data_18970
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18970
_Entry.PDB_ID 2M3N
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 18970
_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 VAL HA H 2 4.168 4.168 4.243 -0.075 18970
2 1 1 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.619 -0.129 18970
3 1 1 . 1 1 2 2 VAL CB C 2 33.010 33.010 31.948 1.062 18970
4 1 1 . 1 1 2 2 VAL H H 2 8.649 8.649 8.542 0.107 18970
5 1 1 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.581 -0.177 18970
6 1 1 . 1 1 3 3 ARG CA C 3 56.310 56.310 54.477 1.833 18970
7 1 1 . 1 1 3 3 ARG CB C 3 31.000 31.000 30.901 0.099 18970
8 1 1 . 1 1 3 3 ARG H H 3 8.674 8.674 8.415 0.259 18970
9 1 1 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.039 -0.079 18970
10 1 1 . 1 1 4 4 GLY H H 4 8.484 8.484 8.516 -0.032 18970
11 1 1 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.134 -0.473 18970
12 1 1 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.904 0.105 18970
13 1 1 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.957 6.543 18970
14 1 1 . 1 1 5 5 CYS H H 5 8.044 8.044 8.527 -0.483 18970
15 1 1 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.945 0.164 18970
16 1 1 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.345 0.345 18970
17 1 1 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.923 -0.763 18970
18 1 1 . 1 1 6 6 TRP H H 6 7.227 7.227 8.413 -1.186 18970
19 1 1 . 1 1 7 7 THR HA H 7 4.330 4.330 4.269 0.061 18970
20 1 1 . 1 1 7 7 THR CA C 7 61.850 61.850 60.906 0.944 18970
21 1 1 . 1 1 7 7 THR CB C 7 70.440 70.440 69.975 0.465 18970
22 1 1 . 1 1 7 7 THR H H 7 9.252 9.252 8.666 0.586 18970
23 1 1 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.920 0.535 18970
24 1 1 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.715 0.166 18970
25 1 1 . 1 1 8 8 LYS H H 8 8.466 8.466 8.354 0.112 18970
26 1 1 . 1 1 9 9 SER HA H 9 4.388 4.388 4.595 -0.207 18970
27 1 1 . 1 1 9 9 SER CA C 9 57.590 57.590 57.443 0.147 18970
28 1 1 . 1 1 9 9 SER CB C 9 65.145 65.145 65.151 -0.006 18970
29 1 1 . 1 1 9 9 SER H H 9 7.508 7.508 8.084 -0.576 18970
30 1 1 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.924 -0.310 18970
31 1 1 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.132 -0.572 18970
32 1 1 . 1 1 10 10 TYR CB C 10 40.520 40.520 40.048 0.472 18970
33 1 1 . 1 1 10 10 TYR H H 10 8.492 8.492 8.338 0.154 18970
34 1 1 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.391 -0.099 18970
35 1 1 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.321 0.699 18970
36 1 1 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.176 1.774 18970
37 1 1 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.315 0.012 18970
38 1 1 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.901 0.849 18970
39 1 1 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.664 0.226 18970
40 1 1 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.886 0.089 18970
41 1 1 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.877 0.403 18970
42 1 1 . 1 1 13 13 LYS H H 13 8.209 8.209 7.981 0.228 18970
43 1 1 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.639 -0.522 18970
44 1 1 . 1 1 14 14 PRO CA C 14 62.750 62.750 62.999 -0.249 18970
45 1 1 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.286 -0.202 18970
46 1 1 . 1 1 15 15 CYS CA C 15 55.390 55.390 58.320 -2.930 18970
47 1 1 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.370 12.725 18970
48 1 1 . 1 1 15 15 CYS H H 15 7.860 7.860 8.221 -0.361 18970
49 1 1 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.701 -0.090 18970
50 1 1 . 1 1 16 16 PHE CA C 16 57.680 57.680 56.385 1.295 18970
51 1 1 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.884 -0.754 18970
52 1 1 . 1 1 16 16 PHE H H 16 8.345 8.345 8.053 0.292 18970
53 1 1 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.300 -0.312 18970
54 1 1 . 1 1 17 17 VAL CA C 17 62.070 62.070 62.895 -0.826 18970
55 1 1 . 1 1 17 17 VAL CB C 17 33.360 33.360 30.343 3.017 18970
56 1 1 . 1 1 17 17 VAL H H 17 8.049 8.049 8.630 -0.581 18970
57 1 2 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.390 -0.222 18970
58 1 2 . 1 1 2 2 VAL CA C 2 62.490 62.490 61.806 0.684 18970
59 1 2 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.684 0.326 18970
60 1 2 . 1 1 2 2 VAL H H 2 8.649 8.649 8.443 0.206 18970
61 1 2 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.614 -0.210 18970
62 1 2 . 1 1 3 3 ARG CA C 3 56.310 56.310 54.955 1.355 18970
63 1 2 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.821 -0.821 18970
64 1 2 . 1 1 3 3 ARG H H 3 8.674 8.674 8.529 0.145 18970
65 1 2 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.447 -0.487 18970
66 1 2 . 1 1 4 4 GLY H H 4 8.484 8.484 8.472 0.012 18970
67 1 2 . 1 1 5 5 CYS HA H 5 4.661 4.661 4.777 -0.116 18970
68 1 2 . 1 1 5 5 CYS CA C 5 57.010 57.010 58.423 -1.413 18970
69 1 2 . 1 1 5 5 CYS CB C 5 37.500 37.500 28.793 8.707 18970
70 1 2 . 1 1 5 5 CYS H H 5 8.044 8.044 8.323 -0.279 18970
71 1 2 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.854 0.255 18970
72 1 2 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.511 0.179 18970
73 1 2 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.544 -0.384 18970
74 1 2 . 1 1 6 6 TRP H H 6 7.227 7.227 8.315 -1.088 18970
75 1 2 . 1 1 7 7 THR HA H 7 4.330 4.330 4.375 -0.045 18970
76 1 2 . 1 1 7 7 THR CA C 7 61.850 61.850 61.072 0.778 18970
77 1 2 . 1 1 7 7 THR CB C 7 70.440 70.440 69.863 0.577 18970
78 1 2 . 1 1 7 7 THR H H 7 9.252 9.252 8.684 0.568 18970
79 1 2 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.839 0.616 18970
80 1 2 . 1 1 8 8 LYS CA C 8 55.880 55.880 56.216 -0.336 18970
81 1 2 . 1 1 8 8 LYS H H 8 8.466 8.466 8.489 -0.023 18970
82 1 2 . 1 1 9 9 SER HA H 9 4.388 4.388 4.346 0.042 18970
83 1 2 . 1 1 9 9 SER CA C 9 57.590 57.590 56.437 1.153 18970
84 1 2 . 1 1 9 9 SER CB C 9 65.145 65.145 65.171 -0.026 18970
85 1 2 . 1 1 9 9 SER H H 9 7.508 7.508 7.639 -0.131 18970
86 1 2 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.728 -0.114 18970
87 1 2 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.591 -0.031 18970
88 1 2 . 1 1 10 10 TYR CB C 10 40.520 40.520 38.849 1.671 18970
89 1 2 . 1 1 10 10 TYR H H 10 8.492 8.492 8.260 0.232 18970
90 1 2 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.863 -0.571 18970
