data_25471
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25471
_Entry.PDB_ID 2MZ3
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 25471
_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 4.400 4.400 4.263 0.137 25471
2 1 1 . 1 1 2 2 SER H H 2 8.760 8.760 8.500 0.260 25471
3 1 1 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.328 0.052 25471
4 1 1 . 1 1 3 3 LYS H H 3 8.140 8.140 8.173 -0.033 25471
5 1 1 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.542 0.158 25471
6 1 1 . 1 1 4 4 ASP H H 4 8.210 8.210 8.329 -0.119 25471
7 1 1 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.138 -0.028 25471
8 1 1 . 1 1 5 5 LEU H H 5 8.390 8.390 7.687 0.703 25471
9 1 1 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.284 -0.324 25471
10 1 1 . 1 1 6 6 ARG H H 6 8.050 8.050 7.707 0.343 25471
11 1 1 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.489 0.001 25471
12 1 1 . 1 1 7 7 HIS H H 7 7.790 7.790 8.327 -0.537 25471
13 1 1 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.085 0.075 25471
14 1 1 . 1 1 8 8 ALA H H 8 8.160 8.160 7.684 0.476 25471
15 1 1 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.290 0.020 25471
16 1 1 . 1 1 9 9 PHE H H 9 8.300 8.300 7.732 0.568 25471
17 1 1 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.992 -0.022 25471
18 1 1 . 1 1 10 10 ARG H H 10 8.030 8.030 7.638 0.392 25471
19 1 1 . 1 1 11 11 SER HA H 11 4.300 4.300 4.197 0.103 25471
20 1 1 . 1 1 11 11 SER H H 11 7.820 7.820 7.677 0.143 25471
21 1 1 . 1 1 12 12 MET HA H 12 4.210 4.210 4.334 -0.124 25471
22 1 1 . 1 1 12 12 MET H H 12 7.530 7.530 7.330 0.200 25471
23 1 1 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.711 0.019 25471
24 1 1 . 1 1 13 13 PHE H H 13 7.580 7.580 7.870 -0.290 25471
25 1 2 . 1 1 2 2 SER HA H 2 4.400 4.400 4.380 0.020 25471
26 1 2 . 1 1 2 2 SER H H 2 8.760 8.760 8.417 0.343 25471
27 1 2 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.360 0.020 25471
28 1 2 . 1 1 3 3 LYS H H 3 8.140 8.140 8.137 0.003 25471
29 1 2 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.554 0.146 25471
30 1 2 . 1 1 4 4 ASP H H 4 8.210 8.210 8.588 -0.378 25471
31 1 2 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.099 0.011 25471
32 1 2 . 1 1 5 5 LEU H H 5 8.390 8.390 7.732 0.658 25471
33 1 2 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.246 -0.286 25471
34 1 2 . 1 1 6 6 ARG H H 6 8.050 8.050 7.641 0.409 25471
35 1 2 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.495 -0.005 25471
36 1 2 . 1 1 7 7 HIS H H 7 7.790 7.790 8.287 -0.497 25471
37 1 2 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.170 -0.010 25471
38 1 2 . 1 1 8 8 ALA H H 8 8.160 8.160 7.554 0.606 25471
39 1 2 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.308 0.002 25471
40 1 2 . 1 1 9 9 PHE H H 9 8.300 8.300 7.506 0.794 25471
41 1 2 . 1 1 10 10 ARG HA H 10 3.970 3.970 4.060 -0.090 25471
42 1 2 . 1 1 10 10 ARG H H 10 8.030 8.030 7.728 0.302 25471
43 1 2 . 1 1 11 11 SER HA H 11 4.300 4.300 4.303 -0.003 25471
44 1 2 . 1 1 11 11 SER H H 11 7.820 7.820 7.997 -0.177 25471
45 1 2 . 1 1 12 12 MET HA H 12 4.210 4.210 4.373 -0.163 25471
46 1 2 . 1 1 12 12 MET H H 12 7.530 7.530 7.367 0.163 25471
47 1 2 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.611 0.119 25471
48 1 2 . 1 1 13 13 PHE H H 13 7.580 7.580 7.641 -0.061 25471
49 1 3 . 1 1 2 2 SER HA H 2 4.400 4.400 4.263 0.137 25471
50 1 3 . 1 1 2 2 SER H H 2 8.760 8.760 8.674 0.086 25471
51 1 3 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.228 0.152 25471
52 1 3 . 1 1 3 3 LYS H H 3 8.140 8.140 8.012 0.128 25471
53 1 3 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.098 0.602 25471
54 1 3 . 1 1 4 4 ASP H H 4 8.210 8.210 8.225 -0.015 25471
55 1 3 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.096 0.014 25471
56 1 3 . 1 1 5 5 LEU H H 5 8.390 8.390 7.601 0.789 25471
57 1 3 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.171 -0.211 25471
58 1 3 . 1 1 6 6 ARG H H 6 8.050 8.050 7.485 0.565 25471
59 1 3 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.476 0.014 25471
60 1 3 . 1 1 7 7 HIS H H 7 7.790 7.790 8.075 -0.285 25471
61 1 3 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.153 0.007 25471
62 1 3 . 1 1 8 8 ALA H H 8 8.160 8.160 7.664 0.496 25471
63 1 3 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.216 0.094 25471
64 1 3 . 1 1 9 9 PHE H H 9 8.300 8.300 7.600 0.700 25471
65 1 3 . 1 1 10 10 ARG HA H 10 3.970 3.970 4.086 -0.116 25471
66 1 3 . 1 1 10 10 ARG H H 10 8.030 8.030 7.706 0.324 25471
67 1 3 . 1 1 11 11 SER HA H 11 4.300 4.300 4.272 0.028 25471
68 1 3 . 1 1 11 11 SER H H 11 7.820 7.820 7.914 -0.094 25471
69 1 3 . 1 1 12 12 MET HA H 12 4.210 4.210 4.326 -0.116 25471
70 1 3 . 1 1 12 12 MET H H 12 7.530 7.530 7.360 0.170 25471
71 1 3 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.614 0.116 25471
72 1 3 . 1 1 13 13 PHE H H 13 7.580 7.580 7.552 0.028 25471
73 1 4 . 1 1 2 2 SER HA H 2 4.400 4.400 4.357 0.043 25471
74 1 4 . 1 1 2 2 SER H H 2 8.760 8.760 8.529 0.231 25471
75 1 4 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.278 0.102 25471
76 1 4 . 1 1 3 3 LYS H H 3 8.140 8.140 7.956 0.184 25471
