data_25470
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25470
_Entry.PDB_ID 2MZ2
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 25470
_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 4 4 ASP HA H 4 4.930 4.930 4.298 0.632 25470
2 1 1 . 1 1 4 4 ASP H H 4 8.290 8.290 7.984 0.306 25470
3 1 1 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.158 0.152 25470
4 1 1 . 1 1 5 5 LEU H H 5 8.480 8.480 7.984 0.496 25470
5 1 1 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.023 0.137 25470
6 1 1 . 1 1 6 6 ARG H H 6 8.220 8.220 7.409 0.811 25470
7 1 1 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.469 0.201 25470
8 1 1 . 1 1 7 7 HIS H H 7 8.010 8.010 7.892 0.118 25470
9 1 1 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.201 0.149 25470
10 1 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.646 0.554 25470
11 1 1 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.321 0.189 25470
12 1 1 . 1 1 9 9 PHE H H 9 8.360 8.360 7.698 0.662 25470
13 1 1 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.220 -0.120 25470
14 1 1 . 1 1 10 10 ARG H H 10 8.070 8.070 7.570 0.500 25470
15 1 1 . 1 1 11 11 SER HA H 11 4.470 4.470 4.368 0.102 25470
16 1 1 . 1 1 11 11 SER H H 11 7.940 7.940 7.719 0.221 25470
17 1 1 . 1 1 12 12 MET HA H 12 4.410 4.410 4.312 0.098 25470
18 1 1 . 1 1 12 12 MET H H 12 7.690 7.690 7.440 0.250 25470
19 1 1 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.797 0.113 25470
20 1 1 . 1 1 13 13 PHE H H 13 7.680 7.680 7.706 -0.026 25470
21 1 1 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.364 0.296 25470
22 1 1 . 1 1 15 15 SER HA H 15 4.690 4.690 4.409 0.281 25470
23 1 1 . 1 1 15 15 SER H H 15 8.340 8.340 8.343 -0.003 25470
24 1 1 . 1 1 16 16 SER HA H 16 4.670 4.670 4.449 0.221 25470
25 1 1 . 1 1 16 16 SER H H 16 8.380 8.380 7.908 0.472 25470
26 1 2 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.567 0.363 25470
27 1 2 . 1 1 4 4 ASP H H 4 8.290 8.290 8.418 -0.128 25470
28 1 2 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.164 0.146 25470
29 1 2 . 1 1 5 5 LEU H H 5 8.480 8.480 8.214 0.266 25470
30 1 2 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.337 -0.177 25470
31 1 2 . 1 1 6 6 ARG H H 6 8.220 8.220 7.707 0.513 25470
32 1 2 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.528 0.142 25470
33 1 2 . 1 1 7 7 HIS H H 7 8.010 8.010 8.213 -0.203 25470
34 1 2 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.195 0.155 25470
35 1 2 . 1 1 8 8 ALA H H 8 8.200 8.200 7.507 0.693 25470
36 1 2 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.384 0.126 25470
37 1 2 . 1 1 9 9 PHE H H 9 8.360 8.360 7.505 0.855 25470
38 1 2 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.268 -0.168 25470
39 1 2 . 1 1 10 10 ARG H H 10 8.070 8.070 7.567 0.503 25470
40 1 2 . 1 1 11 11 SER HA H 11 4.470 4.470 4.336 0.134 25470
41 1 2 . 1 1 11 11 SER H H 11 7.940 7.940 7.508 0.432 25470
42 1 2 . 1 1 12 12 MET HA H 12 4.410 4.410 4.305 0.105 25470
43 1 2 . 1 1 12 12 MET H H 12 7.690 7.690 7.545 0.145 25470
44 1 2 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.770 0.140 25470
45 1 2 . 1 1 13 13 PHE H H 13 7.680 7.680 7.686 -0.006 25470
46 1 2 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.398 0.262 25470
47 1 2 . 1 1 15 15 SER HA H 15 4.690 4.690 4.347 0.343 25470
48 1 2 . 1 1 15 15 SER H H 15 8.340 8.340 8.695 -0.355 25470
49 1 2 . 1 1 16 16 SER HA H 16 4.670 4.670 4.450 0.220 25470
50 1 2 . 1 1 16 16 SER H H 16 8.380 8.380 7.646 0.734 25470
51 1 3 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.585 0.345 25470
52 1 3 . 1 1 4 4 ASP H H 4 8.290 8.290 8.151 0.139 25470
53 1 3 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.174 0.136 25470
54 1 3 . 1 1 5 5 LEU H H 5 8.480 8.480 8.064 0.416 25470
55 1 3 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.166 -0.006 25470
56 1 3 . 1 1 6 6 ARG H H 6 8.220 8.220 7.535 0.685 25470
57 1 3 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.462 0.208 25470
58 1 3 . 1 1 7 7 HIS H H 7 8.010 8.010 8.091 -0.081 25470
59 1 3 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.255 0.095 25470
60 1 3 . 1 1 8 8 ALA H H 8 8.200 8.200 7.623 0.577 25470
61 1 3 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.240 0.270 25470
62 1 3 . 1 1 9 9 PHE H H 9 8.360 8.360 7.742 0.618 25470
63 1 3 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.109 -0.009 25470
64 1 3 . 1 1 10 10 ARG H H 10 8.070 8.070 7.577 0.493 25470
65 1 3 . 1 1 11 11 SER HA H 11 4.470 4.470 4.375 0.095 25470
66 1 3 . 1 1 11 11 SER H H 11 7.940 7.940 7.782 0.158 25470
67 1 3 . 1 1 12 12 MET HA H 12 4.410 4.410 4.267 0.143 25470
68 1 3 . 1 1 12 12 MET H H 12 7.690 7.690 7.475 0.215 25470
69 1 3 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.798 0.112 25470
70 1 3 . 1 1 13 13 PHE H H 13 7.680 7.680 7.539 0.141 25470
71 1 3 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.381 0.279 25470
72 1 3 . 1 1 15 15 SER HA H 15 4.690 4.690 4.401 0.289 25470
73 1 3 . 1 1 15 15 SER H H 15 8.340 8.340 8.346 -0.006 25470
74 1 3 . 1 1 16 16 SER HA H 16 4.670 4.670 4.429 0.241 25470
75 1 3 . 1 1 16 16 SER H H 16 8.380 8.380 7.688 0.692 25470
76 1 4 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.423 0.507 25470
77 1 4 . 1 1 4 4 ASP H H 4 8.290 8.290 8.109 0.181 25470
78 1 4 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.181 0.129 25470