91 1 2 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.203 0.817 18970
92 1 2 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.235 1.715 18970
93 1 2 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.200 0.127 18970
94 1 2 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.368 1.382 18970
95 1 2 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.120 0.770 18970
96 1 2 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.939 0.036 18970
97 1 2 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.929 0.351 18970
98 1 2 . 1 1 13 13 LYS H H 13 8.209 8.209 7.986 0.223 18970
99 1 2 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.723 -0.606 18970
100 1 2 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.282 -0.532 18970
101 1 2 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.494 -0.410 18970
102 1 2 . 1 1 15 15 CYS CA C 15 55.390 55.390 60.471 -5.081 18970
103 1 2 . 1 1 15 15 CYS CB C 15 41.095 41.095 27.777 13.318 18970
104 1 2 . 1 1 15 15 CYS H H 15 7.860 7.860 8.423 -0.563 18970
105 1 2 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.569 0.042 18970
106 1 2 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.729 -0.049 18970
107 1 2 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.577 -0.447 18970
108 1 2 . 1 1 16 16 PHE H H 16 8.345 8.345 8.627 -0.282 18970
109 1 2 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.309 0.679 18970
110 1 2 . 1 1 17 17 VAL CA C 17 62.070 62.070 62.242 -0.172 18970
111 1 2 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.575 1.785 18970
112 1 2 . 1 1 17 17 VAL H H 17 8.049 8.049 7.532 0.517 18970
113 1 3 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.014 0.154 18970
114 1 3 . 1 1 2 2 VAL CA C 2 62.490 62.490 63.647 -1.157 18970
115 1 3 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.436 0.574 18970
116 1 3 . 1 1 2 2 VAL H H 2 8.649 8.649 7.783 0.866 18970
117 1 3 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.000 0.404 18970
118 1 3 . 1 1 3 3 ARG CA C 3 56.310 56.310 57.435 -1.125 18970
119 1 3 . 1 1 3 3 ARG CB C 3 31.000 31.000 28.152 2.848 18970
120 1 3 . 1 1 3 3 ARG H H 3 8.674 8.674 8.505 0.169 18970
121 1 3 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.439 -0.479 18970
122 1 3 . 1 1 4 4 GLY H H 4 8.484 8.484 7.942 0.542 18970
123 1 3 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.047 -0.386 18970
124 1 3 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.912 0.098 18970
125 1 3 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.302 7.198 18970
126 1 3 . 1 1 5 5 CYS H H 5 8.044 8.044 8.312 -0.268 18970
127 1 3 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.999 0.110 18970
128 1 3 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.309 0.381 18970
129 1 3 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.559 -0.399 18970
130 1 3 . 1 1 6 6 TRP H H 6 7.227 7.227 8.378 -1.151 18970
131 1 3 . 1 1 7 7 THR HA H 7 4.330 4.330 4.089 0.241 18970
132 1 3 . 1 1 7 7 THR CA C 7 61.850 61.850 60.656 1.194 18970
133 1 3 . 1 1 7 7 THR CB C 7 70.440 70.440 69.953 0.487 18970
134 1 3 . 1 1 7 7 THR H H 7 9.252 9.252 8.605 0.647 18970
135 1 3 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.823 0.632 18970
136 1 3 . 1 1 8 8 LYS CA C 8 55.880 55.880 54.867 1.013 18970
137 1 3 . 1 1 8 8 LYS H H 8 8.466 8.466 8.258 0.208 18970
138 1 3 . 1 1 9 9 SER HA H 9 4.388 4.388 4.272 0.116 18970
139 1 3 . 1 1 9 9 SER CA C 9 57.590 57.590 56.469 1.121 18970
140 1 3 . 1 1 9 9 SER CB C 9 65.145 65.145 65.257 -0.112 18970
141 1 3 . 1 1 9 9 SER H H 9 7.508 7.508 7.629 -0.121 18970
142 1 3 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.781 -0.167 18970
143 1 3 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.425 0.135 18970
144 1 3 . 1 1 10 10 TYR CB C 10 40.520 40.520 38.784 1.736 18970
145 1 3 . 1 1 10 10 TYR H H 10 8.492 8.492 8.184 0.308 18970
146 1 3 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.915 -0.623 18970
147 1 3 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.306 0.714 18970
148 1 3 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.410 1.540 18970
149 1 3 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.353 -0.026 18970
150 1 3 . 1 1 12 12 PRO CA C 12 63.750 63.750 63.205 0.545 18970
151 1 3 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.323 0.567 18970
152 1 3 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.962 0.013 18970
153 1 3 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.955 0.325 18970
154 1 3 . 1 1 13 13 LYS H H 13 8.209 8.209 8.511 -0.302 18970
155 1 3 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.767 -0.650 18970
156 1 3 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.322 -0.572 18970
157 1 3 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.458 -0.374 18970
158 1 3 . 1 1 15 15 CYS CA C 15 55.390 55.390 58.916 -3.526 18970
159 1 3 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.104 12.991 18970
160 1 3 . 1 1 15 15 CYS H H 15 7.860 7.860 8.479 -0.619 18970
161 1 3 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.853 -0.242 18970
162 1 3 . 1 1 16 16 PHE CA C 16 57.680 57.680 56.884 0.796 18970
163 1 3 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.640 -0.510 18970
164 1 3 . 1 1 16 16 PHE H H 16 8.345 8.345 8.180 0.166 18970
165 1 3 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.783 0.205 18970
166 1 3 . 1 1 17 17 VAL CA C 17 62.070 62.070 63.730 -1.660 18970
167 1 3 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.458 1.902 18970
168 1 3 . 1 1 17 17 VAL H H 17 8.049 8.049 8.677 -0.628 18970
169 1 4 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.463 -0.295 18970
170 1 4 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.228 0.262 18970
171 1 4 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.640 0.370 18970
172 1 4 . 1 1 2 2 VAL H H 2 8.649 8.649 8.315 0.334 18970
173 1 4 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.610 -0.206 18970
174 1 4 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.089 1.221 18970
175 1 4 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.880 -0.879 18970
176 1 4 . 1 1 3 3 ARG H H 3 8.674 8.674 8.590 0.084 18970
177 1 4 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.127 -0.167 18970
178 1 4 . 1 1 4 4 GLY H H 4 8.484 8.484 8.700 -0.216 18970