77 1 4 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.523 0.177 25471
78 1 4 . 1 1 4 4 ASP H H 4 8.210 8.210 8.563 -0.353 25471
79 1 4 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.124 -0.014 25471
80 1 4 . 1 1 5 5 LEU H H 5 8.390 8.390 7.334 1.056 25471
81 1 4 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.147 -0.187 25471
82 1 4 . 1 1 6 6 ARG H H 6 8.050 8.050 7.532 0.518 25471
83 1 4 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.484 0.006 25471
84 1 4 . 1 1 7 7 HIS H H 7 7.790 7.790 8.188 -0.398 25471
85 1 4 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.140 0.020 25471
86 1 4 . 1 1 8 8 ALA H H 8 8.160 8.160 7.480 0.680 25471
87 1 4 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.146 0.164 25471
88 1 4 . 1 1 9 9 PHE H H 9 8.300 8.300 7.562 0.738 25471
89 1 4 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.871 0.099 25471
90 1 4 . 1 1 10 10 ARG H H 10 8.030 8.030 7.542 0.488 25471
91 1 4 . 1 1 11 11 SER HA H 11 4.300 4.300 4.209 0.091 25471
92 1 4 . 1 1 11 11 SER H H 11 7.820 7.820 7.798 0.022 25471
93 1 4 . 1 1 12 12 MET HA H 12 4.210 4.210 4.236 -0.026 25471
94 1 4 . 1 1 12 12 MET H H 12 7.530 7.530 7.088 0.442 25471
95 1 4 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.573 0.157 25471
96 1 4 . 1 1 13 13 PHE H H 13 7.580 7.580 7.304 0.276 25471
97 1 5 . 1 1 2 2 SER HA H 2 4.400 4.400 4.396 0.004 25471
98 1 5 . 1 1 2 2 SER H H 2 8.760 8.760 8.398 0.362 25471
99 1 5 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.346 0.034 25471
100 1 5 . 1 1 3 3 LYS H H 3 8.140 8.140 8.015 0.125 25471
101 1 5 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.669 0.031 25471
102 1 5 . 1 1 4 4 ASP H H 4 8.210 8.210 8.520 -0.310 25471
103 1 5 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.112 -0.002 25471
104 1 5 . 1 1 5 5 LEU H H 5 8.390 8.390 7.706 0.684 25471
105 1 5 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.239 -0.279 25471
106 1 5 . 1 1 6 6 ARG H H 6 8.050 8.050 7.650 0.400 25471
107 1 5 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.476 0.014 25471
108 1 5 . 1 1 7 7 HIS H H 7 7.790 7.790 8.293 -0.503 25471
109 1 5 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.178 -0.018 25471
110 1 5 . 1 1 8 8 ALA H H 8 8.160 8.160 7.590 0.570 25471
111 1 5 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.295 0.015 25471
112 1 5 . 1 1 9 9 PHE H H 9 8.300 8.300 7.553 0.747 25471
113 1 5 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.980 -0.010 25471
114 1 5 . 1 1 10 10 ARG H H 10 8.030 8.030 7.597 0.433 25471
115 1 5 . 1 1 11 11 SER HA H 11 4.300 4.300 4.277 0.023 25471
116 1 5 . 1 1 11 11 SER H H 11 7.820 7.820 7.721 0.099 25471
117 1 5 . 1 1 12 12 MET HA H 12 4.210 4.210 4.331 -0.121 25471
118 1 5 . 1 1 12 12 MET H H 12 7.530 7.530 7.390 0.140 25471
119 1 5 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.655 0.075 25471
120 1 5 . 1 1 13 13 PHE H H 13 7.580 7.580 7.599 -0.019 25471
121 1 6 . 1 1 2 2 SER HA H 2 4.400 4.400 4.404 -0.004 25471
122 1 6 . 1 1 2 2 SER H H 2 8.760 8.760 8.542 0.218 25471
123 1 6 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.316 0.064 25471
124 1 6 . 1 1 3 3 LYS H H 3 8.140 8.140 7.997 0.143 25471
125 1 6 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.572 0.128 25471
126 1 6 . 1 1 4 4 ASP H H 4 8.210 8.210 8.463 -0.253 25471
127 1 6 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.100 0.010 25471
128 1 6 . 1 1 5 5 LEU H H 5 8.390 8.390 7.640 0.750 25471
129 1 6 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.116 -0.156 25471
130 1 6 . 1 1 6 6 ARG H H 6 8.050 8.050 7.601 0.449 25471
131 1 6 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.485 0.005 25471
132 1 6 . 1 1 7 7 HIS H H 7 7.790 7.790 8.278 -0.488 25471
133 1 6 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.192 -0.032 25471
134 1 6 . 1 1 8 8 ALA H H 8 8.160 8.160 7.642 0.518 25471
135 1 6 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.188 0.122 25471
136 1 6 . 1 1 9 9 PHE H H 9 8.300 8.300 7.666 0.634 25471
137 1 6 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.782 0.188 25471
138 1 6 . 1 1 10 10 ARG H H 10 8.030 8.030 7.656 0.374 25471
139 1 6 . 1 1 11 11 SER HA H 11 4.300 4.300 4.233 0.067 25471
140 1 6 . 1 1 11 11 SER H H 11 7.820 7.820 8.000 -0.180 25471
141 1 6 . 1 1 12 12 MET HA H 12 4.210 4.210 4.218 -0.008 25471
142 1 6 . 1 1 12 12 MET H H 12 7.530 7.530 7.214 0.316 25471
143 1 6 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.507 0.223 25471
144 1 6 . 1 1 13 13 PHE H H 13 7.580 7.580 7.487 0.093 25471
145 1 7 . 1 1 2 2 SER HA H 2 4.400 4.400 4.325 0.075 25471
146 1 7 . 1 1 2 2 SER H H 2 8.760 8.760 8.641 0.119 25471
147 1 7 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.207 0.173 25471
148 1 7 . 1 1 3 3 LYS H H 3 8.140 8.140 8.084 0.056 25471
149 1 7 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.503 0.197 25471
150 1 7 . 1 1 4 4 ASP H H 4 8.210 8.210 7.885 0.325 25471
151 1 7 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.090 0.020 25471
152 1 7 . 1 1 5 5 LEU H H 5 8.390 8.390 7.308 1.082 25471
153 1 7 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.258 -0.298 25471