79 1 4 . 1 1 5 5 LEU H H 5 8.480 8.480 8.142 0.338 25470
80 1 4 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.226 -0.066 25470
81 1 4 . 1 1 6 6 ARG H H 6 8.220 8.220 7.546 0.674 25470
82 1 4 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.489 0.181 25470
83 1 4 . 1 1 7 7 HIS H H 7 8.010 8.010 8.288 -0.278 25470
84 1 4 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.314 0.036 25470
85 1 4 . 1 1 8 8 ALA H H 8 8.200 8.200 7.527 0.673 25470
86 1 4 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.249 0.261 25470
87 1 4 . 1 1 9 9 PHE H H 9 8.360 8.360 7.626 0.734 25470
88 1 4 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.073 0.027 25470
89 1 4 . 1 1 10 10 ARG H H 10 8.070 8.070 7.553 0.517 25470
90 1 4 . 1 1 11 11 SER HA H 11 4.470 4.470 4.314 0.156 25470
91 1 4 . 1 1 11 11 SER H H 11 7.940 7.940 7.437 0.503 25470
92 1 4 . 1 1 12 12 MET HA H 12 4.410 4.410 4.341 0.069 25470
93 1 4 . 1 1 12 12 MET H H 12 7.690 7.690 7.447 0.243 25470
94 1 4 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.756 0.154 25470
95 1 4 . 1 1 13 13 PHE H H 13 7.680 7.680 7.457 0.224 25470
96 1 4 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.379 0.281 25470
97 1 4 . 1 1 15 15 SER HA H 15 4.690 4.690 4.468 0.222 25470
98 1 4 . 1 1 15 15 SER H H 15 8.340 8.340 8.391 -0.051 25470
99 1 4 . 1 1 16 16 SER HA H 16 4.670 4.670 4.500 0.170 25470
100 1 4 . 1 1 16 16 SER H H 16 8.380 8.380 7.680 0.700 25470
101 1 5 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.568 0.362 25470
102 1 5 . 1 1 4 4 ASP H H 4 8.290 8.290 8.331 -0.040 25470
103 1 5 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.150 0.160 25470
104 1 5 . 1 1 5 5 LEU H H 5 8.480 8.480 7.928 0.552 25470
105 1 5 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.432 -0.272 25470
106 1 5 . 1 1 6 6 ARG H H 6 8.220 8.220 7.631 0.589 25470
107 1 5 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.501 0.169 25470
108 1 5 . 1 1 7 7 HIS H H 7 8.010 8.010 8.117 -0.107 25470
109 1 5 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.171 0.179 25470
110 1 5 . 1 1 8 8 ALA H H 8 8.200 8.200 7.505 0.695 25470
111 1 5 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.317 0.193 25470
112 1 5 . 1 1 9 9 PHE H H 9 8.360 8.360 7.448 0.912 25470
113 1 5 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.042 0.058 25470
114 1 5 . 1 1 10 10 ARG H H 10 8.070 8.070 7.518 0.552 25470
115 1 5 . 1 1 11 11 SER HA H 11 4.470 4.470 4.273 0.197 25470
116 1 5 . 1 1 11 11 SER H H 11 7.940 7.940 7.916 0.024 25470
117 1 5 . 1 1 12 12 MET HA H 12 4.410 4.410 4.325 0.085 25470
118 1 5 . 1 1 12 12 MET H H 12 7.690 7.690 7.533 0.157 25470
119 1 5 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.793 0.117 25470
120 1 5 . 1 1 13 13 PHE H H 13 7.680 7.680 7.525 0.155 25470
121 1 5 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.371 0.289 25470
122 1 5 . 1 1 15 15 SER HA H 15 4.690 4.690 4.320 0.370 25470
123 1 5 . 1 1 15 15 SER H H 15 8.340 8.340 8.596 -0.256 25470
124 1 5 . 1 1 16 16 SER HA H 16 4.670 4.670 4.480 0.190 25470
125 1 5 . 1 1 16 16 SER H H 16 8.380 8.380 7.663 0.717 25470
126 1 6 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.593 0.337 25470
127 1 6 . 1 1 4 4 ASP H H 4 8.290 8.290 8.331 -0.041 25470
128 1 6 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.086 0.224 25470
129 1 6 . 1 1 5 5 LEU H H 5 8.480 8.480 8.305 0.175 25470
130 1 6 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.132 0.028 25470
131 1 6 . 1 1 6 6 ARG H H 6 8.220 8.220 7.633 0.587 25470
132 1 6 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.513 0.157 25470
133 1 6 . 1 1 7 7 HIS H H 7 8.010 8.010 8.268 -0.258 25470
134 1 6 . 1 1 8 8 ALA HA H 8 4.350 4.350 3.745 0.605 25470
135 1 6 . 1 1 8 8 ALA H H 8 8.200 8.200 7.455 0.745 25470
136 1 6 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.299 0.211 25470
137 1 6 . 1 1 9 9 PHE H H 9 8.360 8.360 7.582 0.778 25470
138 1 6 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.175 -0.075 25470
139 1 6 . 1 1 10 10 ARG H H 10 8.070 8.070 7.434 0.636 25470
140 1 6 . 1 1 11 11 SER HA H 11 4.470 4.470 4.259 0.211 25470
141 1 6 . 1 1 11 11 SER H H 11 7.940 7.940 7.628 0.312 25470
142 1 6 . 1 1 12 12 MET HA H 12 4.410 4.410 4.255 0.155 25470
143 1 6 . 1 1 12 12 MET H H 12 7.690 7.690 7.799 -0.109 25470
144 1 6 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.752 0.158 25470
145 1 6 . 1 1 13 13 PHE H H 13 7.680 7.680 7.703 -0.023 25470
146 1 6 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.442 0.218 25470
147 1 6 . 1 1 15 15 SER HA H 15 4.690 4.690 4.385 0.305 25470
148 1 6 . 1 1 15 15 SER H H 15 8.340 8.340 8.468 -0.128 25470
149 1 6 . 1 1 16 16 SER HA H 16 4.670 4.670 4.373 0.297 25470
150 1 6 . 1 1 16 16 SER H H 16 8.380 8.380 7.827 0.553 25470
151 1 7 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.681 0.249 25470
152 1 7 . 1 1 4 4 ASP H H 4 8.290 8.290 8.367 -0.077 25470
153 1 7 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.120 0.190 25470
154 1 7 . 1 1 5 5 LEU H H 5 8.480 8.480 8.112 0.368 25470
155 1 7 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.136 0.024 25470
156 1 7 . 1 1 6 6 ARG H H 6 8.220 8.220 8.026 0.194 25470
157 1 7 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.521 0.149 25470
158 1 7 . 1 1 7 7 HIS H H 7 8.010 8.010 8.277 -0.267 25470