179 1 4 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.131 -0.470 18970
180 1 4 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.947 0.063 18970
181 1 4 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.376 7.124 18970
182 1 4 . 1 1 5 5 CYS H H 5 8.044 8.044 8.663 -0.619 18970
183 1 4 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.896 0.213 18970
184 1 4 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.405 0.285 18970
185 1 4 . 1 1 6 6 TRP CB C 6 32.160 32.160 33.017 -0.857 18970
186 1 4 . 1 1 6 6 TRP H H 6 7.227 7.227 8.613 -1.386 18970
187 1 4 . 1 1 7 7 THR HA H 7 4.330 4.330 4.284 0.046 18970
188 1 4 . 1 1 7 7 THR CA C 7 61.850 61.850 60.798 1.052 18970
189 1 4 . 1 1 7 7 THR CB C 7 70.440 70.440 68.290 2.150 18970
190 1 4 . 1 1 7 7 THR H H 7 9.252 9.252 8.879 0.373 18970
191 1 4 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.968 0.487 18970
192 1 4 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.632 0.248 18970
193 1 4 . 1 1 8 8 LYS H H 8 8.466 8.466 7.933 0.533 18970
194 1 4 . 1 1 9 9 SER HA H 9 4.388 4.388 4.476 -0.088 18970
195 1 4 . 1 1 9 9 SER CA C 9 57.590 57.590 57.573 0.017 18970
196 1 4 . 1 1 9 9 SER CB C 9 65.145 65.145 64.599 0.546 18970
197 1 4 . 1 1 9 9 SER H H 9 7.508 7.508 7.939 -0.431 18970
198 1 4 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.903 -0.289 18970
199 1 4 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.228 -0.668 18970
200 1 4 . 1 1 10 10 TYR CB C 10 40.520 40.520 40.094 0.426 18970
201 1 4 . 1 1 10 10 TYR H H 10 8.492 8.492 8.482 0.009 18970
202 1 4 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.466 -0.174 18970
203 1 4 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.506 0.514 18970
204 1 4 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.059 1.891 18970
205 1 4 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.647 -0.320 18970
206 1 4 . 1 1 12 12 PRO CA C 12 63.750 63.750 61.814 1.936 18970
207 1 4 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.714 0.176 18970
208 1 4 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.921 0.054 18970
209 1 4 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.882 0.398 18970
210 1 4 . 1 1 13 13 LYS H H 13 8.209 8.209 7.718 0.491 18970
211 1 4 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.736 -0.619 18970
212 1 4 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.245 -0.495 18970
213 1 4 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.429 -0.345 18970
214 1 4 . 1 1 15 15 CYS CA C 15 55.390 55.390 59.686 -4.296 18970
215 1 4 . 1 1 15 15 CYS CB C 15 41.095 41.095 25.934 15.161 18970
216 1 4 . 1 1 15 15 CYS H H 15 7.860 7.860 8.367 -0.507 18970
217 1 4 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.770 -0.159 18970
218 1 4 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.019 0.661 18970
219 1 4 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.842 -0.712 18970
220 1 4 . 1 1 16 16 PHE H H 16 8.345 8.345 8.172 0.173 18970
221 1 4 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.920 0.068 18970
222 1 4 . 1 1 17 17 VAL CA C 17 62.070 62.070 63.702 -1.632 18970
223 1 4 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.231 2.129 18970
224 1 4 . 1 1 17 17 VAL H H 17 8.049 8.049 7.540 0.509 18970
225 1 5 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.053 0.115 18970
226 1 5 . 1 1 2 2 VAL CA C 2 62.490 62.490 63.598 -1.108 18970
227 1 5 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.424 0.586 18970
228 1 5 . 1 1 2 2 VAL H H 2 8.649 8.649 8.159 0.490 18970
229 1 5 . 1 1 3 3 ARG HA H 3 4.404 4.404 3.977 0.427 18970
230 1 5 . 1 1 3 3 ARG CA C 3 56.310 56.310 58.019 -1.709 18970
231 1 5 . 1 1 3 3 ARG CB C 3 31.000 31.000 29.004 1.996 18970
232 1 5 . 1 1 3 3 ARG H H 3 8.674 8.674 9.180 -0.506 18970
233 1 5 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.066 -0.106 18970
234 1 5 . 1 1 4 4 GLY H H 4 8.484 8.484 7.971 0.513 18970
235 1 5 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.119 -0.458 18970
236 1 5 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.669 0.341 18970
237 1 5 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.686 6.814 18970
238 1 5 . 1 1 5 5 CYS H H 5 8.044 8.044 7.971 0.073 18970
239 1 5 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.969 0.140 18970
240 1 5 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.199 0.491 18970
241 1 5 . 1 1 6 6 TRP CB C 6 32.160 32.160 31.991 0.169 18970
242 1 5 . 1 1 6 6 TRP H H 6 7.227 7.227 8.161 -0.934 18970
243 1 5 . 1 1 7 7 THR HA H 7 4.330 4.330 4.219 0.111 18970
244 1 5 . 1 1 7 7 THR CA C 7 61.850 61.850 60.894 0.956 18970
245 1 5 . 1 1 7 7 THR CB C 7 70.440 70.440 69.412 1.028 18970
246 1 5 . 1 1 7 7 THR H H 7 9.252 9.252 8.773 0.479 18970
247 1 5 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.895 0.560 18970
248 1 5 . 1 1 8 8 LYS CA C 8 55.880 55.880 54.755 1.125 18970
249 1 5 . 1 1 8 8 LYS H H 8 8.466 8.466 8.234 0.232 18970
250 1 5 . 1 1 9 9 SER HA H 9 4.388 4.388 4.608 -0.220 18970
251 1 5 . 1 1 9 9 SER CA C 9 57.590 57.590 56.949 0.641 18970
252 1 5 . 1 1 9 9 SER CB C 9 65.145 65.145 64.474 0.671 18970
253 1 5 . 1 1 9 9 SER H H 9 7.508 7.508 7.960 -0.452 18970
254 1 5 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.960 -0.346 18970
255 1 5 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.215 -0.655 18970
256 1 5 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.581 0.938 18970
257 1 5 . 1 1 10 10 TYR H H 10 8.492 8.492 8.400 0.092 18970
258 1 5 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.585 -0.293 18970
259 1 5 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.481 0.539 18970
260 1 5 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.227 1.723 18970
261 1 5 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.493 -0.166 18970
262 1 5 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.282 1.468 18970
263 1 5 . 1 1 12 12 PRO CB C 12 32.890 32.890 33.338 -0.448 18970
264 1 5 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.990 -0.015 18970
265 1 5 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.879 0.401 18970
266 1 5 . 1 1 13 13 LYS H H 13 8.209 8.209 8.572 -0.363 18970
267 1 5 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.813 -0.696 18970
268 1 5 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.111 -0.360 18970