154 1 7 . 1 1 6 6 ARG H H 6 8.050 8.050 7.606 0.444 25471
155 1 7 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.496 -0.006 25471
156 1 7 . 1 1 7 7 HIS H H 7 7.790 7.790 8.239 -0.449 25471
157 1 7 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.078 0.082 25471
158 1 7 . 1 1 8 8 ALA H H 8 8.160 8.160 7.512 0.648 25471
159 1 7 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.255 0.055 25471
160 1 7 . 1 1 9 9 PHE H H 9 8.300 8.300 7.548 0.752 25471
161 1 7 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.958 0.012 25471
162 1 7 . 1 1 10 10 ARG H H 10 8.030 8.030 7.509 0.521 25471
163 1 7 . 1 1 11 11 SER HA H 11 4.300 4.300 4.214 0.086 25471
164 1 7 . 1 1 11 11 SER H H 11 7.820 7.820 7.669 0.151 25471
165 1 7 . 1 1 12 12 MET HA H 12 4.210 4.210 4.353 -0.143 25471
166 1 7 . 1 1 12 12 MET H H 12 7.530 7.530 7.279 0.251 25471
167 1 7 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.655 0.075 25471
168 1 7 . 1 1 13 13 PHE H H 13 7.580 7.580 7.554 0.026 25471
169 1 8 . 1 1 2 2 SER HA H 2 4.400 4.400 4.366 0.034 25471
170 1 8 . 1 1 2 2 SER H H 2 8.760 8.760 8.692 0.068 25471
171 1 8 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.334 0.046 25471
172 1 8 . 1 1 3 3 LYS H H 3 8.140 8.140 8.160 -0.020 25471
173 1 8 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.438 0.262 25471
174 1 8 . 1 1 4 4 ASP H H 4 8.210 8.210 8.503 -0.293 25471
175 1 8 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.142 -0.032 25471
176 1 8 . 1 1 5 5 LEU H H 5 8.390 8.390 7.642 0.748 25471
177 1 8 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.399 -0.439 25471
178 1 8 . 1 1 6 6 ARG H H 6 8.050 8.050 7.687 0.363 25471
179 1 8 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.506 -0.016 25471
180 1 8 . 1 1 7 7 HIS H H 7 7.790 7.790 8.475 -0.685 25471
181 1 8 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.153 0.007 25471
182 1 8 . 1 1 8 8 ALA H H 8 8.160 8.160 7.646 0.514 25471
183 1 8 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.191 0.119 25471
184 1 8 . 1 1 9 9 PHE H H 9 8.300 8.300 7.656 0.644 25471
185 1 8 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.894 0.076 25471
186 1 8 . 1 1 10 10 ARG H H 10 8.030 8.030 7.687 0.343 25471
187 1 8 . 1 1 11 11 SER HA H 11 4.300 4.300 4.279 0.021 25471
188 1 8 . 1 1 11 11 SER H H 11 7.820 7.820 8.037 -0.217 25471
189 1 8 . 1 1 12 12 MET HA H 12 4.210 4.210 4.380 -0.170 25471
190 1 8 . 1 1 12 12 MET H H 12 7.530 7.530 7.364 0.166 25471
191 1 8 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.689 0.041 25471
192 1 8 . 1 1 13 13 PHE H H 13 7.580 7.580 7.612 -0.032 25471
193 1 9 . 1 1 2 2 SER HA H 2 4.400 4.400 4.424 -0.024 25471
194 1 9 . 1 1 2 2 SER H H 2 8.760 8.760 8.439 0.321 25471
195 1 9 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.265 0.115 25471
196 1 9 . 1 1 3 3 LYS H H 3 8.140 8.140 8.201 -0.061 25471
197 1 9 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.356 0.344 25471
198 1 9 . 1 1 4 4 ASP H H 4 8.210 8.210 8.281 -0.071 25471
199 1 9 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.134 -0.024 25471
200 1 9 . 1 1 5 5 LEU H H 5 8.390 8.390 7.800 0.590 25471
201 1 9 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.202 -0.242 25471
202 1 9 . 1 1 6 6 ARG H H 6 8.050 8.050 7.648 0.402 25471
203 1 9 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.499 -0.009 25471
204 1 9 . 1 1 7 7 HIS H H 7 7.790 7.790 8.458 -0.668 25471
205 1 9 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.170 -0.010 25471
206 1 9 . 1 1 8 8 ALA H H 8 8.160 8.160 7.649 0.511 25471
207 1 9 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.200 0.110 25471
208 1 9 . 1 1 9 9 PHE H H 9 8.300 8.300 7.625 0.675 25471
209 1 9 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.957 0.013 25471
210 1 9 . 1 1 10 10 ARG H H 10 8.030 8.030 7.578 0.452 25471
211 1 9 . 1 1 11 11 SER HA H 11 4.300 4.300 4.287 0.013 25471
212 1 9 . 1 1 11 11 SER H H 11 7.820 7.820 7.863 -0.043 25471
213 1 9 . 1 1 12 12 MET HA H 12 4.210 4.210 4.296 -0.086 25471
214 1 9 . 1 1 12 12 MET H H 12 7.530 7.530 7.320 0.210 25471
215 1 9 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.652 0.078 25471
216 1 9 . 1 1 13 13 PHE H H 13 7.580 7.580 7.580 0.000 25471
217 1 10 . 1 1 2 2 SER HA H 2 4.400 4.400 4.362 0.038 25471
218 1 10 . 1 1 2 2 SER H H 2 8.760 8.760 8.523 0.237 25471
219 1 10 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.261 0.119 25471
220 1 10 . 1 1 3 3 LYS H H 3 8.140 8.140 7.931 0.209 25471
221 1 10 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.565 0.135 25471
222 1 10 . 1 1 4 4 ASP H H 4 8.210 8.210 8.587 -0.377 25471
223 1 10 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.078 0.032 25471
224 1 10 . 1 1 5 5 LEU H H 5 8.390 8.390 7.345 1.045 25471
225 1 10 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.273 -0.313 25471
226 1 10 . 1 1 6 6 ARG H H 6 8.050 8.050 7.646 0.404 25471
227 1 10 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.495 -0.005 25471
228 1 10 . 1 1 7 7 HIS H H 7 7.790 7.790 8.259 -0.469 25471
229 1 10 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.156 0.004 25471