159 1 7 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.127 0.223 25470
160 1 7 . 1 1 8 8 ALA H H 8 8.200 8.200 7.571 0.629 25470
161 1 7 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.253 0.257 25470
162 1 7 . 1 1 9 9 PHE H H 9 8.360 8.360 7.615 0.745 25470
163 1 7 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.095 0.005 25470
164 1 7 . 1 1 10 10 ARG H H 10 8.070 8.070 7.434 0.636 25470
165 1 7 . 1 1 11 11 SER HA H 11 4.470 4.470 4.185 0.285 25470
166 1 7 . 1 1 11 11 SER H H 11 7.940 7.940 7.419 0.521 25470
167 1 7 . 1 1 12 12 MET HA H 12 4.410 4.410 4.310 0.100 25470
168 1 7 . 1 1 12 12 MET H H 12 7.690 7.690 7.513 0.177 25470
169 1 7 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.821 0.089 25470
170 1 7 . 1 1 13 13 PHE H H 13 7.680 7.680 7.680 0.000 25470
171 1 7 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.333 0.327 25470
172 1 7 . 1 1 15 15 SER HA H 15 4.690 4.690 4.355 0.335 25470
173 1 7 . 1 1 15 15 SER H H 15 8.340 8.340 8.604 -0.264 25470
174 1 7 . 1 1 16 16 SER HA H 16 4.670 4.670 4.525 0.145 25470
175 1 7 . 1 1 16 16 SER H H 16 8.380 8.380 7.749 0.631 25470
176 1 8 . 1 1 4 4 ASP HA H 4 4.930 4.930 3.933 0.997 25470
177 1 8 . 1 1 4 4 ASP H H 4 8.290 8.290 8.108 0.182 25470
178 1 8 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.030 0.280 25470
179 1 8 . 1 1 5 5 LEU H H 5 8.480 8.480 7.937 0.543 25470
180 1 8 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.111 0.049 25470
181 1 8 . 1 1 6 6 ARG H H 6 8.220 8.220 7.485 0.735 25470
182 1 8 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.480 0.190 25470
183 1 8 . 1 1 7 7 HIS H H 7 8.010 8.010 8.036 -0.026 25470
184 1 8 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.301 0.049 25470
185 1 8 . 1 1 8 8 ALA H H 8 8.200 8.200 7.562 0.638 25470
186 1 8 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.384 0.126 25470
187 1 8 . 1 1 9 9 PHE H H 9 8.360 8.360 7.654 0.706 25470
188 1 8 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.219 -0.119 25470
189 1 8 . 1 1 10 10 ARG H H 10 8.070 8.070 7.666 0.404 25470
190 1 8 . 1 1 11 11 SER HA H 11 4.470 4.470 4.345 0.125 25470
191 1 8 . 1 1 11 11 SER H H 11 7.940 7.940 7.462 0.478 25470
192 1 8 . 1 1 12 12 MET HA H 12 4.410 4.410 4.262 0.148 25470
193 1 8 . 1 1 12 12 MET H H 12 7.690 7.690 7.628 0.062 25470
194 1 8 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.654 0.256 25470
195 1 8 . 1 1 13 13 PHE H H 13 7.680 7.680 7.439 0.241 25470
196 1 8 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.421 0.239 25470
197 1 8 . 1 1 15 15 SER HA H 15 4.690 4.690 4.445 0.245 25470
198 1 8 . 1 1 15 15 SER H H 15 8.340 8.340 8.232 0.108 25470
199 1 8 . 1 1 16 16 SER HA H 16 4.670 4.670 4.447 0.223 25470
200 1 8 . 1 1 16 16 SER H H 16 8.380 8.380 7.695 0.685 25470
201 1 9 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.244 0.686 25470
202 1 9 . 1 1 4 4 ASP H H 4 8.290 8.290 8.030 0.260 25470
203 1 9 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.139 0.171 25470
204 1 9 . 1 1 5 5 LEU H H 5 8.480 8.480 8.099 0.381 25470
205 1 9 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.236 -0.076 25470
206 1 9 . 1 1 6 6 ARG H H 6 8.220 8.220 7.745 0.475 25470
207 1 9 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.504 0.166 25470
208 1 9 . 1 1 7 7 HIS H H 7 8.010 8.010 8.311 -0.301 25470
209 1 9 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.228 0.122 25470
210 1 9 . 1 1 8 8 ALA H H 8 8.200 8.200 7.643 0.557 25470
211 1 9 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.297 0.213 25470
212 1 9 . 1 1 9 9 PHE H H 9 8.360 8.360 7.631 0.729 25470
213 1 9 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.210 -0.110 25470
214 1 9 . 1 1 10 10 ARG H H 10 8.070 8.070 7.671 0.399 25470
215 1 9 . 1 1 11 11 SER HA H 11 4.470 4.470 4.316 0.154 25470
216 1 9 . 1 1 11 11 SER H H 11 7.940 7.940 7.581 0.359 25470
217 1 9 . 1 1 12 12 MET HA H 12 4.410 4.410 4.345 0.065 25470
218 1 9 . 1 1 12 12 MET H H 12 7.690 7.690 7.543 0.147 25470
219 1 9 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.760 0.150 25470
220 1 9 . 1 1 13 13 PHE H H 13 7.680 7.680 7.706 -0.026 25470
221 1 9 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.374 0.286 25470
222 1 9 . 1 1 15 15 SER HA H 15 4.690 4.690 4.337 0.353 25470
223 1 9 . 1 1 15 15 SER H H 15 8.340 8.340 8.320 0.020 25470
224 1 9 . 1 1 16 16 SER HA H 16 4.670 4.670 4.440 0.230 25470
225 1 9 . 1 1 16 16 SER H H 16 8.380 8.380 7.807 0.573 25470
226 1 10 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.644 0.286 25470
227 1 10 . 1 1 4 4 ASP H H 4 8.290 8.290 8.081 0.209 25470
228 1 10 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.142 0.168 25470
229 1 10 . 1 1 5 5 LEU H H 5 8.480 8.480 7.904 0.576 25470
230 1 10 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.247 -0.087 25470
231 1 10 . 1 1 6 6 ARG H H 6 8.220 8.220 7.569 0.651 25470
232 1 10 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.477 0.193 25470
233 1 10 . 1 1 7 7 HIS H H 7 8.010 8.010 8.156 -0.146 25470
234 1 10 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.269 0.081 25470
235 1 10 . 1 1 8 8 ALA H H 8 8.200 8.200 7.542 0.658 25470
236 1 10 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.217 0.293 25470
237 1 10 . 1 1 9 9 PHE H H 9 8.360 8.360 7.689 0.671 25470