269 1 5 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.290 -0.206 18970
270 1 5 . 1 1 15 15 CYS CA C 15 55.390 55.390 61.284 -5.894 18970
271 1 5 . 1 1 15 15 CYS CB C 15 41.095 41.095 25.469 15.626 18970
272 1 5 . 1 1 15 15 CYS H H 15 7.860 7.860 8.253 -0.393 18970
273 1 5 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.562 0.049 18970
274 1 5 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.237 0.443 18970
275 1 5 . 1 1 16 16 PHE CB C 16 40.130 40.130 41.848 -1.718 18970
276 1 5 . 1 1 16 16 PHE H H 16 8.345 8.345 8.043 0.302 18970
277 1 5 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.231 -0.243 18970
278 1 5 . 1 1 17 17 VAL CA C 17 62.070 62.070 63.184 -1.114 18970
279 1 5 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.761 1.599 18970
280 1 5 . 1 1 17 17 VAL H H 17 8.049 8.049 8.671 -0.622 18970
281 1 6 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.549 -0.381 18970
282 1 6 . 1 1 2 2 VAL CA C 2 62.490 62.490 61.834 0.657 18970
283 1 6 . 1 1 2 2 VAL CB C 2 33.010 33.010 33.028 -0.018 18970
284 1 6 . 1 1 2 2 VAL H H 2 8.649 8.649 8.301 0.348 18970
285 1 6 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.464 -0.060 18970
286 1 6 . 1 1 3 3 ARG CA C 3 56.310 56.310 56.103 0.207 18970
287 1 6 . 1 1 3 3 ARG CB C 3 31.000 31.000 32.791 -1.791 18970
288 1 6 . 1 1 3 3 ARG H H 3 8.674 8.674 8.632 0.042 18970
289 1 6 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.147 -0.187 18970
290 1 6 . 1 1 4 4 GLY H H 4 8.484 8.484 8.597 -0.113 18970
291 1 6 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.174 -0.513 18970
292 1 6 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.619 0.391 18970
293 1 6 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.905 6.595 18970
294 1 6 . 1 1 5 5 CYS H H 5 8.044 8.044 8.178 -0.134 18970
295 1 6 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.855 0.254 18970
296 1 6 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.371 0.319 18970
297 1 6 . 1 1 6 6 TRP CB C 6 32.160 32.160 33.016 -0.856 18970
298 1 6 . 1 1 6 6 TRP H H 6 7.227 7.227 8.484 -1.257 18970
299 1 6 . 1 1 7 7 THR HA H 7 4.330 4.330 4.308 0.022 18970
300 1 6 . 1 1 7 7 THR CA C 7 61.850 61.850 60.817 1.033 18970
301 1 6 . 1 1 7 7 THR CB C 7 70.440 70.440 69.067 1.373 18970
302 1 6 . 1 1 7 7 THR H H 7 9.252 9.252 8.718 0.534 18970
303 1 6 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.113 0.342 18970
304 1 6 . 1 1 8 8 LYS CA C 8 55.880 55.880 56.145 -0.265 18970
305 1 6 . 1 1 8 8 LYS H H 8 8.466 8.466 8.356 0.110 18970
306 1 6 . 1 1 9 9 SER HA H 9 4.388 4.388 4.561 -0.173 18970
307 1 6 . 1 1 9 9 SER CA C 9 57.590 57.590 57.175 0.415 18970
308 1 6 . 1 1 9 9 SER CB C 9 65.145 65.145 64.653 0.492 18970
309 1 6 . 1 1 9 9 SER H H 9 7.508 7.508 7.924 -0.416 18970
310 1 6 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.973 -0.359 18970
311 1 6 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.974 -0.414 18970
312 1 6 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.641 0.879 18970
313 1 6 . 1 1 10 10 TYR H H 10 8.492 8.492 8.402 0.090 18970
314 1 6 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.646 -0.353 18970
315 1 6 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.350 0.670 18970
316 1 6 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.164 1.786 18970
317 1 6 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.443 -0.116 18970
318 1 6 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.026 1.724 18970
319 1 6 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.594 0.296 18970
320 1 6 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.950 0.025 18970
321 1 6 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.889 0.391 18970
322 1 6 . 1 1 13 13 LYS H H 13 8.209 8.209 7.755 0.454 18970
323 1 6 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.762 -0.645 18970
324 1 6 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.339 -0.589 18970
325 1 6 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.624 -0.540 18970
326 1 6 . 1 1 15 15 CYS CA C 15 55.390 55.390 57.773 -2.383 18970
327 1 6 . 1 1 15 15 CYS CB C 15 41.095 41.095 29.692 11.403 18970
328 1 6 . 1 1 15 15 CYS H H 15 7.860 7.860 8.301 -0.441 18970
329 1 6 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.993 -0.382 18970
330 1 6 . 1 1 16 16 PHE CA C 16 57.680 57.680 56.365 1.315 18970
331 1 6 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.293 -0.163 18970
332 1 6 . 1 1 16 16 PHE H H 16 8.345 8.345 7.623 0.722 18970
333 1 6 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.271 -0.283 18970
334 1 6 . 1 1 17 17 VAL CA C 17 62.070 62.070 62.177 -0.107 18970
335 1 6 . 1 1 17 17 VAL CB C 17 33.360 33.360 34.663 -1.302 18970
336 1 6 . 1 1 17 17 VAL H H 17 8.049 8.049 8.497 -0.448 18970
337 1 7 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.350 -0.182 18970
338 1 7 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.105 0.385 18970
339 1 7 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.821 0.189 18970
340 1 7 . 1 1 2 2 VAL H H 2 8.649 8.649 8.457 0.192 18970
341 1 7 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.628 -0.224 18970
342 1 7 . 1 1 3 3 ARG CA C 3 56.310 56.310 54.687 1.623 18970
343 1 7 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.334 -0.334 18970
344 1 7 . 1 1 3 3 ARG H H 3 8.674 8.674 8.477 0.197 18970
345 1 7 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.667 -0.708 18970
346 1 7 . 1 1 4 4 GLY H H 4 8.484 8.484 8.419 0.065 18970
347 1 7 . 1 1 5 5 CYS HA H 5 4.661 4.661 4.934 -0.273 18970
348 1 7 . 1 1 5 5 CYS CA C 5 57.010 57.010 58.117 -1.107 18970
349 1 7 . 1 1 5 5 CYS CB C 5 37.500 37.500 29.198 8.302 18970
350 1 7 . 1 1 5 5 CYS H H 5 8.044 8.044 8.299 -0.255 18970
351 1 7 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.878 0.231 18970
352 1 7 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.145 0.545 18970
353 1 7 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.852 -0.692 18970
354 1 7 . 1 1 6 6 TRP H H 6 7.227 7.227 8.505 -1.278 18970
355 1 7 . 1 1 7 7 THR HA H 7 4.330 4.330 4.353 -0.023 18970
356 1 7 . 1 1 7 7 THR CA C 7 61.850 61.850 60.780 1.070 18970
357 1 7 . 1 1 7 7 THR CB C 7 70.440 70.440 69.685 0.755 18970
358 1 7 . 1 1 7 7 THR H H 7 9.252 9.252 8.675 0.577 18970
359 1 7 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.951 0.504 18970
