -0.012 25478
61 1 3 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.291 0.019 25478
62 1 3 . 1 1 9 9 PHE H H 9 8.170 8.170 7.478 0.692 25478
63 1 3 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.686 0.024 25478
64 1 3 . 1 1 13 13 PHE H H 13 7.630 7.630 8.011 -0.381 25478
65 1 3 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.430 0.020 25478
66 1 3 . 1 1 15 15 SER HA H 15 4.430 4.430 4.318 0.112 25478
67 1 3 . 1 1 15 15 SER H H 15 8.240 8.240 8.460 -0.220 25478
68 1 3 . 1 1 16 16 SER HA H 16 4.400 4.400 4.319 0.081 25478
69 1 3 . 1 1 16 16 SER H H 16 8.160 8.160 7.887 0.273 25478
70 1 4 . 1 1 2 2 SER HA H 2 4.370 4.370 4.537 -0.167 25478
71 1 4 . 1 1 2 2 SER H H 2 8.720 8.720 8.566 0.154 25478
72 1 4 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.267 0.033 25478
73 1 4 . 1 1 3 3 LYS H H 3 8.100 8.100 8.174 -0.074 25478
74 1 4 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.606 0.074 25478
75 1 4 . 1 1 4 4 ASP H H 4 8.190 8.190 8.461 -0.271 25478
76 1 4 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.259 -0.189 25478
77 1 4 . 1 1 5 5 LEU H H 5 8.290 8.290 7.602 0.688 25478
78 1 4 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.135 -0.215 25478
79 1 4 . 1 1 6 6 ARG H H 6 7.990 7.990 7.878 0.112 25478
80 1 4 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.508 -0.058 25478
81 1 4 . 1 1 7 7 HIS H H 7 7.720 7.720 7.827 -0.107 25478
82 1 4 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.240 -0.060 25478
83 1 4 . 1 1 8 8 ALA H H 8 8.040 8.040 8.108 -0.068 25478
84 1 4 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.326 -0.016 25478
85 1 4 . 1 1 9 9 PHE H H 9 8.170 8.170 7.568 0.602 25478
86 1 4 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.734 -0.024 25478
87 1 4 . 1 1 13 13 PHE H H 13 7.630 7.630 8.041 -0.411 25478
88 1 4 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.345 0.105 25478
89 1 4 . 1 1 15 15 SER HA H 15 4.430 4.430 4.354 0.076 25478
90 1 4 . 1 1 15 15 SER H H 15 8.240 8.240 8.689 -0.449 25478
91 1 4 . 1 1 16 16 SER HA H 16 4.400 4.400 4.379 0.021 25478
92 1 4 . 1 1 16 16 SER H H 16 8.160 8.160 7.849 0.311 25478
93 1 5 . 1 1 2 2 SER HA H 2 4.370 4.370 4.462 -0.092 25478
94 1 5 . 1 1 2 2 SER H H 2 8.720 8.720 8.536 0.184 25478
95 1 5 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.230 0.070 25478
96 1 5 . 1 1 3 3 LYS H H 3 8.100 8.100 8.267 -0.167 25478
97 1 5 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.570 0.110 25478
98 1 5 . 1 1 4 4 ASP H H 4 8.190 8.190 8.321 -0.131 25478
99 1 5 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.232 -0.162 25478
100 1 5 . 1 1 5 5 LEU H H 5 8.290 8.290 7.582 0.708 25478
101 1 5 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.130 -0.210 25478
102 1 5 . 1 1 6 6 ARG H H 6 7.990 7.990 7.614 0.376 25478
103 1 5 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.515 -0.065 25478
104 1 5 . 1 1 7 7 HIS H H 7 7.720 7.720 7.756 -0.036 25478
105 1 5 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.249 -0.069 25478
106 1 5 . 1 1 8 8 ALA H H 8 8.040 8.040 7.962 0.078 25478
107 1 5 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.295 0.015 25478
108 1 5 . 1 1 9 9 PHE H H 9 8.170 8.170 7.451 0.719 25478
109 1 5 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.706 0.004 25478
110 1 5 . 1 1 13 13 PHE H H 13 7.630 7.630 7.599 0.031 25478
111 1 5 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.393 0.057 25478
112 1 5 . 1 1 15 15 SER HA H 15 4.430 4.430 4.397 0.033 25478
113 1 5 . 1 1 15 15 SER H H 15 8.240 8.240 8.335 -0.095 25478
114 1 5 . 1 1 16 16 SER HA H 16 4.400 4.400 4.387 0.013 25478
115 1 5 . 1 1 16 16 SER H H 16 8.160 8.160 7.859 0.301 25478
116 1 6 . 1 1 2 2 SER HA H 2 4.370 4.370 4.388 -0.018 25478
117 1 6 . 1 1 2 2 SER H H 2 8.720 8.720 8.658 0.062 25478
118 1 6 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.209 0.091 25478
119 1 6 . 1 1 3 3 LYS H H 3 8.100 8.100 8.457 -0.357 25478
120 1 6 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.563 0.117 25478
121 1 6 . 1 1 4 4 ASP H H 4 8.190 8.190 8.244 -0.054 25478
122 1 6 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.232 -0.162 25478
123 1 6 . 1 1 5 5 LEU H H 5 8.290 8.290 7.504 0.786 25478
124 1 6 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.080 -0.160 25478
125 1 6 . 1 1 6 6 ARG H H 6 7.990 7.990 7.729 0.261 25478
126 1 6 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.494 -0.044 25478
127 1 6 . 1 1 7 7 HIS H H 7 7.720 7.720 7.710 0.010 25478