238 1 10 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.220 -0.120 25470
239 1 10 . 1 1 10 10 ARG H H 10 8.070 8.070 7.799 0.271 25470
240 1 10 . 1 1 11 11 SER HA H 11 4.470 4.470 4.414 0.056 25470
241 1 10 . 1 1 11 11 SER H H 11 7.940 7.940 7.705 0.235 25470
242 1 10 . 1 1 12 12 MET HA H 12 4.410 4.410 4.452 -0.042 25470
243 1 10 . 1 1 12 12 MET H H 12 7.690 7.690 8.039 -0.349 25470
244 1 10 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.885 0.025 25470
245 1 10 . 1 1 13 13 PHE H H 13 7.680 7.680 7.695 -0.015 25470
246 1 10 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.428 0.232 25470
247 1 10 . 1 1 15 15 SER HA H 15 4.690 4.690 4.417 0.273 25470
248 1 10 . 1 1 15 15 SER H H 15 8.340 8.340 8.481 -0.141 25470
249 1 10 . 1 1 16 16 SER HA H 16 4.670 4.670 4.520 0.150 25470
250 1 10 . 1 1 16 16 SER H H 16 8.380 8.380 7.751 0.629 25470
251 1 11 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.672 0.258 25470
252 1 11 . 1 1 4 4 ASP H H 4 8.290 8.290 7.898 0.392 25470
253 1 11 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.137 0.173 25470
254 1 11 . 1 1 5 5 LEU H H 5 8.480 8.480 7.796 0.684 25470
255 1 11 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.168 -0.008 25470
256 1 11 . 1 1 6 6 ARG H H 6 8.220 8.220 8.041 0.179 25470
257 1 11 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.526 0.144 25470
258 1 11 . 1 1 7 7 HIS H H 7 8.010 8.010 8.338 -0.328 25470
259 1 11 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.266 0.084 25470
260 1 11 . 1 1 8 8 ALA H H 8 8.200 8.200 7.656 0.544 25470
261 1 11 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.367 0.143 25470
262 1 11 . 1 1 9 9 PHE H H 9 8.360 8.360 7.654 0.706 25470
263 1 11 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.184 -0.084 25470
264 1 11 . 1 1 10 10 ARG H H 10 8.070 8.070 7.530 0.540 25470
265 1 11 . 1 1 11 11 SER HA H 11 4.470 4.470 4.313 0.157 25470
266 1 11 . 1 1 11 11 SER H H 11 7.940 7.940 7.524 0.416 25470
267 1 11 . 1 1 12 12 MET HA H 12 4.410 4.410 4.214 0.196 25470
268 1 11 . 1 1 12 12 MET H H 12 7.690 7.690 7.711 -0.021 25470
269 1 11 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.581 0.329 25470
270 1 11 . 1 1 13 13 PHE H H 13 7.680 7.680 7.391 0.289 25470
271 1 11 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.354 0.306 25470
272 1 11 . 1 1 15 15 SER HA H 15 4.690 4.690 4.363 0.327 25470
273 1 11 . 1 1 15 15 SER H H 15 8.340 8.340 8.450 -0.110 25470
274 1 11 . 1 1 16 16 SER HA H 16 4.670 4.670 4.346 0.324 25470
275 1 11 . 1 1 16 16 SER H H 16 8.380 8.380 7.744 0.636 25470
276 1 12 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.561 0.369 25470
277 1 12 . 1 1 4 4 ASP H H 4 8.290 8.290 8.078 0.212 25470
278 1 12 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.160 0.150 25470
279 1 12 . 1 1 5 5 LEU H H 5 8.480 8.480 8.158 0.322 25470
280 1 12 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.162 -0.002 25470
281 1 12 . 1 1 6 6 ARG H H 6 8.220 8.220 7.713 0.507 25470
282 1 12 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.452 0.218 25470
283 1 12 . 1 1 7 7 HIS H H 7 8.010 8.010 8.180 -0.170 25470
284 1 12 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.107 0.243 25470
285 1 12 . 1 1 8 8 ALA H H 8 8.200 8.200 7.523 0.677 25470
286 1 12 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.322 0.188 25470
287 1 12 . 1 1 9 9 PHE H H 9 8.360 8.360 7.664 0.696 25470
288 1 12 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.016 0.084 25470
289 1 12 . 1 1 10 10 ARG H H 10 8.070 8.070 7.473 0.597 25470
290 1 12 . 1 1 11 11 SER HA H 11 4.470 4.470 4.289 0.181 25470
291 1 12 . 1 1 11 11 SER H H 11 7.940 7.940 8.020 -0.080 25470
292 1 12 . 1 1 12 12 MET HA H 12 4.410 4.410 4.207 0.203 25470
293 1 12 . 1 1 12 12 MET H H 12 7.690 7.690 7.441 0.249 25470
294 1 12 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.634 0.276 25470
295 1 12 . 1 1 13 13 PHE H H 13 7.680 7.680 7.314 0.366 25470
296 1 12 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.401 0.259 25470
297 1 12 . 1 1 15 15 SER HA H 15 4.690 4.690 4.396 0.294 25470
298 1 12 . 1 1 15 15 SER H H 15 8.340 8.340 8.340 0.000 25470
299 1 12 . 1 1 16 16 SER HA H 16 4.670 4.670 4.484 0.186 25470
300 1 12 . 1 1 16 16 SER H H 16 8.380 8.380 7.735 0.645 25470
301 1 13 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.571 0.359 25470
302 1 13 . 1 1 4 4 ASP H H 4 8.290 8.290 8.206 0.084 25470
303 1 13 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.159 0.151 25470
304 1 13 . 1 1 5 5 LEU H H 5 8.480 8.480 8.181 0.299 25470
305 1 13 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.240 -0.080 25470
306 1 13 . 1 1 6 6 ARG H H 6 8.220 8.220 7.630 0.590 25470
307 1 13 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.491 0.179 25470
308 1 13 . 1 1 7 7 HIS H H 7 8.010 8.010 8.045 -0.035 25470
309 1 13 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.111 0.239 25470
310 1 13 . 1 1 8 8 ALA H H 8 8.200 8.200 7.496 0.704 25470
311 1 13 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.323 0.187 25470
312 1 13 . 1 1 9 9 PHE H H 9 8.360 8.360 7.554 0.806 25470
313 1 13 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.104 -0.004 25470
314 1 13 . 1 1 10 10 ARG H H 10 8.070 8.070 7.362 0.708 25470
315 1 13 . 1 1 11 11 SER HA H 11 4.470 4.470 4.258 0.212 25470
316 1 13 . 1 1 11 11 SER H H 11 7.940 7.940 7.385 0.555 25470