360 1 7 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.391 0.489 18970
361 1 7 . 1 1 8 8 LYS H H 8 8.466 8.466 8.481 -0.015 18970
362 1 7 . 1 1 9 9 SER HA H 9 4.388 4.388 4.624 -0.236 18970
363 1 7 . 1 1 9 9 SER CA C 9 57.590 57.590 57.082 0.508 18970
364 1 7 . 1 1 9 9 SER CB C 9 65.145 65.145 65.240 -0.095 18970
365 1 7 . 1 1 9 9 SER H H 9 7.508 7.508 7.794 -0.286 18970
366 1 7 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.818 -0.204 18970
367 1 7 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.363 -0.803 18970
368 1 7 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.602 0.917 18970
369 1 7 . 1 1 10 10 TYR H H 10 8.492 8.492 8.381 0.111 18970
370 1 7 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.577 -0.285 18970
371 1 7 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.339 0.681 18970
372 1 7 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.208 1.742 18970
373 1 7 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.253 0.074 18970
374 1 7 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.168 1.582 18970
375 1 7 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.775 0.115 18970
376 1 7 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.960 0.015 18970
377 1 7 . 1 1 13 13 LYS CA C 13 53.280 53.280 53.019 0.261 18970
378 1 7 . 1 1 13 13 LYS H H 13 8.209 8.209 7.637 0.572 18970
379 1 7 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.764 -0.647 18970
380 1 7 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.140 -0.390 18970
381 1 7 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.393 -0.309 18970
382 1 7 . 1 1 15 15 CYS CA C 15 55.390 55.390 57.741 -2.351 18970
383 1 7 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.613 12.482 18970
384 1 7 . 1 1 15 15 CYS H H 15 7.860 7.860 8.070 -0.210 18970
385 1 7 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.748 -0.137 18970
386 1 7 . 1 1 16 16 PHE CA C 16 57.680 57.680 58.066 -0.386 18970
387 1 7 . 1 1 16 16 PHE CB C 16 40.130 40.130 38.796 1.334 18970
388 1 7 . 1 1 16 16 PHE H H 16 8.345 8.345 8.470 -0.125 18970
389 1 7 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.431 -0.443 18970
390 1 7 . 1 1 17 17 VAL CA C 17 62.070 62.070 61.117 0.953 18970
391 1 7 . 1 1 17 17 VAL CB C 17 33.360 33.360 33.702 -0.342 18970
392 1 7 . 1 1 17 17 VAL H H 17 8.049 8.049 8.497 -0.448 18970
393 1 8 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.584 -0.416 18970
394 1 8 . 1 1 2 2 VAL CA C 2 62.490 62.490 61.481 1.008 18970
395 1 8 . 1 1 2 2 VAL CB C 2 33.010 33.010 34.750 -1.740 18970
396 1 8 . 1 1 2 2 VAL H H 2 8.649 8.649 8.807 -0.158 18970
397 1 8 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.594 -0.190 18970
398 1 8 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.466 0.844 18970
399 1 8 . 1 1 3 3 ARG CB C 3 31.000 31.000 30.257 0.743 18970
400 1 8 . 1 1 3 3 ARG H H 3 8.674 8.674 8.601 0.073 18970
401 1 8 . 1 1 4 4 GLY CA C 4 44.960 44.960 44.907 0.052 18970
402 1 8 . 1 1 4 4 GLY H H 4 8.484 8.484 8.071 0.413 18970
403 1 8 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.235 -0.574 18970
404 1 8 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.481 0.529 18970
405 1 8 . 1 1 5 5 CYS CB C 5 37.500 37.500 31.050 6.450 18970
406 1 8 . 1 1 5 5 CYS H H 5 8.044 8.044 8.246 -0.202 18970
407 1 8 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.967 0.142 18970
408 1 8 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.163 0.527 18970
409 1 8 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.208 -0.048 18970
410 1 8 . 1 1 6 6 TRP H H 6 7.227 7.227 8.691 -1.464 18970
411 1 8 . 1 1 7 7 THR HA H 7 4.330 4.330 4.233 0.097 18970
412 1 8 . 1 1 7 7 THR CA C 7 61.850 61.850 61.212 0.637 18970
413 1 8 . 1 1 7 7 THR CB C 7 70.440 70.440 70.065 0.375 18970
414 1 8 . 1 1 7 7 THR H H 7 9.252 9.252 8.774 0.478 18970
415 1 8 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.380 0.075 18970
416 1 8 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.581 0.299 18970
417 1 8 . 1 1 8 8 LYS H H 8 8.466 8.466 8.401 0.065 18970
418 1 8 . 1 1 9 9 SER HA H 9 4.388 4.388 4.590 -0.202 18970
419 1 8 . 1 1 9 9 SER CA C 9 57.590 57.590 57.447 0.143 18970
420 1 8 . 1 1 9 9 SER CB C 9 65.145 65.145 65.324 -0.179 18970
421 1 8 . 1 1 9 9 SER H H 9 7.508 7.508 8.201 -0.693 18970
422 1 8 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.895 -0.281 18970
423 1 8 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.894 -0.334 18970
424 1 8 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.834 0.686 18970
425 1 8 . 1 1 10 10 TYR H H 10 8.492 8.492 8.373 0.119 18970
426 1 8 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.494 -0.202 18970
427 1 8 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.093 0.927 18970
428 1 8 . 1 1 11 11 PRO CB C 11 32.950 32.950 30.993 1.957 18970
429 1 8 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.228 0.099 18970
430 1 8 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.901 0.849 18970
431 1 8 . 1 1 12 12 PRO CB C 12 32.890 32.890 31.963 0.927 18970
432 1 8 . 1 1 13 13 LYS HA H 13 4.975 4.975 5.036 -0.061 18970
433 1 8 . 1 1 13 13 LYS CA C 13 53.280 53.280 53.203 0.077 18970
434 1 8 . 1 1 13 13 LYS H H 13 8.209 8.209 7.825 0.384 18970
435 1 8 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.831 -0.714 18970
436 1 8 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.298 -0.548 18970
437 1 8 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.714 -0.630 18970
438 1 8 . 1 1 15 15 CYS CA C 15 55.390 55.390 56.913 -1.523 18970
439 1 8 . 1 1 15 15 CYS CB C 15 41.095 41.095 24.646 16.449 18970
440 1 8 . 1 1 15 15 CYS H H 15 7.860 7.860 8.700 -0.840 18970
441 1 8 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.731 -0.120 18970
442 1 8 . 1 1 16 16 PHE CA C 16 57.680 57.680 58.105 -0.425 18970
443 1 8 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.734 0.396 18970
444 1 8 . 1 1 16 16 PHE H H 16 8.345 8.345 8.398 -0.053 18970
445 1 8 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.375 0.613 18970
446 1 8 . 1 1 17 17 VAL CA C 17 62.070 62.070 65.172 -3.102 18970
447 1 8 . 1 1 17 17 VAL CB C 17 33.360 33.360 30.658 2.702 18970
448 1 8 . 1 1 17 17 VAL H H 17 8.049 8.049 8.500 -0.451 18970
449 1 9 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.149 0.019 18970