128 1 6 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.190 -0.010 25478
129 1 6 . 1 1 8 8 ALA H H 8 8.040 8.040 8.025 0.015 25478
130 1 6 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.265 0.045 25478
131 1 6 . 1 1 9 9 PHE H H 9 8.170 8.170 7.477 0.693 25478
132 1 6 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.746 -0.036 25478
133 1 6 . 1 1 13 13 PHE H H 13 7.630 7.630 7.946 -0.316 25478
134 1 6 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.374 0.076 25478
135 1 6 . 1 1 15 15 SER HA H 15 4.430 4.430 4.331 0.099 25478
136 1 6 . 1 1 15 15 SER H H 15 8.240 8.240 8.569 -0.329 25478
137 1 6 . 1 1 16 16 SER HA H 16 4.400 4.400 4.325 0.075 25478
138 1 6 . 1 1 16 16 SER H H 16 8.160 8.160 7.844 0.316 25478
139 1 7 . 1 1 2 2 SER HA H 2 4.370 4.370 4.340 0.030 25478
140 1 7 . 1 1 2 2 SER H H 2 8.720 8.720 8.594 0.126 25478
141 1 7 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.283 0.017 25478
142 1 7 . 1 1 3 3 LYS H H 3 8.100 8.100 8.305 -0.205 25478
143 1 7 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.490 0.190 25478
144 1 7 . 1 1 4 4 ASP H H 4 8.190 8.190 8.422 -0.232 25478
145 1 7 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.239 -0.169 25478
146 1 7 . 1 1 5 5 LEU H H 5 8.290 8.290 7.539 0.751 25478
147 1 7 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.007 -0.087 25478
148 1 7 . 1 1 6 6 ARG H H 6 7.990 7.990 7.707 0.283 25478
149 1 7 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.504 -0.054 25478
150 1 7 . 1 1 7 7 HIS H H 7 7.720 7.720 7.803 -0.083 25478
151 1 7 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.205 -0.025 25478
152 1 7 . 1 1 8 8 ALA H H 8 8.040 8.040 7.999 0.041 25478
153 1 7 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.225 0.085 25478
154 1 7 . 1 1 9 9 PHE H H 9 8.170 8.170 7.390 0.780 25478
155 1 7 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.617 0.093 25478
156 1 7 . 1 1 13 13 PHE H H 13 7.630 7.630 7.495 0.135 25478
157 1 7 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.351 0.099 25478
158 1 7 . 1 1 15 15 SER HA H 15 4.430 4.430 4.327 0.103 25478
159 1 7 . 1 1 15 15 SER H H 15 8.240 8.240 8.505 -0.265 25478
160 1 7 . 1 1 16 16 SER HA H 16 4.400 4.400 4.413 -0.013 25478
161 1 7 . 1 1 16 16 SER H H 16 8.160 8.160 7.761 0.399 25478
162 1 8 . 1 1 2 2 SER HA H 2 4.370 4.370 4.335 0.035 25478
163 1 8 . 1 1 2 2 SER H H 2 8.720 8.720 8.653 0.067 25478
164 1 8 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.223 0.077 25478
165 1 8 . 1 1 3 3 LYS H H 3 8.100 8.100 8.222 -0.122 25478
166 1 8 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.493 0.187 25478
167 1 8 . 1 1 4 4 ASP H H 4 8.190 8.190 8.283 -0.093 25478
168 1 8 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.222 -0.152 25478
169 1 8 . 1 1 5 5 LEU H H 5 8.290 8.290 7.372 0.918 25478
170 1 8 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.117 -0.197 25478
171 1 8 . 1 1 6 6 ARG H H 6 7.990 7.990 7.715 0.275 25478
172 1 8 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.492 -0.042 25478
173 1 8 . 1 1 7 7 HIS H H 7 7.720 7.720 7.774 -0.054 25478
174 1 8 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.231 -0.051 25478
175 1 8 . 1 1 8 8 ALA H H 8 8.040 8.040 7.975 0.065 25478
176 1 8 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.318 -0.008 25478
177 1 8 . 1 1 9 9 PHE H H 9 8.170 8.170 7.431 0.739 25478
178 1 8 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.659 0.051 25478
179 1 8 . 1 1 13 13 PHE H H 13 7.630 7.630 7.587 0.043 25478
180 1 8 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.419 0.031 25478
181 1 8 . 1 1 15 15 SER HA H 15 4.430 4.430 4.423 0.007 25478
182 1 8 . 1 1 15 15 SER H H 15 8.240 8.240 8.425 -0.185 25478
183 1 8 . 1 1 16 16 SER HA H 16 4.400 4.400 4.358 0.042 25478
184 1 8 . 1 1 16 16 SER H H 16 8.160 8.160 7.807 0.353 25478
185 1 9 . 1 1 2 2 SER HA H 2 4.370 4.370 4.519 -0.149 25478
186 1 9 . 1 1 2 2 SER H H 2 8.720 8.720 8.650 0.070 25478
187 1 9 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.302 -0.002 25478
188 1 9 . 1 1 3 3 LYS H H 3 8.100 8.100 8.146 -0.046 25478
189 1 9 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.506 0.174 25478
190 1 9 . 1 1 4 4 ASP H H 4 8.190 8.190 8.456 -0.266 25478
191 1 9 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.228 -0.158 25478
192 1 9 . 1 1 5 5 LEU H H 5 8.290 8.290 7.645 0.645 25478
193 1 9 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.018 -0.098 25478
194 1 9 . 1 1 6 6 ARG H H 6 7.990 7.990 7.908 0.082 25478