317 1 13 . 1 1 12 12 MET HA H 12 4.410 4.410 4.313 0.097 25470
318 1 13 . 1 1 12 12 MET H H 12 7.690 7.690 7.585 0.105 25470
319 1 13 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.821 0.089 25470
320 1 13 . 1 1 13 13 PHE H H 13 7.680 7.680 7.668 0.012 25470
321 1 13 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.403 0.257 25470
322 1 13 . 1 1 15 15 SER HA H 15 4.690 4.690 4.397 0.293 25470
323 1 13 . 1 1 15 15 SER H H 15 8.340 8.340 8.352 -0.012 25470
324 1 13 . 1 1 16 16 SER HA H 16 4.670 4.670 4.356 0.314 25470
325 1 13 . 1 1 16 16 SER H H 16 8.380 8.380 7.610 0.770 25470
326 1 14 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.797 0.133 25470
327 1 14 . 1 1 4 4 ASP H H 4 8.290 8.290 8.389 -0.099 25470
328 1 14 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.146 0.164 25470
329 1 14 . 1 1 5 5 LEU H H 5 8.480 8.480 7.651 0.829 25470
330 1 14 . 1 1 6 6 ARG HA H 6 4.160 4.160 3.790 0.370 25470
331 1 14 . 1 1 6 6 ARG H H 6 8.220 8.220 7.650 0.570 25470
332 1 14 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.458 0.212 25470
333 1 14 . 1 1 7 7 HIS H H 7 8.010 8.010 7.894 0.116 25470
334 1 14 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.248 0.102 25470
335 1 14 . 1 1 8 8 ALA H H 8 8.200 8.200 7.607 0.593 25470
336 1 14 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.307 0.203 25470
337 1 14 . 1 1 9 9 PHE H H 9 8.360 8.360 7.734 0.626 25470
338 1 14 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.093 0.007 25470
339 1 14 . 1 1 10 10 ARG H H 10 8.070 8.070 7.526 0.544 25470
340 1 14 . 1 1 11 11 SER HA H 11 4.470 4.470 4.345 0.125 25470
341 1 14 . 1 1 11 11 SER H H 11 7.940 7.940 7.736 0.204 25470
342 1 14 . 1 1 12 12 MET HA H 12 4.410 4.410 4.350 0.060 25470
343 1 14 . 1 1 12 12 MET H H 12 7.690 7.690 7.331 0.359 25470
344 1 14 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.822 0.088 25470
345 1 14 . 1 1 13 13 PHE H H 13 7.680 7.680 7.389 0.291 25470
346 1 14 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.432 0.228 25470
347 1 14 . 1 1 15 15 SER HA H 15 4.690 4.690 4.429 0.261 25470
348 1 14 . 1 1 15 15 SER H H 15 8.340 8.340 8.681 -0.341 25470
349 1 14 . 1 1 16 16 SER HA H 16 4.670 4.670 4.476 0.194 25470
350 1 14 . 1 1 16 16 SER H H 16 8.380 8.380 7.677 0.703 25470
351 1 15 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.685 0.245 25470
352 1 15 . 1 1 4 4 ASP H H 4 8.290 8.290 8.148 0.142 25470
353 1 15 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.156 0.154 25470
354 1 15 . 1 1 5 5 LEU H H 5 8.480 8.480 8.117 0.363 25470
355 1 15 . 1 1 6 6 ARG HA H 6 4.160 4.160 3.904 0.256 25470
356 1 15 . 1 1 6 6 ARG H H 6 8.220 8.220 7.968 0.252 25470
357 1 15 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.463 0.207 25470
358 1 15 . 1 1 7 7 HIS H H 7 8.010 8.010 8.306 -0.296 25470
359 1 15 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.264 0.086 25470
360 1 15 . 1 1 8 8 ALA H H 8 8.200 8.200 7.630 0.570 25470
361 1 15 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.369 0.141 25470
362 1 15 . 1 1 9 9 PHE H H 9 8.360 8.360 7.805 0.555 25470
363 1 15 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.275 -0.175 25470
364 1 15 . 1 1 10 10 ARG H H 10 8.070 8.070 7.741 0.329 25470
365 1 15 . 1 1 11 11 SER HA H 11 4.470 4.470 4.380 0.090 25470
366 1 15 . 1 1 11 11 SER H H 11 7.940 7.940 7.588 0.352 25470
367 1 15 . 1 1 12 12 MET HA H 12 4.410 4.410 4.364 0.046 25470
368 1 15 . 1 1 12 12 MET H H 12 7.690 7.690 7.624 0.066 25470
369 1 15 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.782 0.128 25470
370 1 15 . 1 1 13 13 PHE H H 13 7.680 7.680 7.686 -0.006 25470
371 1 15 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.341 0.319 25470
372 1 15 . 1 1 15 15 SER HA H 15 4.690 4.690 4.349 0.341 25470
373 1 15 . 1 1 15 15 SER H H 15 8.340 8.340 8.313 0.027 25470
374 1 15 . 1 1 16 16 SER HA H 16 4.670 4.670 4.434 0.236 25470
375 1 15 . 1 1 16 16 SER H H 16 8.380 8.380 7.662 0.718 25470
376 1 16 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.601 0.329 25470
377 1 16 . 1 1 4 4 ASP H H 4 8.290 8.290 8.295 -0.005 25470
378 1 16 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.163 0.147 25470
379 1 16 . 1 1 5 5 LEU H H 5 8.480 8.480 8.149 0.331 25470
380 1 16 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.331 -0.171 25470
381 1 16 . 1 1 6 6 ARG H H 6 8.220 8.220 7.680 0.540 25470
382 1 16 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.497 0.173 25470
383 1 16 . 1 1 7 7 HIS H H 7 8.010 8.010 8.181 -0.171 25470
384 1 16 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.186 0.164 25470
385 1 16 . 1 1 8 8 ALA H H 8 8.200 8.200 7.613 0.587 25470
386 1 16 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.318 0.192 25470
387 1 16 . 1 1 9 9 PHE H H 9 8.360 8.360 7.678 0.682 25470
388 1 16 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.243 -0.143 25470
389 1 16 . 1 1 10 10 ARG H H 10 8.070 8.070 7.594 0.476 25470
390 1 16 . 1 1 11 11 SER HA H 11 4.470 4.470 4.287 0.183 25470
391 1 16 . 1 1 11 11 SER H H 11 7.940 7.940 7.769 0.171 25470
392 1 16 . 1 1 12 12 MET HA H 12 4.410 4.410 4.249 0.161 25470
393 1 16 . 1 1 12 12 MET H H 12 7.690 7.690 7.470 0.220 25470
394 1 16 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.731 0.179 25470
395 1 16 . 1 1 13 13 PHE H H 13 7.680 7.680 7.556 0.124 25470