450 1 9 . 1 1 2 2 VAL CA C 2 62.490 62.490 63.472 -0.982 18970
451 1 9 . 1 1 2 2 VAL CB C 2 33.010 33.010 33.171 -0.161 18970
452 1 9 . 1 1 2 2 VAL H H 2 8.649 8.649 8.663 -0.014 18970
453 1 9 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.712 -0.308 18970
454 1 9 . 1 1 3 3 ARG CA C 3 56.310 56.310 54.596 1.714 18970
455 1 9 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.422 -0.421 18970
456 1 9 . 1 1 3 3 ARG H H 3 8.674 8.674 8.067 0.607 18970
457 1 9 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.233 -0.273 18970
458 1 9 . 1 1 4 4 GLY H H 4 8.484 8.484 8.428 0.056 18970
459 1 9 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.034 -0.373 18970
460 1 9 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.129 0.881 18970
461 1 9 . 1 1 5 5 CYS CB C 5 37.500 37.500 29.825 7.675 18970
462 1 9 . 1 1 5 5 CYS H H 5 8.044 8.044 8.113 -0.069 18970
463 1 9 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.766 0.343 18970
464 1 9 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.333 0.357 18970
465 1 9 . 1 1 6 6 TRP CB C 6 32.160 32.160 31.889 0.271 18970
466 1 9 . 1 1 6 6 TRP H H 6 7.227 7.227 8.424 -1.197 18970
467 1 9 . 1 1 7 7 THR HA H 7 4.330 4.330 4.220 0.110 18970
468 1 9 . 1 1 7 7 THR CA C 7 61.850 61.850 60.944 0.906 18970
469 1 9 . 1 1 7 7 THR CB C 7 70.440 70.440 69.966 0.474 18970
470 1 9 . 1 1 7 7 THR H H 7 9.252 9.252 8.750 0.502 18970
471 1 9 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.126 0.329 18970
472 1 9 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.560 0.320 18970
473 1 9 . 1 1 8 8 LYS H H 8 8.466 8.466 8.344 0.122 18970
474 1 9 . 1 1 9 9 SER HA H 9 4.388 4.388 4.494 -0.106 18970
475 1 9 . 1 1 9 9 SER CA C 9 57.590 57.590 57.049 0.541 18970
476 1 9 . 1 1 9 9 SER CB C 9 65.145 65.145 65.262 -0.117 18970
477 1 9 . 1 1 9 9 SER H H 9 7.508 7.508 7.890 -0.382 18970
478 1 9 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.726 -0.112 18970
479 1 9 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.819 -0.259 18970
480 1 9 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.166 1.355 18970
481 1 9 . 1 1 10 10 TYR H H 10 8.492 8.492 8.329 0.163 18970
482 1 9 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.865 -0.573 18970
483 1 9 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.304 0.716 18970
484 1 9 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.299 1.651 18970
485 1 9 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.173 0.154 18970
486 1 9 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.319 1.431 18970
487 1 9 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.240 0.650 18970
488 1 9 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.951 0.024 18970
489 1 9 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.927 0.353 18970
490 1 9 . 1 1 13 13 LYS H H 13 8.209 8.209 7.699 0.510 18970
491 1 9 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.659 -0.542 18970
492 1 9 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.190 -0.440 18970
493 1 9 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.214 -0.130 18970
494 1 9 . 1 1 15 15 CYS CA C 15 55.390 55.390 59.701 -4.311 18970
495 1 9 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.146 12.948 18970
496 1 9 . 1 1 15 15 CYS H H 15 7.860 7.860 8.107 -0.247 18970
497 1 9 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.600 0.011 18970
498 1 9 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.794 -0.113 18970
499 1 9 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.304 -0.174 18970
500 1 9 . 1 1 16 16 PHE H H 16 8.345 8.345 8.499 -0.154 18970
501 1 9 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.188 -0.200 18970
502 1 9 . 1 1 17 17 VAL CA C 17 62.070 62.070 62.773 -0.703 18970
503 1 9 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.361 1.999 18970
504 1 9 . 1 1 17 17 VAL H H 17 8.049 8.049 8.596 -0.547 18970
505 1 10 . 1 1 2 2 VAL HA H 2 4.168 4.168 3.705 0.463 18970
506 1 10 . 1 1 2 2 VAL CA C 2 62.490 62.490 63.633 -1.143 18970
507 1 10 . 1 1 2 2 VAL CB C 2 33.010 33.010 31.948 1.062 18970
508 1 10 . 1 1 2 2 VAL H H 2 8.649 8.649 8.541 0.108 18970
509 1 10 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.179 0.225 18970
510 1 10 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.988 0.322 18970
511 1 10 . 1 1 3 3 ARG CB C 3 31.000 31.000 29.635 1.365 18970
512 1 10 . 1 1 3 3 ARG H H 3 8.674 8.674 8.445 0.229 18970
513 1 10 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.059 -0.099 18970
514 1 10 . 1 1 4 4 GLY H H 4 8.484 8.484 8.426 0.058 18970
515 1 10 . 1 1 5 5 CYS HA H 5 4.661 4.661 4.854 -0.193 18970
516 1 10 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.633 -0.623 18970
517 1 10 . 1 1 5 5 CYS CB C 5 37.500 37.500 28.102 9.398 18970
518 1 10 . 1 1 5 5 CYS H H 5 8.044 8.044 7.935 0.109 18970
519 1 10 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.905 0.204 18970
520 1 10 . 1 1 6 6 TRP CA C 6 56.690 56.690 55.669 1.021 18970
521 1 10 . 1 1 6 6 TRP CB C 6 32.160 32.160 33.011 -0.851 18970
522 1 10 . 1 1 6 6 TRP H H 6 7.227 7.227 8.702 -1.475 18970
523 1 10 . 1 1 7 7 THR HA H 7 4.330 4.330 4.713 -0.383 18970
524 1 10 . 1 1 7 7 THR CA C 7 61.850 61.850 61.045 0.805 18970
525 1 10 . 1 1 7 7 THR CB C 7 70.440 70.440 70.149 0.291 18970
526 1 10 . 1 1 7 7 THR H H 7 9.252 9.252 8.702 0.550 18970
527 1 10 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.360 0.095 18970
528 1 10 . 1 1 8 8 LYS CA C 8 55.880 55.880 56.938 -1.058 18970
529 1 10 . 1 1 8 8 LYS H H 8 8.466 8.466 8.718 -0.252 18970
530 1 10 . 1 1 9 9 SER HA H 9 4.388 4.388 4.678 -0.290 18970
531 1 10 . 1 1 9 9 SER CA C 9 57.590 57.590 57.467 0.123 18970
532 1 10 . 1 1 9 9 SER CB C 9 65.145 65.145 65.425 -0.280 18970
533 1 10 . 1 1 9 9 SER H H 9 7.508 7.508 8.345 -0.837 18970
534 1 10 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.895 -0.281 18970
535 1 10 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.614 -0.054 18970
536 1 10 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.537 0.983 18970
537 1 10 . 1 1 10 10 TYR H H 10 8.492 8.492 8.363 0.129 18970
538 1 10 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.491 -0.199 18970
539 1 10 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.215 0.805 18970
540 1 10 . 1 1 11 11 PRO CB C 11 32.950 32.950 30.976 1.974 18970