195 1 9 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.505 -0.055 25478
196 1 9 . 1 1 7 7 HIS H H 7 7.720 7.720 7.808 -0.088 25478
197 1 9 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.248 -0.068 25478
198 1 9 . 1 1 8 8 ALA H H 8 8.040 8.040 8.025 0.015 25478
199 1 9 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.300 0.010 25478
200 1 9 . 1 1 9 9 PHE H H 9 8.170 8.170 7.440 0.730 25478
201 1 9 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.666 0.044 25478
202 1 9 . 1 1 13 13 PHE H H 13 7.630 7.630 7.893 -0.263 25478
203 1 9 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.392 0.058 25478
204 1 9 . 1 1 15 15 SER HA H 15 4.430 4.430 4.414 0.016 25478
205 1 9 . 1 1 15 15 SER H H 15 8.240 8.240 8.437 -0.197 25478
206 1 9 . 1 1 16 16 SER HA H 16 4.400 4.400 4.313 0.087 25478
207 1 9 . 1 1 16 16 SER H H 16 8.160 8.160 7.952 0.208 25478
208 1 10 . 1 1 2 2 SER HA H 2 4.370 4.370 4.362 0.008 25478
209 1 10 . 1 1 2 2 SER H H 2 8.720 8.720 8.467 0.253 25478
210 1 10 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.254 0.046 25478
211 1 10 . 1 1 3 3 LYS H H 3 8.100 8.100 8.321 -0.221 25478
212 1 10 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.577 0.103 25478
213 1 10 . 1 1 4 4 ASP H H 4 8.190 8.190 8.454 -0.264 25478
214 1 10 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.248 -0.178 25478
215 1 10 . 1 1 5 5 LEU H H 5 8.290 8.290 7.605 0.685 25478
216 1 10 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.108 -0.188 25478
217 1 10 . 1 1 6 6 ARG H H 6 7.990 7.990 7.698 0.292 25478
218 1 10 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.515 -0.065 25478
219 1 10 . 1 1 7 7 HIS H H 7 7.720 7.720 7.856 -0.136 25478
220 1 10 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.251 -0.071 25478
221 1 10 . 1 1 8 8 ALA H H 8 8.040 8.040 7.994 0.046 25478
222 1 10 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.281 0.029 25478
223 1 10 . 1 1 9 9 PHE H H 9 8.170 8.170 7.459 0.711 25478
224 1 10 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.694 0.016 25478
225 1 10 . 1 1 13 13 PHE H H 13 7.630 7.630 7.606 0.024 25478
226 1 10 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.385 0.065 25478
227 1 10 . 1 1 15 15 SER HA H 15 4.430 4.430 4.409 0.021 25478
228 1 10 . 1 1 15 15 SER H H 15 8.240 8.240 8.809 -0.569 25478
229 1 10 . 1 1 16 16 SER HA H 16 4.400 4.400 4.420 -0.020 25478
230 1 10 . 1 1 16 16 SER H H 16 8.160 8.160 7.911 0.249 25478
231 1 11 . 1 1 2 2 SER HA H 2 4.370 4.370 4.355 0.015 25478
232 1 11 . 1 1 2 2 SER H H 2 8.720 8.720 8.550 0.170 25478
233 1 11 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.162 0.138 25478
234 1 11 . 1 1 3 3 LYS H H 3 8.100 8.100 8.410 -0.310 25478
235 1 11 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.474 0.206 25478
236 1 11 . 1 1 4 4 ASP H H 4 8.190 8.190 8.197 -0.007 25478
237 1 11 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.267 -0.197 25478
238 1 11 . 1 1 5 5 LEU H H 5 8.290 8.290 7.509 0.781 25478
239 1 11 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.961 -0.041 25478
240 1 11 . 1 1 6 6 ARG H H 6 7.990 7.990 7.778 0.212 25478
241 1 11 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.496 -0.046 25478
242 1 11 . 1 1 7 7 HIS H H 7 7.720 7.720 7.852 -0.132 25478
243 1 11 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.251 -0.071 25478
244 1 11 . 1 1 8 8 ALA H H 8 8.040 8.040 8.115 -0.075 25478
245 1 11 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.266 0.044 25478
246 1 11 . 1 1 9 9 PHE H H 9 8.170 8.170 7.636 0.534 25478
247 1 11 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.694 0.016 25478
248 1 11 . 1 1 13 13 PHE H H 13 7.630 7.630 7.546 0.084 25478
249 1 11 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.344 0.106 25478
250 1 11 . 1 1 15 15 SER HA H 15 4.430 4.430 4.341 0.089 25478
251 1 11 . 1 1 15 15 SER H H 15 8.240 8.240 8.651 -0.411 25478
252 1 11 . 1 1 16 16 SER HA H 16 4.400 4.400 4.498 -0.098 25478
253 1 11 . 1 1 16 16 SER H H 16 8.160 8.160 7.826 0.334 25478
254 1 12 . 1 1 2 2 SER HA H 2 4.370 4.370 4.373 -0.003 25478
255 1 12 . 1 1 2 2 SER H H 2 8.720 8.720 8.557 0.163 25478
256 1 12 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.207 0.093 25478
257 1 12 . 1 1 3 3 LYS H H 3 8.100 8.100 8.323 -0.223 25478
258 1 12 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.567 0.113 25478
259 1 12 . 1 1 4 4 ASP H H 4 8.190 8.190 8.314 -0.124 25478