396 1 16 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.367 0.293 25470
397 1 16 . 1 1 15 15 SER HA H 15 4.690 4.690 4.363 0.327 25470
398 1 16 . 1 1 15 15 SER H H 15 8.340 8.340 8.477 -0.137 25470
399 1 16 . 1 1 16 16 SER HA H 16 4.670 4.670 4.357 0.313 25470
400 1 16 . 1 1 16 16 SER H H 16 8.380 8.380 7.769 0.611 25470
401 1 17 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.237 0.693 25470
402 1 17 . 1 1 4 4 ASP H H 4 8.290 8.290 7.925 0.365 25470
403 1 17 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.172 0.138 25470
404 1 17 . 1 1 5 5 LEU H H 5 8.480 8.480 7.806 0.674 25470
405 1 17 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.465 -0.305 25470
406 1 17 . 1 1 6 6 ARG H H 6 8.220 8.220 7.653 0.567 25470
407 1 17 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.550 0.120 25470
408 1 17 . 1 1 7 7 HIS H H 7 8.010 8.010 8.304 -0.294 25470
409 1 17 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.262 0.088 25470
410 1 17 . 1 1 8 8 ALA H H 8 8.200 8.200 7.613 0.587 25470
411 1 17 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.352 0.158 25470
412 1 17 . 1 1 9 9 PHE H H 9 8.360 8.360 7.676 0.684 25470
413 1 17 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.344 -0.244 25470
414 1 17 . 1 1 10 10 ARG H H 10 8.070 8.070 7.651 0.419 25470
415 1 17 . 1 1 11 11 SER HA H 11 4.470 4.470 4.295 0.175 25470
416 1 17 . 1 1 11 11 SER H H 11 7.940 7.940 7.673 0.268 25470
417 1 17 . 1 1 12 12 MET HA H 12 4.410 4.410 4.386 0.024 25470
418 1 17 . 1 1 12 12 MET H H 12 7.690 7.690 7.935 -0.245 25470
419 1 17 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.839 0.071 25470
420 1 17 . 1 1 13 13 PHE H H 13 7.680 7.680 7.726 -0.046 25470
421 1 17 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.624 0.036 25470
422 1 17 . 1 1 15 15 SER HA H 15 4.690 4.690 4.346 0.344 25470
423 1 17 . 1 1 15 15 SER H H 15 8.340 8.340 8.421 -0.081 25470
424 1 17 . 1 1 16 16 SER HA H 16 4.670 4.670 4.515 0.155 25470
425 1 17 . 1 1 16 16 SER H H 16 8.380 8.380 7.836 0.544 25470
426 1 18 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.583 0.347 25470
427 1 18 . 1 1 4 4 ASP H H 4 8.290 8.290 8.396 -0.106 25470
428 1 18 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.079 0.231 25470
429 1 18 . 1 1 5 5 LEU H H 5 8.480 8.480 7.703 0.777 25470
430 1 18 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.013 0.147 25470
431 1 18 . 1 1 6 6 ARG H H 6 8.220 8.220 7.583 0.637 25470
432 1 18 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.540 0.130 25470
433 1 18 . 1 1 7 7 HIS H H 7 8.010 8.010 8.151 -0.141 25470
434 1 18 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.228 0.122 25470
435 1 18 . 1 1 8 8 ALA H H 8 8.200 8.200 7.603 0.597 25470
436 1 18 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.280 0.230 25470
437 1 18 . 1 1 9 9 PHE H H 9 8.360 8.360 7.600 0.760 25470
438 1 18 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.364 -0.265 25470
439 1 18 . 1 1 10 10 ARG H H 10 8.070 8.070 7.430 0.640 25470
440 1 18 . 1 1 11 11 SER HA H 11 4.470 4.470 4.328 0.142 25470
441 1 18 . 1 1 11 11 SER H H 11 7.940 7.940 7.574 0.366 25470
442 1 18 . 1 1 12 12 MET HA H 12 4.410 4.410 4.200 0.210 25470
443 1 18 . 1 1 12 12 MET H H 12 7.690 7.690 7.217 0.473 25470
444 1 18 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.637 0.273 25470
445 1 18 . 1 1 13 13 PHE H H 13 7.680 7.680 7.210 0.470 25470
446 1 18 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.397 0.263 25470
447 1 18 . 1 1 15 15 SER HA H 15 4.690 4.690 4.270 0.420 25470
448 1 18 . 1 1 15 15 SER H H 15 8.340 8.340 8.148 0.192 25470
449 1 18 . 1 1 16 16 SER HA H 16 4.670 4.670 4.490 0.180 25470
450 1 18 . 1 1 16 16 SER H H 16 8.380 8.380 7.994 0.386 25470
451 1 19 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.132 0.798 25470
452 1 19 . 1 1 4 4 ASP H H 4 8.290 8.290 8.025 0.265 25470
453 1 19 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.056 0.254 25470
454 1 19 . 1 1 5 5 LEU H H 5 8.480 8.480 7.720 0.760 25470
455 1 19 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.082 0.078 25470
456 1 19 . 1 1 6 6 ARG H H 6 8.220 8.220 7.446 0.774 25470
457 1 19 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.516 0.154 25470
458 1 19 . 1 1 7 7 HIS H H 7 8.010 8.010 8.094 -0.084 25470
459 1 19 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.194 0.156 25470
460 1 19 . 1 1 8 8 ALA H H 8 8.200 8.200 7.656 0.544 25470
461 1 19 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.407 0.103 25470
462 1 19 . 1 1 9 9 PHE H H 9 8.360 8.360 7.689 0.671 25470
463 1 19 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.442 -0.342 25470
464 1 19 . 1 1 10 10 ARG H H 10 8.070 8.070 7.615 0.455 25470
465 1 19 . 1 1 11 11 SER HA H 11 4.470 4.470 4.349 0.121 25470
466 1 19 . 1 1 11 11 SER H H 11 7.940 7.940 7.733 0.207 25470
467 1 19 . 1 1 12 12 MET HA H 12 4.410 4.410 4.144 0.266 25470
468 1 19 . 1 1 12 12 MET H H 12 7.690 7.690 7.457 0.233 25470
469 1 19 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.639 0.271 25470
470 1 19 . 1 1 13 13 PHE H H 13 7.680 7.680 7.375 0.305 25470
471 1 19 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.752 -0.092 25470
472 1 19 . 1 1 15 15 SER HA H 15 4.690 4.690 4.344 0.346 25470
473 1 19 . 1 1 15 15 SER H H 15 8.340 8.340 8.295 0.045 25470