541 1 10 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.616 -0.289 18970
542 1 10 . 1 1 12 12 PRO CA C 12 63.750 63.750 63.317 0.433 18970
543 1 10 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.093 0.797 18970
544 1 10 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.919 0.056 18970
545 1 10 . 1 1 13 13 LYS CA C 13 53.280 53.280 53.101 0.179 18970
546 1 10 . 1 1 13 13 LYS H H 13 8.209 8.209 8.339 -0.130 18970
547 1 10 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.371 -0.254 18970
548 1 10 . 1 1 14 14 PRO CA C 14 62.750 62.750 61.617 1.133 18970
549 1 10 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.341 -0.257 18970
550 1 10 . 1 1 15 15 CYS CA C 15 55.390 55.390 59.575 -4.185 18970
551 1 10 . 1 1 15 15 CYS CB C 15 41.095 41.095 26.167 14.928 18970
552 1 10 . 1 1 15 15 CYS H H 15 7.860 7.860 8.153 -0.293 18970
553 1 10 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.545 0.066 18970
554 1 10 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.719 -0.039 18970
555 1 10 . 1 1 16 16 PHE CB C 16 40.130 40.130 38.598 1.532 18970
556 1 10 . 1 1 16 16 PHE H H 16 8.345 8.345 8.637 -0.292 18970
557 1 10 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.370 -0.382 18970
558 1 10 . 1 1 17 17 VAL CA C 17 62.070 62.070 60.678 1.392 18970
559 1 10 . 1 1 17 17 VAL CB C 17 33.360 33.360 34.935 -1.575 18970
560 1 10 . 1 1 17 17 VAL H H 17 8.049 8.049 8.182 -0.133 18970
561 1 11 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.089 0.079 18970
562 1 11 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.634 -0.144 18970
563 1 11 . 1 1 2 2 VAL CB C 2 33.010 33.010 31.784 1.226 18970
564 1 11 . 1 1 2 2 VAL H H 2 8.649 8.649 8.209 0.440 18970
565 1 11 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.615 -0.211 18970
566 1 11 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.513 0.797 18970
567 1 11 . 1 1 3 3 ARG CB C 3 31.000 31.000 32.998 -1.998 18970
568 1 11 . 1 1 3 3 ARG H H 3 8.674 8.674 8.356 0.318 18970
569 1 11 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.062 -0.102 18970
570 1 11 . 1 1 4 4 GLY H H 4 8.484 8.484 8.697 -0.213 18970
571 1 11 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.015 -0.354 18970
572 1 11 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.873 -0.863 18970
573 1 11 . 1 1 5 5 CYS CB C 5 37.500 37.500 28.613 8.886 18970
574 1 11 . 1 1 5 5 CYS H H 5 8.044 8.044 8.158 -0.114 18970
575 1 11 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.936 0.173 18970
576 1 11 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.632 0.058 18970
577 1 11 . 1 1 6 6 TRP CB C 6 32.160 32.160 31.408 0.752 18970
578 1 11 . 1 1 6 6 TRP H H 6 7.227 7.227 8.449 -1.222 18970
579 1 11 . 1 1 7 7 THR HA H 7 4.330 4.330 4.196 0.134 18970
580 1 11 . 1 1 7 7 THR CA C 7 61.850 61.850 60.568 1.282 18970
581 1 11 . 1 1 7 7 THR CB C 7 70.440 70.440 69.874 0.567 18970
582 1 11 . 1 1 7 7 THR H H 7 9.252 9.252 8.618 0.634 18970
583 1 11 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.818 0.637 18970
584 1 11 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.650 0.230 18970
585 1 11 . 1 1 8 8 LYS H H 8 8.466 8.466 8.313 0.153 18970
586 1 11 . 1 1 9 9 SER HA H 9 4.388 4.388 4.556 -0.168 18970
587 1 11 . 1 1 9 9 SER CA C 9 57.590 57.590 57.321 0.269 18970
588 1 11 . 1 1 9 9 SER CB C 9 65.145 65.145 64.774 0.371 18970
589 1 11 . 1 1 9 9 SER H H 9 7.508 7.508 7.933 -0.425 18970
590 1 11 . 1 1 10 10 TYR HA H 10 4.614 4.614 5.017 -0.403 18970
591 1 11 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.884 -0.324 18970
592 1 11 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.873 0.647 18970
593 1 11 . 1 1 10 10 TYR H H 10 8.492 8.492 8.356 0.136 18970
594 1 11 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.395 -0.103 18970
595 1 11 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.270 0.750 18970
596 1 11 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.165 1.785 18970
597 1 11 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.332 -0.005 18970
598 1 11 . 1 1 12 12 PRO CA C 12 63.750 63.750 63.298 0.452 18970
599 1 11 . 1 1 12 12 PRO CB C 12 32.890 32.890 31.887 1.003 18970
600 1 11 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.968 0.007 18970
601 1 11 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.962 0.318 18970
602 1 11 . 1 1 13 13 LYS H H 13 8.209 8.209 8.128 0.081 18970
603 1 11 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.779 -0.662 18970
604 1 11 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.077 -0.327 18970
605 1 11 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.603 -0.519 18970
606 1 11 . 1 1 15 15 CYS CA C 15 55.390 55.390 57.975 -2.585 18970
607 1 11 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.679 12.416 18970
608 1 11 . 1 1 15 15 CYS H H 15 7.860 7.860 8.382 -0.522 18970
609 1 11 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.648 -0.037 18970
610 1 11 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.821 -0.141 18970
611 1 11 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.848 0.282 18970
612 1 11 . 1 1 16 16 PHE H H 16 8.345 8.345 8.757 -0.412 18970
613 1 11 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.096 -0.108 18970
614 1 11 . 1 1 17 17 VAL CA C 17 62.070 62.070 61.805 0.265 18970
615 1 11 . 1 1 17 17 VAL CB C 17 33.360 33.360 30.501 2.859 18970
616 1 11 . 1 1 17 17 VAL H H 17 8.049 8.049 7.394 0.655 18970
617 1 12 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.542 -0.374 18970
618 1 12 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.319 0.171 18970
619 1 12 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.377 0.633 18970
620 1 12 . 1 1 2 2 VAL H H 2 8.649 8.649 8.646 0.003 18970
621 1 12 . 1 1 3 3 ARG HA H 3 4.404 4.404 3.964 0.440 18970
622 1 12 . 1 1 3 3 ARG CA C 3 56.310 56.310 57.300 -0.990 18970
623 1 12 . 1 1 3 3 ARG CB C 3 31.000 31.000 29.455 1.545 18970
624 1 12 . 1 1 3 3 ARG H H 3 8.674 8.674 8.947 -0.273 18970
625 1 12 . 1 1 4 4 GLY CA C 4 44.960 44.960 44.906 0.054 18970
626 1 12 . 1 1 4 4 GLY H H 4 8.484 8.484 8.192 0.292 18970
627 1 12 . 1 1 5 5 CYS HA H 5 4.661 4.661 4.771 -0.110 18970
628 1 12 . 1 1 5 5 CYS CA C 5 57.010 57.010 58.434 -1.424 18970
629 1 12 . 1 1 5 5 CYS CB C 5 37.500 37.500 28.867 8.633 18970
630 1 12 . 1 1 5 5 CYS H H 5 8.044 8.044 8.339 -0.295 18970