260 1 12 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.225 -0.155 25478
261 1 12 . 1 1 5 5 LEU H H 5 8.290 8.290 7.520 0.770 25478
262 1 12 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.050 -0.130 25478
263 1 12 . 1 1 6 6 ARG H H 6 7.990 7.990 7.806 0.184 25478
264 1 12 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.505 -0.055 25478
265 1 12 . 1 1 7 7 HIS H H 7 7.720 7.720 7.863 -0.143 25478
266 1 12 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.201 -0.021 25478
267 1 12 . 1 1 8 8 ALA H H 8 8.040 8.040 8.113 -0.073 25478
268 1 12 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.266 0.044 25478
269 1 12 . 1 1 9 9 PHE H H 9 8.170 8.170 7.440 0.730 25478
270 1 12 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.680 0.030 25478
271 1 12 . 1 1 13 13 PHE H H 13 7.630 7.630 8.009 -0.379 25478
272 1 12 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.359 0.091 25478
273 1 12 . 1 1 15 15 SER HA H 15 4.430 4.430 4.321 0.109 25478
274 1 12 . 1 1 15 15 SER H H 15 8.240 8.240 8.543 -0.303 25478
275 1 12 . 1 1 16 16 SER HA H 16 4.400 4.400 4.510 -0.110 25478
276 1 12 . 1 1 16 16 SER H H 16 8.160 8.160 7.766 0.394 25478
277 1 13 . 1 1 2 2 SER HA H 2 4.370 4.370 4.497 -0.127 25478
278 1 13 . 1 1 2 2 SER H H 2 8.720 8.720 8.530 0.190 25478
279 1 13 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.163 0.137 25478
280 1 13 . 1 1 3 3 LYS H H 3 8.100 8.100 8.178 -0.078 25478
281 1 13 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.529 0.151 25478
282 1 13 . 1 1 4 4 ASP H H 4 8.190 8.190 8.216 -0.026 25478
283 1 13 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.268 -0.198 25478
284 1 13 . 1 1 5 5 LEU H H 5 8.290 8.290 7.528 0.762 25478
285 1 13 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.919 0.001 25478
286 1 13 . 1 1 6 6 ARG H H 6 7.990 7.990 7.682 0.308 25478
287 1 13 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.491 -0.041 25478
288 1 13 . 1 1 7 7 HIS H H 7 7.720 7.720 7.819 -0.099 25478
289 1 13 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.253 -0.073 25478
290 1 13 . 1 1 8 8 ALA H H 8 8.040 8.040 8.021 0.019 25478
291 1 13 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.309 0.001 25478
292 1 13 . 1 1 9 9 PHE H H 9 8.170 8.170 7.510 0.660 25478
293 1 13 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.658 0.052 25478
294 1 13 . 1 1 13 13 PHE H H 13 7.630 7.630 7.891 -0.261 25478
295 1 13 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.349 0.101 25478
296 1 13 . 1 1 15 15 SER HA H 15 4.430 4.430 4.359 0.071 25478
297 1 13 . 1 1 15 15 SER H H 15 8.240 8.240 8.219 0.021 25478
298 1 13 . 1 1 16 16 SER HA H 16 4.400 4.400 4.406 -0.006 25478
299 1 13 . 1 1 16 16 SER H H 16 8.160 8.160 7.718 0.442 25478
300 1 14 . 1 1 2 2 SER HA H 2 4.370 4.370 4.269 0.101 25478
301 1 14 . 1 1 2 2 SER H H 2 8.720 8.720 8.442 0.278 25478
302 1 14 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.218 0.082 25478
303 1 14 . 1 1 3 3 LYS H H 3 8.100 8.100 8.317 -0.217 25478
304 1 14 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.538 0.142 25478
305 1 14 . 1 1 4 4 ASP H H 4 8.190 8.190 8.206 -0.016 25478
306 1 14 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.203 -0.133 25478
307 1 14 . 1 1 5 5 LEU H H 5 8.290 8.290 7.531 0.759 25478
308 1 14 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.133 -0.213 25478
309 1 14 . 1 1 6 6 ARG H H 6 7.990 7.990 7.779 0.211 25478
310 1 14 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.497 -0.047 25478
311 1 14 . 1 1 7 7 HIS H H 7 7.720 7.720 7.797 -0.077 25478
312 1 14 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.048 0.132 25478
313 1 14 . 1 1 8 8 ALA H H 8 8.040 8.040 7.996 0.044 25478
314 1 14 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.241 0.069 25478
315 1 14 . 1 1 9 9 PHE H H 9 8.170 8.170 7.432 0.738 25478
316 1 14 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.709 0.001 25478
317 1 14 . 1 1 13 13 PHE H H 13 7.630 7.630 7.580 0.050 25478
318 1 14 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.325 0.125 25478
319 1 14 . 1 1 15 15 SER HA H 15 4.430 4.430 4.330 0.100 25478
320 1 14 . 1 1 15 15 SER H H 15 8.240 8.240 8.442 -0.202 25478
321 1 14 . 1 1 16 16 SER HA H 16 4.400 4.400 4.424 -0.024 25478
322 1 14 . 1 1 16 16 SER H H 16 8.160 8.160 7.760 0.400 25478
323 1 15 . 1 1 2 2 SER HA H 2 4.370 4.370 4.339 0.031 25478
324 1 15 . 1 1 2 2 SER H H 2 8.720 8.720 8.452 0.268 25478
325 1 15 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.246 0.054 25478