230 1 10 . 1 1 8 8 ALA H H 8 8.160 8.160 7.652 0.508 25471
231 1 10 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.256 0.054 25471
232 1 10 . 1 1 9 9 PHE H H 9 8.300 8.300 7.634 0.666 25471
233 1 10 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.924 0.046 25471
234 1 10 . 1 1 10 10 ARG H H 10 8.030 8.030 7.554 0.476 25471
235 1 10 . 1 1 11 11 SER HA H 11 4.300 4.300 4.263 0.037 25471
236 1 10 . 1 1 11 11 SER H H 11 7.820 7.820 7.841 -0.021 25471
237 1 10 . 1 1 12 12 MET HA H 12 4.210 4.210 4.305 -0.095 25471
238 1 10 . 1 1 12 12 MET H H 12 7.530 7.530 7.429 0.101 25471
239 1 10 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.645 0.085 25471
240 1 10 . 1 1 13 13 PHE H H 13 7.580 7.580 7.636 -0.056 25471
241 1 11 . 1 1 2 2 SER HA H 2 4.400 4.400 4.251 0.149 25471
242 1 11 . 1 1 2 2 SER H H 2 8.760 8.760 8.362 0.398 25471
243 1 11 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.278 0.102 25471
244 1 11 . 1 1 3 3 LYS H H 3 8.140 8.140 8.004 0.136 25471
245 1 11 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.567 0.133 25471
246 1 11 . 1 1 4 4 ASP H H 4 8.210 8.210 8.459 -0.249 25471
247 1 11 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.130 -0.020 25471
248 1 11 . 1 1 5 5 LEU H H 5 8.390 8.390 7.371 1.019 25471
249 1 11 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.176 -0.216 25471
250 1 11 . 1 1 6 6 ARG H H 6 8.050 8.050 7.604 0.446 25471
251 1 11 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.483 0.007 25471
252 1 11 . 1 1 7 7 HIS H H 7 7.790 7.790 8.236 -0.446 25471
253 1 11 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.178 -0.018 25471
254 1 11 . 1 1 8 8 ALA H H 8 8.160 8.160 7.668 0.492 25471
255 1 11 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.187 0.123 25471
256 1 11 . 1 1 9 9 PHE H H 9 8.300 8.300 7.696 0.604 25471
257 1 11 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.792 0.178 25471
258 1 11 . 1 1 10 10 ARG H H 10 8.030 8.030 7.546 0.484 25471
259 1 11 . 1 1 11 11 SER HA H 11 4.300 4.300 4.286 0.014 25471
260 1 11 . 1 1 11 11 SER H H 11 7.820 7.820 8.072 -0.252 25471
261 1 11 . 1 1 12 12 MET HA H 12 4.210 4.210 4.213 -0.003 25471
262 1 11 . 1 1 12 12 MET H H 12 7.530 7.530 7.256 0.274 25471
263 1 11 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.586 0.144 25471
264 1 11 . 1 1 13 13 PHE H H 13 7.580 7.580 7.387 0.193 25471
265 1 12 . 1 1 2 2 SER HA H 2 4.400 4.400 4.313 0.087 25471
266 1 12 . 1 1 2 2 SER H H 2 8.760 8.760 8.652 0.108 25471
267 1 12 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.138 0.242 25471
268 1 12 . 1 1 3 3 LYS H H 3 8.140 8.140 8.037 0.103 25471
269 1 12 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.075 0.625 25471
270 1 12 . 1 1 4 4 ASP H H 4 8.210 8.210 7.508 0.702 25471
271 1 12 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.036 0.074 25471
272 1 12 . 1 1 5 5 LEU H H 5 8.390 8.390 7.230 1.160 25471
273 1 12 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.200 -0.240 25471
274 1 12 . 1 1 6 6 ARG H H 6 8.050 8.050 7.523 0.527 25471
275 1 12 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.437 0.053 25471
276 1 12 . 1 1 7 7 HIS H H 7 7.790 7.790 8.090 -0.300 25471
277 1 12 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.180 -0.020 25471
278 1 12 . 1 1 8 8 ALA H H 8 8.160 8.160 7.632 0.528 25471
279 1 12 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.198 0.112 25471
280 1 12 . 1 1 9 9 PHE H H 9 8.300 8.300 7.704 0.596 25471
281 1 12 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.891 0.079 25471
282 1 12 . 1 1 10 10 ARG H H 10 8.030 8.030 7.739 0.291 25471
283 1 12 . 1 1 11 11 SER HA H 11 4.300 4.300 4.326 -0.026 25471
284 1 12 . 1 1 11 11 SER H H 11 7.820 7.820 8.020 -0.200 25471
285 1 12 . 1 1 12 12 MET HA H 12 4.210 4.210 4.329 -0.119 25471
286 1 12 . 1 1 12 12 MET H H 12 7.530 7.530 7.387 0.143 25471
287 1 12 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.696 0.034 25471
288 1 12 . 1 1 13 13 PHE H H 13 7.580 7.580 7.788 -0.208 25471
289 1 13 . 1 1 2 2 SER HA H 2 4.400 4.400 4.382 0.018 25471
290 1 13 . 1 1 2 2 SER H H 2 8.760 8.760 8.643 0.117 25471
291 1 13 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.205 0.175 25471
292 1 13 . 1 1 3 3 LYS H H 3 8.140 8.140 8.186 -0.046 25471
293 1 13 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.525 0.175 25471
294 1 13 . 1 1 4 4 ASP H H 4 8.210 8.210 7.806 0.404 25471
295 1 13 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.069 0.041 25471
296 1 13 . 1 1 5 5 LEU H H 5 8.390 8.390 7.423 0.967 25471
297 1 13 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.212 -0.252 25471
298 1 13 . 1 1 6 6 ARG H H 6 8.050 8.050 7.677 0.373 25471
299 1 13 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.485 0.005 25471
300 1 13 . 1 1 7 7 HIS H H 7 7.790 7.790 8.275 -0.485 25471
301 1 13 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.083 0.077 25471
302 1 13 . 1 1 8 8 ALA H H 8 8.160 8.160 7.582 0.578 25471
303 1 13 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.188 0.122 25471
304 1 13 . 1 1 9 9 PHE H H 9 8.300 8.300 7.627 0.673 25471
305 1 13 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.934 0.036 25471