474 1 19 . 1 1 16 16 SER HA H 16 4.670 4.670 4.379 0.291 25470
475 1 19 . 1 1 16 16 SER H H 16 8.380 8.380 7.738 0.642 25470
476 1 20 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.595 0.335 25470
477 1 20 . 1 1 4 4 ASP H H 4 8.290 8.290 8.033 0.257 25470
478 1 20 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.120 0.190 25470
479 1 20 . 1 1 5 5 LEU H H 5 8.480 8.480 8.140 0.340 25470
480 1 20 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.365 -0.205 25470
481 1 20 . 1 1 6 6 ARG H H 6 8.220 8.220 7.653 0.567 25470
482 1 20 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.503 0.167 25470
483 1 20 . 1 1 7 7 HIS H H 7 8.010 8.010 8.131 -0.121 25470
484 1 20 . 1 1 8 8 ALA HA H 8 4.350 4.350 3.975 0.375 25470
485 1 20 . 1 1 8 8 ALA H H 8 8.200 8.200 7.459 0.741 25470
486 1 20 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.256 0.254 25470
487 1 20 . 1 1 9 9 PHE H H 9 8.360 8.360 7.524 0.836 25470
488 1 20 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.523 -0.423 25470
489 1 20 . 1 1 10 10 ARG H H 10 8.070 8.070 7.566 0.504 25470
490 1 20 . 1 1 11 11 SER HA H 11 4.470 4.470 4.243 0.227 25470
491 1 20 . 1 1 11 11 SER H H 11 7.940 7.940 7.581 0.359 25470
492 1 20 . 1 1 12 12 MET HA H 12 4.410 4.410 4.216 0.194 25470
493 1 20 . 1 1 12 12 MET H H 12 7.690 7.690 7.274 0.416 25470
494 1 20 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.759 0.151 25470
495 1 20 . 1 1 13 13 PHE H H 13 7.680 7.680 7.466 0.214 25470
496 1 20 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.484 0.176 25470
497 1 20 . 1 1 15 15 SER HA H 15 4.690 4.690 4.356 0.334 25470
498 1 20 . 1 1 15 15 SER H H 15 8.340 8.340 8.248 0.092 25470
499 1 20 . 1 1 16 16 SER HA H 16 4.670 4.670 4.469 0.201 25470
500 1 20 . 1 1 16 16 SER H H 16 8.380 8.380 7.938 0.442 25470
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 25470
2 1 1 "Average Difference" HA 13 0.248 -0.189 0.168 25470
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25470
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25470
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25470
6 1 1 "Average Difference" HN 12 0.442 -0.363 0.262 25470
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25470
8 1 2 "Average Difference" HA 13 0.207 -0.138 0.161 25470
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25470
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25470
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25470
12 1 2 "Average Difference" HN 12 0.477 -0.287 0.397 25470
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25470
14 1 3 "Average Difference" HA 13 0.201 -0.169 0.113 25470
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25470
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25470
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25470
18 1 3 "Average Difference" HN 12 0.428 -0.337 0.275 25470
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25470
20 1 4 "Average Difference" HA 13 0.213 -0.164 0.142 25470
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25470
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25470
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25470
24 1 4 "Average Difference" HN 12 0.482 -0.371 0.321 25470
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25470
26 1 5 "Average Difference" HA 13 0.223 -0.161 0.161 25470
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25470
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25470
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25470
30 1 5 "Average Difference" HN 12 0.493 -0.329 0.383 25470
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25470
32 1 6 "Average Difference" HA 13 0.267 -0.218 0.161 25470
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25470
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25470
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25470
36 1 6 "Average Difference" HN 12 0.451 -0.269 0.378 25470
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25470
38 1 7 "Average Difference" HA 13 0.210 -0.183 0.108 25470
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25470
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25470
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25470
42 1 7 "Average Difference" HN 12 0.445 -0.274 0.366 25470
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25470
44 1 8 "Average Difference" HA 13 0.330 -0.216 0.259 25470
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25470
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25470
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25470
48 1 8 "Average Difference" HN 12 0.475 -0.396 0.274 25470
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25470
50 1 9 "Average Difference" HA 13 0.265 -0.185 0.198 25470
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25470
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25470
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25470
54 1 9 "Average Difference" HN 12 0.409 -0.298 0.293 25470
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25470
56 1 10 "Average Difference" HA 13 0.179 -0.116 0.142 25470
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25470
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25470
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25470