326 1 15 . 1 1 3 3 LYS H H 3 8.100 8.100 8.345 -0.245 25478
327 1 15 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.549 0.131 25478
328 1 15 . 1 1 4 4 ASP H H 4 8.190 8.190 8.472 -0.282 25478
329 1 15 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.254 -0.184 25478
330 1 15 . 1 1 5 5 LEU H H 5 8.290 8.290 7.562 0.728 25478
331 1 15 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.906 0.014 25478
332 1 15 . 1 1 6 6 ARG H H 6 7.990 7.990 7.610 0.380 25478
333 1 15 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.488 -0.038 25478
334 1 15 . 1 1 7 7 HIS H H 7 7.720 7.720 7.893 -0.173 25478
335 1 15 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.272 -0.092 25478
336 1 15 . 1 1 8 8 ALA H H 8 8.040 8.040 8.026 0.014 25478
337 1 15 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.328 -0.018 25478
338 1 15 . 1 1 9 9 PHE H H 9 8.170 8.170 7.445 0.725 25478
339 1 15 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.573 0.137 25478
340 1 15 . 1 1 13 13 PHE H H 13 7.630 7.630 7.485 0.145 25478
341 1 15 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.356 0.094 25478
342 1 15 . 1 1 15 15 SER HA H 15 4.430 4.430 4.412 0.018 25478
343 1 15 . 1 1 15 15 SER H H 15 8.240 8.240 8.492 -0.252 25478
344 1 15 . 1 1 16 16 SER HA H 16 4.400 4.400 4.423 -0.023 25478
345 1 15 . 1 1 16 16 SER H H 16 8.160 8.160 7.804 0.356 25478
346 1 16 . 1 1 2 2 SER HA H 2 4.370 4.370 4.442 -0.072 25478
347 1 16 . 1 1 2 2 SER H H 2 8.720 8.720 8.545 0.175 25478
348 1 16 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.190 0.110 25478
349 1 16 . 1 1 3 3 LYS H H 3 8.100 8.100 8.297 -0.197 25478
350 1 16 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.527 0.153 25478
351 1 16 . 1 1 4 4 ASP H H 4 8.190 8.190 8.463 -0.273 25478
352 1 16 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.249 -0.179 25478
353 1 16 . 1 1 5 5 LEU H H 5 8.290 8.290 7.725 0.565 25478
354 1 16 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.112 -0.192 25478
355 1 16 . 1 1 6 6 ARG H H 6 7.990 7.990 7.782 0.208 25478
356 1 16 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.493 -0.043 25478
357 1 16 . 1 1 7 7 HIS H H 7 7.720 7.720 7.872 -0.152 25478
358 1 16 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.231 -0.051 25478
359 1 16 . 1 1 8 8 ALA H H 8 8.040 8.040 8.066 -0.026 25478
360 1 16 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.325 -0.015 25478
361 1 16 . 1 1 9 9 PHE H H 9 8.170 8.170 7.521 0.649 25478
362 1 16 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.672 0.038 25478
363 1 16 . 1 1 13 13 PHE H H 13 7.630 7.630 7.562 0.068 25478
364 1 16 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.383 0.067 25478
365 1 16 . 1 1 15 15 SER HA H 15 4.430 4.430 4.403 0.027 25478
366 1 16 . 1 1 15 15 SER H H 15 8.240 8.240 8.595 -0.355 25478
367 1 16 . 1 1 16 16 SER HA H 16 4.400 4.400 4.467 -0.067 25478
368 1 16 . 1 1 16 16 SER H H 16 8.160 8.160 7.806 0.354 25478
369 1 17 . 1 1 2 2 SER HA H 2 4.370 4.370 4.412 -0.042 25478
370 1 17 . 1 1 2 2 SER H H 2 8.720 8.720 8.532 0.188 25478
371 1 17 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.282 0.018 25478
372 1 17 . 1 1 3 3 LYS H H 3 8.100 8.100 8.196 -0.096 25478
373 1 17 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.487 0.193 25478
374 1 17 . 1 1 4 4 ASP H H 4 8.190 8.190 8.297 -0.107 25478
375 1 17 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.211 -0.141 25478
376 1 17 . 1 1 5 5 LEU H H 5 8.290 8.290 7.613 0.677 25478
377 1 17 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.280 -0.360 25478
378 1 17 . 1 1 6 6 ARG H H 6 7.990 7.990 7.802 0.188 25478
379 1 17 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.510 -0.060 25478
380 1 17 . 1 1 7 7 HIS H H 7 7.720 7.720 7.880 -0.160 25478
381 1 17 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.149 0.031 25478
382 1 17 . 1 1 8 8 ALA H H 8 8.040 8.040 8.047 -0.007 25478
383 1 17 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.319 -0.009 25478
384 1 17 . 1 1 9 9 PHE H H 9 8.170 8.170 7.352 0.818 25478
385 1 17 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.673 0.037 25478
386 1 17 . 1 1 13 13 PHE H H 13 7.630 7.630 8.011 -0.381 25478
387 1 17 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.366 0.084 25478
388 1 17 . 1 1 15 15 SER HA H 15 4.430 4.430 4.253 0.177 25478
389 1 17 . 1 1 15 15 SER H H 15 8.240 8.240 8.389 -0.149 25478
390 1 17 . 1 1 16 16 SER HA H 16 4.400 4.400 4.489 -0.089 25478
391 1 17 . 1 1 16 16 SER H H 16 8.160 8.160 7.858 0.302 25478