306 1 13 . 1 1 10 10 ARG H H 10 8.030 8.030 7.734 0.296 25471
307 1 13 . 1 1 11 11 SER HA H 11 4.300 4.300 4.229 0.071 25471
308 1 13 . 1 1 11 11 SER H H 11 7.820 7.820 7.987 -0.167 25471
309 1 13 . 1 1 12 12 MET HA H 12 4.210 4.210 4.254 -0.044 25471
310 1 13 . 1 1 12 12 MET H H 12 7.530 7.530 7.255 0.275 25471
311 1 13 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.583 0.147 25471
312 1 13 . 1 1 13 13 PHE H H 13 7.580 7.580 7.578 0.002 25471
313 1 14 . 1 1 2 2 SER HA H 2 4.400 4.400 4.521 -0.121 25471
314 1 14 . 1 1 2 2 SER H H 2 8.760 8.760 8.715 0.045 25471
315 1 14 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.249 0.131 25471
316 1 14 . 1 1 3 3 LYS H H 3 8.140 8.140 8.186 -0.046 25471
317 1 14 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.547 0.153 25471
318 1 14 . 1 1 4 4 ASP H H 4 8.210 8.210 8.564 -0.354 25471
319 1 14 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.126 -0.016 25471
320 1 14 . 1 1 5 5 LEU H H 5 8.390 8.390 7.290 1.100 25471
321 1 14 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.182 -0.222 25471
322 1 14 . 1 1 6 6 ARG H H 6 8.050 8.050 7.670 0.381 25471
323 1 14 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.496 -0.006 25471
324 1 14 . 1 1 7 7 HIS H H 7 7.790 7.790 8.249 -0.459 25471
325 1 14 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.217 -0.057 25471
326 1 14 . 1 1 8 8 ALA H H 8 8.160 8.160 7.665 0.495 25471
327 1 14 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.237 0.073 25471
328 1 14 . 1 1 9 9 PHE H H 9 8.300 8.300 7.661 0.639 25471
329 1 14 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.988 -0.018 25471
330 1 14 . 1 1 10 10 ARG H H 10 8.030 8.030 7.623 0.407 25471
331 1 14 . 1 1 11 11 SER HA H 11 4.300 4.300 4.265 0.035 25471
332 1 14 . 1 1 11 11 SER H H 11 7.820 7.820 7.869 -0.049 25471
333 1 14 . 1 1 12 12 MET HA H 12 4.210 4.210 4.263 -0.053 25471
334 1 14 . 1 1 12 12 MET H H 12 7.530 7.530 7.305 0.225 25471
335 1 14 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.632 0.098 25471
336 1 14 . 1 1 13 13 PHE H H 13 7.580 7.580 7.636 -0.056 25471
337 1 15 . 1 1 2 2 SER HA H 2 4.400 4.400 4.394 0.006 25471
338 1 15 . 1 1 2 2 SER H H 2 8.760 8.760 8.391 0.369 25471
339 1 15 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.297 0.083 25471
340 1 15 . 1 1 3 3 LYS H H 3 8.140 8.140 8.073 0.067 25471
341 1 15 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.597 0.103 25471
342 1 15 . 1 1 4 4 ASP H H 4 8.210 8.210 8.517 -0.307 25471
343 1 15 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.138 -0.028 25471
344 1 15 . 1 1 5 5 LEU H H 5 8.390 8.390 7.371 1.019 25471
345 1 15 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.353 -0.393 25471
346 1 15 . 1 1 6 6 ARG H H 6 8.050 8.050 7.659 0.391 25471
347 1 15 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.503 -0.013 25471
348 1 15 . 1 1 7 7 HIS H H 7 7.790 7.790 8.279 -0.489 25471
349 1 15 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.077 0.083 25471
350 1 15 . 1 1 8 8 ALA H H 8 8.160 8.160 7.655 0.505 25471
351 1 15 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.165 0.145 25471
352 1 15 . 1 1 9 9 PHE H H 9 8.300 8.300 7.652 0.648 25471
353 1 15 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.971 -0.001 25471
354 1 15 . 1 1 10 10 ARG H H 10 8.030 8.030 7.640 0.390 25471
355 1 15 . 1 1 11 11 SER HA H 11 4.300 4.300 4.238 0.062 25471
356 1 15 . 1 1 11 11 SER H H 11 7.820 7.820 7.908 -0.088 25471
357 1 15 . 1 1 12 12 MET HA H 12 4.210 4.210 4.307 -0.097 25471
358 1 15 . 1 1 12 12 MET H H 12 7.530 7.530 7.303 0.227 25471
359 1 15 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.660 0.070 25471
360 1 15 . 1 1 13 13 PHE H H 13 7.580 7.580 7.489 0.091 25471
361 1 16 . 1 1 2 2 SER HA H 2 4.400 4.400 4.238 0.162 25471
362 1 16 . 1 1 2 2 SER H H 2 8.760 8.760 8.463 0.297 25471
363 1 16 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.150 0.230 25471
364 1 16 . 1 1 3 3 LYS H H 3 8.140 8.140 8.087 0.053 25471
365 1 16 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.337 0.363 25471
366 1 16 . 1 1 4 4 ASP H H 4 8.210 8.210 8.320 -0.110 25471
367 1 16 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.073 0.037 25471
368 1 16 . 1 1 5 5 LEU H H 5 8.390 8.390 7.536 0.854 25471
369 1 16 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.084 -0.124 25471
370 1 16 . 1 1 6 6 ARG H H 6 8.050 8.050 7.507 0.543 25471
371 1 16 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.475 0.015 25471
372 1 16 . 1 1 7 7 HIS H H 7 7.790 7.790 8.041 -0.251 25471
373 1 16 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.190 -0.030 25471
374 1 16 . 1 1 8 8 ALA H H 8 8.160 8.160 7.591 0.569 25471
375 1 16 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.266 0.044 25471
376 1 16 . 1 1 9 9 PHE H H 9 8.300 8.300 7.594 0.706 25471
377 1 16 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.908 0.062 25471
378 1 16 . 1 1 10 10 ARG H H 10 8.030 8.030 7.640 0.390 25471
379 1 16 . 1 1 11 11 SER HA H 11 4.300 4.300 4.251 0.049 25471
380 1 16 . 1 1 11 11 SER H H 11 7.820 7.820 7.810 0.010 25471