60 1 10 "Average Difference" HN 12 0.444 -0.271 0.368 25470
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25470
62 1 11 "Average Difference" HA 13 0.220 -0.181 0.130 25470
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25470
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25470
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25470
66 1 11 "Average Difference" HN 12 0.458 -0.327 0.335 25470
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25470
68 1 12 "Average Difference" HA 13 0.223 -0.204 0.094 25470
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25470
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25470
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25470
72 1 12 "Average Difference" HN 12 0.443 -0.335 0.302 25470
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25470
74 1 13 "Average Difference" HA 13 0.214 -0.176 0.126 25470
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25470
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25470
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25470
78 1 13 "Average Difference" HN 12 0.500 -0.382 0.337 25470
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25470
80 1 14 "Average Difference" HA 13 0.189 -0.165 0.095 25470
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25470
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25470
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25470
84 1 14 "Average Difference" HN 12 0.495 -0.366 0.348 25470
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25470
86 1 15 "Average Difference" HA 13 0.206 -0.160 0.135 25470
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25470
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25470
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25470
90 1 15 "Average Difference" HN 12 0.375 -0.256 0.286 25470
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25470
92 1 16 "Average Difference" HA 13 0.225 -0.165 0.158 25470
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25470
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25470
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25470
96 1 16 "Average Difference" HN 12 0.403 -0.286 0.297 25470
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25470
98 1 17 "Average Difference" HA 13 0.260 -0.112 0.244 25470
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25470
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25470
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25470
102 1 17 "Average Difference" HN 12 0.449 -0.287 0.361 25470
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25470
104 1 18 "Average Difference" HA 13 0.243 -0.187 0.161 25470
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25470
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25470
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25470
108 1 18 "Average Difference" HN 12 0.512 -0.421 0.305 25470
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25470
110 1 19 "Average Difference" HA 13 0.311 -0.185 0.260 25470
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25470
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25470
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25470
114 1 19 "Average Difference" HN 12 0.484 -0.401 0.283 25470
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25470
116 1 20 "Average Difference" HA 13 0.263 -0.152 0.223 25470
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25470
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25470
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25470
120 1 20 "Average Difference" HN 12 0.463 -0.387 0.265 25470
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 25470
_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 4 4 ASP HA H 4 4.930 4.930 4.498 0.432 25470
2 1 . 1 1 4 4 ASP H H 4 8.290 8.290 8.165 0.125 25470
3 1 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.135 0.175 25470
4 1 . 1 1 5 5 LEU H H 5 8.480 8.480 8.006 0.475 25470
5 1 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.178 -0.018 25470
6 1 . 1 1 6 6 ARG H H 6 8.220 8.220 7.665 0.555 25470
7 1 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.497 0.173 25470
8 1 . 1 1 7 7 HIS H H 7 8.010 8.010 8.164 -0.154 25470
9 1 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.182 0.168 25470
10 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.572 0.628 25470
11 1 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.313 0.197 25470
12 1 . 1 1 9 9 PHE H H 9 8.360 8.360 7.638 0.722 25470
13 1 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.211 -0.111 25470
14 1 . 1 1 10 10 ARG H H 10 8.070 8.070 7.564 0.506 25470
15 1 . 1 1 11 11 SER HA H 11 4.470 4.470 4.314 0.156 25470
16 1 . 1 1 11 11 SER H H 11 7.940 7.940 7.637 0.303 25470
17 1 . 1 1 12 12 MET HA H 12 4.410 4.410 4.291 0.119 25470
18 1 . 1 1 12 12 MET H H 12 7.690 7.690 7.550 0.140 25470
19 1 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.752 0.158 25470
20 1 . 1 1 13 13 PHE H H 13 7.680 7.680 7.546 0.134 25470
21 1 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.422 0.238 25470
22 1 . 1 1 15 15 SER HA H 15 4.690 4.690 4.375 0.315 25470
23 1 . 1 1 15 15 SER H H 15 8.340 8.340 8.410 -0.070 25470
24 1 . 1 1 16 16 SER HA H 16 4.670 4.670 4.446 0.224 25470
25 1 . 1 1 16 16 SER H H 16 8.380 8.380 7.756 0.624 25470
stop_
save_