392 1 18 . 1 1 2 2 SER HA H 2 4.370 4.370 4.370 0.000 25478
393 1 18 . 1 1 2 2 SER H H 2 8.720 8.720 8.505 0.215 25478
394 1 18 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.162 0.138 25478
395 1 18 . 1 1 3 3 LYS H H 3 8.100 8.100 8.205 -0.105 25478
396 1 18 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.498 0.182 25478
397 1 18 . 1 1 4 4 ASP H H 4 8.190 8.190 8.071 0.119 25478
398 1 18 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.243 -0.173 25478
399 1 18 . 1 1 5 5 LEU H H 5 8.290 8.290 7.515 0.775 25478
400 1 18 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.964 -0.044 25478
401 1 18 . 1 1 6 6 ARG H H 6 7.990 7.990 7.589 0.401 25478
402 1 18 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.510 -0.060 25478
403 1 18 . 1 1 7 7 HIS H H 7 7.720 7.720 7.775 -0.055 25478
404 1 18 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.239 -0.059 25478
405 1 18 . 1 1 8 8 ALA H H 8 8.040 8.040 7.988 0.052 25478
406 1 18 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.324 -0.014 25478
407 1 18 . 1 1 9 9 PHE H H 9 8.170 8.170 7.490 0.680 25478
408 1 18 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.655 0.055 25478
409 1 18 . 1 1 13 13 PHE H H 13 7.630 7.630 7.845 -0.215 25478
410 1 18 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.385 0.065 25478
411 1 18 . 1 1 15 15 SER HA H 15 4.430 4.430 4.306 0.124 25478
412 1 18 . 1 1 15 15 SER H H 15 8.240 8.240 8.446 -0.206 25478
413 1 18 . 1 1 16 16 SER HA H 16 4.400 4.400 4.387 0.013 25478
414 1 18 . 1 1 16 16 SER H H 16 8.160 8.160 7.920 0.240 25478
415 1 19 . 1 1 2 2 SER HA H 2 4.370 4.370 4.474 -0.104 25478
416 1 19 . 1 1 2 2 SER H H 2 8.720 8.720 8.596 0.124 25478
417 1 19 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.111 0.190 25478
418 1 19 . 1 1 3 3 LYS H H 3 8.100 8.100 8.272 -0.172 25478
419 1 19 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.653 0.027 25478
420 1 19 . 1 1 4 4 ASP H H 4 8.190 8.190 8.381 -0.191 25478
421 1 19 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.217 -0.147 25478
422 1 19 . 1 1 5 5 LEU H H 5 8.290 8.290 7.574 0.716 25478
423 1 19 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.885 0.035 25478
424 1 19 . 1 1 6 6 ARG H H 6 7.990 7.990 7.834 0.156 25478
425 1 19 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.501 -0.051 25478
426 1 19 . 1 1 7 7 HIS H H 7 7.720 7.720 7.552 0.168 25478
427 1 19 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.259 -0.079 25478
428 1 19 . 1 1 8 8 ALA H H 8 8.040 8.040 8.044 -0.004 25478
429 1 19 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.290 0.020 25478
430 1 19 . 1 1 9 9 PHE H H 9 8.170 8.170 7.517 0.653 25478
431 1 19 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.795 -0.085 25478
432 1 19 . 1 1 13 13 PHE H H 13 7.630 7.630 7.815 -0.185 25478
433 1 19 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.359 0.091 25478
434 1 19 . 1 1 15 15 SER HA H 15 4.430 4.430 4.397 0.033 25478
435 1 19 . 1 1 15 15 SER H H 15 8.240 8.240 8.585 -0.345 25478
436 1 19 . 1 1 16 16 SER HA H 16 4.400 4.400 4.504 -0.104 25478
437 1 19 . 1 1 16 16 SER H H 16 8.160 8.160 7.961 0.199 25478
438 1 20 . 1 1 2 2 SER HA H 2 4.370 4.370 4.303 0.067 25478
439 1 20 . 1 1 2 2 SER H H 2 8.720 8.720 8.610 0.110 25478
440 1 20 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.236 0.064 25478
441 1 20 . 1 1 3 3 LYS H H 3 8.100 8.100 8.174 -0.074 25478
442 1 20 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.551 0.129 25478
443 1 20 . 1 1 4 4 ASP H H 4 8.190 8.190 8.165 0.025 25478
444 1 20 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.305 -0.235 25478
445 1 20 . 1 1 5 5 LEU H H 5 8.290 8.290 7.529 0.761 25478
446 1 20 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.736 0.184 25478
447 1 20 . 1 1 6 6 ARG H H 6 7.990 7.990 7.783 0.207 25478
448 1 20 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.487 -0.037 25478
449 1 20 . 1 1 7 7 HIS H H 7 7.720 7.720 7.766 -0.046 25478
450 1 20 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.258 -0.078 25478
451 1 20 . 1 1 8 8 ALA H H 8 8.040 8.040 8.046 -0.006 25478
452 1 20 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.275 0.035 25478
453 1 20 . 1 1 9 9 PHE H H 9 8.170 8.170 7.610 0.560 25478
454 1 20 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.636 0.074 25478
455 1 20 . 1 1 13 13 PHE H H 13 7.630 7.630 7.564 0.066 25478
456 1 20 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.358 0.092 25478