381 1 16 . 1 1 12 12 MET HA H 12 4.210 4.210 4.343 -0.133 25471
382 1 16 . 1 1 12 12 MET H H 12 7.530 7.530 7.260 0.270 25471
383 1 16 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.535 0.195 25471
384 1 16 . 1 1 13 13 PHE H H 13 7.580 7.580 7.530 0.050 25471
385 1 17 . 1 1 2 2 SER HA H 2 4.400 4.400 4.447 -0.047 25471
386 1 17 . 1 1 2 2 SER H H 2 8.760 8.760 8.330 0.430 25471
387 1 17 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.253 0.127 25471
388 1 17 . 1 1 3 3 LYS H H 3 8.140 8.140 8.236 -0.096 25471
389 1 17 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.518 0.182 25471
390 1 17 . 1 1 4 4 ASP H H 4 8.210 8.210 8.680 -0.470 25471
391 1 17 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.122 -0.012 25471
392 1 17 . 1 1 5 5 LEU H H 5 8.390 8.390 7.289 1.101 25471
393 1 17 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.093 -0.133 25471
394 1 17 . 1 1 6 6 ARG H H 6 8.050 8.050 7.650 0.400 25471
395 1 17 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.459 0.031 25471
396 1 17 . 1 1 7 7 HIS H H 7 7.790 7.790 8.235 -0.445 25471
397 1 17 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.052 0.108 25471
398 1 17 . 1 1 8 8 ALA H H 8 8.160 8.160 7.578 0.582 25471
399 1 17 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.190 0.120 25471
400 1 17 . 1 1 9 9 PHE H H 9 8.300 8.300 7.586 0.714 25471
401 1 17 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.996 -0.026 25471
402 1 17 . 1 1 10 10 ARG H H 10 8.030 8.030 7.669 0.361 25471
403 1 17 . 1 1 11 11 SER HA H 11 4.300 4.300 4.231 0.069 25471
404 1 17 . 1 1 11 11 SER H H 11 7.820 7.820 7.958 -0.138 25471
405 1 17 . 1 1 12 12 MET HA H 12 4.210 4.210 4.234 -0.024 25471
406 1 17 . 1 1 12 12 MET H H 12 7.530 7.530 7.224 0.306 25471
407 1 17 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.624 0.106 25471
408 1 17 . 1 1 13 13 PHE H H 13 7.580 7.580 7.575 0.005 25471
409 1 18 . 1 1 2 2 SER HA H 2 4.400 4.400 4.379 0.021 25471
410 1 18 . 1 1 2 2 SER H H 2 8.760 8.760 8.341 0.419 25471
411 1 18 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.277 0.103 25471
412 1 18 . 1 1 3 3 LYS H H 3 8.140 8.140 8.243 -0.103 25471
413 1 18 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.296 0.404 25471
414 1 18 . 1 1 4 4 ASP H H 4 8.210 8.210 8.421 -0.211 25471
415 1 18 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.153 -0.043 25471
416 1 18 . 1 1 5 5 LEU H H 5 8.390 8.390 7.791 0.599 25471
417 1 18 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.086 -0.126 25471
418 1 18 . 1 1 6 6 ARG H H 6 8.050 8.050 7.678 0.372 25471
419 1 18 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.477 0.013 25471
420 1 18 . 1 1 7 7 HIS H H 7 7.790 7.790 8.460 -0.670 25471
421 1 18 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.218 -0.058 25471
422 1 18 . 1 1 8 8 ALA H H 8 8.160 8.160 7.744 0.416 25471
423 1 18 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.284 0.026 25471
424 1 18 . 1 1 9 9 PHE H H 9 8.300 8.300 7.788 0.512 25471
425 1 18 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.860 0.110 25471
426 1 18 . 1 1 10 10 ARG H H 10 8.030 8.030 7.634 0.396 25471
427 1 18 . 1 1 11 11 SER HA H 11 4.300 4.300 4.311 -0.011 25471
428 1 18 . 1 1 11 11 SER H H 11 7.820 7.820 7.872 -0.052 25471
429 1 18 . 1 1 12 12 MET HA H 12 4.210 4.210 4.352 -0.142 25471
430 1 18 . 1 1 12 12 MET H H 12 7.530 7.530 7.262 0.268 25471
431 1 18 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.602 0.128 25471
432 1 18 . 1 1 13 13 PHE H H 13 7.580 7.580 7.436 0.144 25471
433 1 19 . 1 1 2 2 SER HA H 2 4.400 4.400 4.515 -0.115 25471
434 1 19 . 1 1 2 2 SER H H 2 8.760 8.760 8.472 0.288 25471
435 1 19 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.323 0.057 25471
436 1 19 . 1 1 3 3 LYS H H 3 8.140 8.140 8.138 0.002 25471
437 1 19 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.298 0.402 25471
438 1 19 . 1 1 4 4 ASP H H 4 8.210 8.210 8.565 -0.355 25471
439 1 19 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.119 -0.009 25471
440 1 19 . 1 1 5 5 LEU H H 5 8.390 8.390 7.354 1.036 25471
441 1 19 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.176 -0.216 25471
442 1 19 . 1 1 6 6 ARG H H 6 8.050 8.050 7.672 0.378 25471
443 1 19 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.492 -0.002 25471
444 1 19 . 1 1 7 7 HIS H H 7 7.790 7.790 8.451 -0.661 25471
445 1 19 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.198 -0.038 25471
446 1 19 . 1 1 8 8 ALA H H 8 8.160 8.160 7.655 0.505 25471
447 1 19 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.200 0.110 25471
448 1 19 . 1 1 9 9 PHE H H 9 8.300 8.300 7.691 0.609 25471
449 1 19 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.858 0.112 25471
450 1 19 . 1 1 10 10 ARG H H 10 8.030 8.030 7.721 0.309 25471
451 1 19 . 1 1 11 11 SER HA H 11 4.300 4.300 4.292 0.008 25471
452 1 19 . 1 1 11 11 SER H H 11 7.820 7.820 8.052 -0.232 25471
453 1 19 . 1 1 12 12 MET HA H 12 4.210 4.210 4.297 -0.087 25471
454 1 19 . 1 1 12 12 MET H H 12 7.530 7.530 7.478 0.052 25471
455 1 19 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.619 0.111 25471
456 1 19 . 1 1 13 13 PHE H H 13 7.580 7.580 7.492 0.088 25471