457 1 20 . 1 1 15 15 SER HA H 15 4.430 4.430 4.376 0.054 25478
458 1 20 . 1 1 15 15 SER H H 15 8.240 8.240 8.418 -0.178 25478
459 1 20 . 1 1 16 16 SER HA H 16 4.400 4.400 4.427 -0.027 25478
460 1 20 . 1 1 16 16 SER H H 16 8.160 8.160 7.780 0.380 25478
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 25478
2 1 1 "Average Difference" HA 12 0.130 -0.029 0.133 25478
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25478
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25478
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25478
6 1 1 "Average Difference" HN 11 0.382 -0.164 0.361 25478
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25478
8 1 2 "Average Difference" HA 12 0.099 -0.031 0.098 25478
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25478
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25478
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25478
12 1 2 "Average Difference" HN 11 0.388 -0.188 0.355 25478
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25478
14 1 3 "Average Difference" HA 12 0.110 -0.015 0.113 25478
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25478
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25478
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25478
18 1 3 "Average Difference" HN 11 0.373 -0.101 0.376 25478
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25478
20 1 4 "Average Difference" HA 12 0.109 0.035 0.107 25478
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25478
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25478
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25478
24 1 4 "Average Difference" HN 11 0.361 -0.044 0.376 25478
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25478
26 1 5 "Average Difference" HA 12 0.095 0.025 0.096 25478
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25478
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25478
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25478
30 1 5 "Average Difference" HN 11 0.350 -0.179 0.315 25478
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25478
32 1 6 "Average Difference" HA 12 0.092 -0.006 0.096 25478
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25478
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25478
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25478
36 1 6 "Average Difference" HN 11 0.382 -0.099 0.387 25478
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25478
38 1 7 "Average Difference" HA 12 0.097 -0.022 0.099 25478
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25478
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25478
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25478
42 1 7 "Average Difference" HN 11 0.384 -0.157 0.367 25478
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25478
44 1 8 "Average Difference" HA 12 0.097 0.002 0.102 25478
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25478
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25478
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25478
48 1 8 "Average Difference" HN 11 0.388 -0.182 0.360 25478
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25478
50 1 9 "Average Difference" HA 12 0.095 0.012 0.098 25478
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25478
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25478
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25478
54 1 9 "Average Difference" HN 11 0.329 -0.081 0.335 25478
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25478
56 1 10 "Average Difference" HA 12 0.089 0.020 0.091 25478
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25478
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25478
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25478
60 1 10 "Average Difference" HN 11 0.387 -0.097 0.393 25478
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25478
62 1 11 "Average Difference" HA 12 0.108 -0.013 0.112 25478
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25478
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25478
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25478
66 1 11 "Average Difference" HN 11 0.354 -0.107 0.354 25478
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25478
68 1 12 "Average Difference" HA 12 0.092 -0.000 0.096 25478
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25478
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25478
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25478
72 1 12 "Average Difference" HN 11 0.389 -0.090 0.397 25478
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25478
74 1 13 "Average Difference" HA 12 0.101 -0.006 0.105 25478
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25478
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25478
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25478
78 1 13 "Average Difference" HN 11 0.360 -0.176 0.330 25478
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25478
80 1 14 "Average Difference" HA 12 0.112 -0.028 0.114 25478
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25478
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25478
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25478
84 1 14 "Average Difference" HN 11 0.369 -0.179 0.339 25478
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25478
86 1 15 "Average Difference" HA 12 0.088 -0.010 0.092 25478
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25478
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25478
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25478
90 1 15 "Average Difference" HN 11 0.388 -0.151 0.374 25478
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25478
92 1 16 "Average Difference" HA 12 0.102 0.019 0.105 25478
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25478
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25478
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25478
96 1 16 "Average Difference" HN 11 0.331 -0.092 0.334 25478
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25478
98 1 17 "Average Difference" HA 12 0.142 0.013 0.147 25478
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25478
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25478
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25478
102 1 17 "Average Difference" HN 11 0.370 -0.116 0.368 25478
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25478
104 1 18 "Average Difference" HA 12 0.097 -0.019 0.100 25478
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25478
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25478
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25478
108 1 18 "Average Difference" HN 11 0.363 -0.173 0.335 25478
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25478
110 1 19 "Average Difference" HA 12 0.094 0.015 0.097 25478
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25478
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25478
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25478
114 1 19 "Average Difference" HN 11 0.339 -0.102 0.340 25478
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25478
116 1 20 "Average Difference" HA 12 0.108 -0.027 0.110 25478
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25478
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25478
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25478
120 1 20 "Average Difference" HN 11 0.321 -0.164 0.290 25478
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 25478
_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 SER HA H 2 4.370 4.370 4.395 -0.025 25478
2 1 . 1 1 2 2 SER H H 2 8.720 8.720 8.549 0.171 25478
3 1 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.212 0.088 25478
4 1 . 1 1 3 3 LYS H H 3 8.100 8.100 8.280 -0.180 25478
5 1 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.529 0.151 25478
6 1 . 1 1 4 4 ASP H H 4 8.190 8.190 8.325 -0.135 25478
7 1 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.238 -0.168 25478
8 1 . 1 1 5 5 LEU H H 5 8.290 8.290 7.547 0.743 25478
9 1 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.031 -0.111 25478
10 1 . 1 1 6 6 ARG H H 6 7.990 7.990 7.737 0.253 25478
11 1 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.503 -0.053 25478
12 1 . 1 1 7 7 HIS H H 7 7.720 7.720 7.793 -0.073 25478
13 1 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.225 -0.045 25478
14 1 . 1 1 8 8 ALA H H 8 8.040 8.040 8.029 0.011 25478
15 1 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.292 0.018 25478
16 1 . 1 1 9 9 PHE H H 9 8.170 8.170 7.482 0.688 25478
17 1 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.670 0.040 25478
18 1 . 1 1 13 13 PHE H H 13 7.630 7.630 7.736 -0.106 25478
19 1 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.368 0.082 25478
20 1 . 1 1 15 15 SER HA H 15 4.430 4.430 4.359 0.071 25478
21 1 . 1 1 15 15 SER H H 15 8.240 8.240 8.486 -0.246 25478
22 1 . 1 1 16 16 SER HA H 16 4.400 4.400 4.405 -0.005 25478
23 1 . 1 1 16 16 SER H H 16 8.160 8.160 7.831 0.329 25478
stop_
save_