457 1 20 . 1 1 2 2 SER HA H 2 4.400 4.400 4.408 -0.008 25471
458 1 20 . 1 1 2 2 SER H H 2 8.760 8.760 8.389 0.371 25471
459 1 20 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.330 0.050 25471
460 1 20 . 1 1 3 3 LYS H H 3 8.140 8.140 8.040 0.100 25471
461 1 20 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.262 0.438 25471
462 1 20 . 1 1 4 4 ASP H H 4 8.210 8.210 8.501 -0.291 25471
463 1 20 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.115 -0.005 25471
464 1 20 . 1 1 5 5 LEU H H 5 8.390 8.390 7.808 0.582 25471
465 1 20 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.337 -0.377 25471
466 1 20 . 1 1 6 6 ARG H H 6 8.050 8.050 7.738 0.312 25471
467 1 20 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.479 0.011 25471
468 1 20 . 1 1 7 7 HIS H H 7 7.790 7.790 8.464 -0.674 25471
469 1 20 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.190 -0.030 25471
470 1 20 . 1 1 8 8 ALA H H 8 8.160 8.160 7.706 0.454 25471
471 1 20 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.233 0.077 25471
472 1 20 . 1 1 9 9 PHE H H 9 8.300 8.300 7.839 0.461 25471
473 1 20 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.911 0.059 25471
474 1 20 . 1 1 10 10 ARG H H 10 8.030 8.030 7.656 0.374 25471
475 1 20 . 1 1 11 11 SER HA H 11 4.300 4.300 4.341 -0.041 25471
476 1 20 . 1 1 11 11 SER H H 11 7.820 7.820 7.907 -0.087 25471
477 1 20 . 1 1 12 12 MET HA H 12 4.210 4.210 4.314 -0.104 25471
478 1 20 . 1 1 12 12 MET H H 12 7.530 7.530 7.389 0.141 25471
479 1 20 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.623 0.107 25471
480 1 20 . 1 1 13 13 PHE H H 13 7.580 7.580 7.413 0.167 25471
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 25471
2 1 1 "Average Difference" HA 12 0.124 -0.006 0.130 25471
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25471
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25471
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25471
6 1 1 "Average Difference" HN 12 0.390 -0.175 0.364 25471
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25471
8 1 2 "Average Difference" HA 12 0.113 0.020 0.116 25471
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25471
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25471
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25471
12 1 2 "Average Difference" HN 12 0.434 -0.180 0.412 25471
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25471
14 1 3 "Average Difference" HA 12 0.204 -0.060 0.204 25471
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25471
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25471
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25471
18 1 3 "Average Difference" HN 12 0.401 -0.241 0.334 25471
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25471
20 1 4 "Average Difference" HA 12 0.112 -0.053 0.103 25471
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25471
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25471
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25471
24 1 4 "Average Difference" HN 12 0.522 -0.324 0.428 25471
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25471
26 1 5 "Average Difference" HA 12 0.092 0.019 0.094 25471
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25471
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25471
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25471
30 1 5 "Average Difference" HN 12 0.431 -0.227 0.382 25471
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25471
32 1 6 "Average Difference" HA 12 0.112 -0.051 0.104 25471
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25471
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25471
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25471
36 1 6 "Average Difference" HN 12 0.417 -0.215 0.373 25471
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25471
38 1 7 "Average Difference" HA 12 0.131 -0.027 0.134 25471
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25471
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25471
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25471
42 1 7 "Average Difference" HN 12 0.503 -0.327 0.399 25471
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25471
44 1 8 "Average Difference" HA 12 0.162 0.004 0.170 25471
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25471
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25471
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25471
48 1 8 "Average Difference" HN 12 0.421 -0.133 0.417 25471
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25471
50 1 9 "Average Difference" HA 12 0.135 -0.023 0.139 25471
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25471
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25471
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25471
54 1 9 "Average Difference" HN 12 0.412 -0.193 0.380 25471
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25471
56 1 10 "Average Difference" HA 12 0.114 -0.012 0.118 25471
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25471
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25471
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25471
60 1 10 "Average Difference" HN 12 0.471 -0.227 0.431 25471
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25471
62 1 11 "Average Difference" HA 12 0.118 -0.049 0.111 25471
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25471
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25471
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25471
66 1 11 "Average Difference" HN 12 0.474 -0.258 0.415 25471
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25471
68 1 12 "Average Difference" HA 12 0.216 -0.075 0.211 25471
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25471
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25471
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25471
72 1 12 "Average Difference" HN 12 0.504 -0.287 0.433 25471
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25471
74 1 13 "Average Difference" HA 12 0.122 -0.048 0.117 25471
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25471
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25471
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25471
78 1 13 "Average Difference" HN 12 0.454 -0.249 0.396 25471
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25471
80 1 14 "Average Difference" HA 12 0.103 0.000 0.108 25471
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25471
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25471
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25471
84 1 14 "Average Difference" HN 12 0.463 -0.194 0.439 25471
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25471
86 1 15 "Average Difference" HA 12 0.135 -0.002 0.141 25471
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25471
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25471
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25471
90 1 15 "Average Difference" HN 12 0.462 -0.235 0.415 25471
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25471
92 1 16 "Average Difference" HA 12 0.156 -0.073 0.145 25471
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25471
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25471
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25471
96 1 16 "Average Difference" HN 12 0.432 -0.282 0.342 25471
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25471
98 1 17 "Average Difference" HA 12 0.097 -0.042 0.092 25471
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25471
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25471
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25471
102 1 17 "Average Difference" HN 12 0.506 -0.229 0.471 25471
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25471
104 1 18 "Average Difference" HA 12 0.143 -0.035 0.144 25471
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25471
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25471
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25471
108 1 18 "Average Difference" HN 12 0.394 -0.174 0.369 25471
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25471
110 1 19 "Average Difference" HA 12 0.150 -0.028 0.154 25471
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25471
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25471
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25471
114 1 19 "Average Difference" HN 12 0.470 -0.168 0.458 25471
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25471
116 1 20 "Average Difference" HA 12 0.176 -0.015 0.183 25471
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25471
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25471
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25471
120 1 20 "Average Difference" HN 12 0.381 -0.159 0.361 25471
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 25471
_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 4.400 4.400 4.369 0.031 25471
2 1 . 1 1 2 2 SER H H 2 8.760 8.760 8.506 0.254 25471
3 1 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.271 0.109 25471
4 1 . 1 1 3 3 LYS H H 3 8.140 8.140 8.095 0.045 25471
5 1 . 1 1 4 4 ASP HA H 4 4.700 4.700 4.442 0.258 25471
6 1 . 1 1 4 4 ASP H H 4 8.210 8.210 8.364 -0.154 25471
7 1 . 1 1 5 5 LEU HA H 5 4.110 4.110 4.110 0.000 25471
8 1 . 1 1 5 5 LEU H H 5 8.390 8.390 7.513 0.877 25471
9 1 . 1 1 6 6 ARG HA H 6 3.960 3.960 4.212 -0.252 25471
10 1 . 1 1 6 6 ARG H H 6 8.050 8.050 7.629 0.421 25471
11 1 . 1 1 7 7 HIS HA H 7 4.490 4.490 4.484 0.006 25471
12 1 . 1 1 7 7 HIS H H 7 7.790 7.790 8.283 -0.493 25471
13 1 . 1 1 8 8 ALA HA H 8 4.160 4.160 4.153 0.007 25471
14 1 . 1 1 8 8 ALA H H 8 8.160 8.160 7.627 0.533 25471
15 1 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.225 0.085 25471
16 1 . 1 1 9 9 PHE H H 9 8.300 8.300 7.646 0.654 25471
17 1 . 1 1 10 10 ARG HA H 10 3.970 3.970 3.931 0.039 25471
18 1 . 1 1 10 10 ARG H H 10 8.030 8.030 7.640 0.390 25471
19 1 . 1 1 11 11 SER HA H 11 4.300 4.300 4.265 0.035 25471
20 1 . 1 1 11 11 SER H H 11 7.820 7.820 7.899 -0.079 25471
21 1 . 1 1 12 12 MET HA H 12 4.210 4.210 4.303 -0.093 25471
22 1 . 1 1 12 12 MET H H 12 7.530 7.530 7.313 0.217 25471
23 1 . 1 1 13 13 PHE HA H 13 4.730 4.730 4.624 0.106 25471
24 1 . 1 1 13 13 PHE H H 13 7.580 7.580 7.558 0.022 25471
stop_
save_