631 1 12 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.995 0.114 18970
632 1 12 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.315 0.375 18970
633 1 12 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.675 -0.515 18970
634 1 12 . 1 1 6 6 TRP H H 6 7.227 7.227 8.432 -1.205 18970
635 1 12 . 1 1 7 7 THR HA H 7 4.330 4.330 4.330 -0.000 18970
636 1 12 . 1 1 7 7 THR CA C 7 61.850 61.850 60.923 0.927 18970
637 1 12 . 1 1 7 7 THR CB C 7 70.440 70.440 70.210 0.230 18970
638 1 12 . 1 1 7 7 THR H H 7 9.252 9.252 8.730 0.522 18970
639 1 12 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.271 0.184 18970
640 1 12 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.392 0.488 18970
641 1 12 . 1 1 8 8 LYS H H 8 8.466 8.466 8.359 0.107 18970
642 1 12 . 1 1 9 9 SER HA H 9 4.388 4.388 4.575 -0.187 18970
643 1 12 . 1 1 9 9 SER CA C 9 57.590 57.590 57.307 0.283 18970
644 1 12 . 1 1 9 9 SER CB C 9 65.145 65.145 64.304 0.841 18970
645 1 12 . 1 1 9 9 SER H H 9 7.508 7.508 8.250 -0.742 18970
646 1 12 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.926 -0.312 18970
647 1 12 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.972 -0.412 18970
648 1 12 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.457 1.063 18970
649 1 12 . 1 1 10 10 TYR H H 10 8.492 8.492 8.415 0.077 18970
650 1 12 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.572 -0.280 18970
651 1 12 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.255 0.764 18970
652 1 12 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.206 1.744 18970
653 1 12 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.160 0.167 18970
654 1 12 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.389 1.361 18970
655 1 12 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.665 0.225 18970
656 1 12 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.995 -0.020 18970
657 1 12 . 1 1 13 13 LYS CA C 13 53.280 53.280 53.091 0.189 18970
658 1 12 . 1 1 13 13 LYS H H 13 8.209 8.209 7.690 0.519 18970
659 1 12 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.871 -0.754 18970
660 1 12 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.232 -0.482 18970
661 1 12 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.250 -0.166 18970
662 1 12 . 1 1 15 15 CYS CA C 15 55.390 55.390 60.300 -4.910 18970
663 1 12 . 1 1 15 15 CYS CB C 15 41.095 41.095 24.408 16.687 18970
664 1 12 . 1 1 15 15 CYS H H 15 7.860 7.860 8.292 -0.432 18970
665 1 12 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.776 -0.165 18970
666 1 12 . 1 1 16 16 PHE CA C 16 57.680 57.680 56.598 1.082 18970
667 1 12 . 1 1 16 16 PHE CB C 16 40.130 40.130 41.783 -1.653 18970
668 1 12 . 1 1 16 16 PHE H H 16 8.345 8.345 7.886 0.459 18970
669 1 12 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.116 -0.128 18970
670 1 12 . 1 1 17 17 VAL CA C 17 62.070 62.070 64.215 -2.145 18970
671 1 12 . 1 1 17 17 VAL CB C 17 33.360 33.360 32.141 1.219 18970
672 1 12 . 1 1 17 17 VAL H H 17 8.049 8.049 8.379 -0.330 18970
673 1 13 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.257 -0.089 18970
674 1 13 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.462 0.028 18970
675 1 13 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.388 0.622 18970
676 1 13 . 1 1 2 2 VAL H H 2 8.649 8.649 8.274 0.375 18970
677 1 13 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.494 -0.090 18970
678 1 13 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.387 0.923 18970
679 1 13 . 1 1 3 3 ARG CB C 3 31.000 31.000 30.260 0.740 18970
680 1 13 . 1 1 3 3 ARG H H 3 8.674 8.674 8.683 -0.009 18970
681 1 13 . 1 1 4 4 GLY CA C 4 44.960 44.960 44.819 0.141 18970
682 1 13 . 1 1 4 4 GLY H H 4 8.484 8.484 8.138 0.346 18970
683 1 13 . 1 1 5 5 CYS HA H 5 4.661 4.661 4.970 -0.309 18970
684 1 13 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.280 -0.270 18970
685 1 13 . 1 1 5 5 CYS CB C 5 37.500 37.500 27.785 9.715 18970
686 1 13 . 1 1 5 5 CYS H H 5 8.044 8.044 8.448 -0.404 18970
687 1 13 . 1 1 6 6 TRP HA H 6 5.109 5.109 5.134 -0.025 18970
688 1 13 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.332 0.358 18970
689 1 13 . 1 1 6 6 TRP CB C 6 32.160 32.160 30.874 1.286 18970
690 1 13 . 1 1 6 6 TRP H H 6 7.227 7.227 8.717 -1.490 18970
691 1 13 . 1 1 7 7 THR HA H 7 4.330 4.330 4.223 0.107 18970
692 1 13 . 1 1 7 7 THR CA C 7 61.850 61.850 61.650 0.200 18970
693 1 13 . 1 1 7 7 THR CB C 7 70.440 70.440 69.797 0.643 18970
694 1 13 . 1 1 7 7 THR H H 7 9.252 9.252 8.993 0.259 18970
695 1 13 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.355 0.100 18970
696 1 13 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.188 0.692 18970
697 1 13 . 1 1 8 8 LYS H H 8 8.466 8.466 8.552 -0.086 18970
698 1 13 . 1 1 9 9 SER HA H 9 4.388 4.388 4.614 -0.226 18970
699 1 13 . 1 1 9 9 SER CA C 9 57.590 57.590 57.396 0.194 18970
700 1 13 . 1 1 9 9 SER CB C 9 65.145 65.145 65.328 -0.183 18970
701 1 13 . 1 1 9 9 SER H H 9 7.508 7.508 8.142 -0.634 18970
702 1 13 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.864 -0.250 18970
703 1 13 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.170 -0.610 18970
704 1 13 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.691 0.829 18970
705 1 13 . 1 1 10 10 TYR H H 10 8.492 8.492 8.416 0.076 18970
706 1 13 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.705 -0.413 18970
707 1 13 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.378 0.642 18970
708 1 13 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.323 1.627 18970
709 1 13 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.304 0.023 18970
710 1 13 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.336 1.414 18970
711 1 13 . 1 1 12 12 PRO CB C 12 32.890 32.890 31.918 0.972 18970
712 1 13 . 1 1 13 13 LYS HA H 13 4.975 4.975 5.014 -0.039 18970
713 1 13 . 1 1 13 13 LYS CA C 13 53.280 53.280 53.076 0.204 18970
714 1 13 . 1 1 13 13 LYS H H 13 8.209 8.209 7.876 0.333 18970
715 1 13 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.944 -0.827 18970
716 1 13 . 1 1 14 14 PRO CA C 14 62.750 62.750 62.871 -0.121 18970
717 1 13 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.521 -0.437 18970
718 1 13 . 1 1 15 15 CYS CA C 15 55.390 55.390 57.752 -2.362 18970
719 1 13 . 1 1 15 15 CYS CB C 15 41.095 41.095 25.488 15.607 18970
720 1 13 . 1 1 15 15 CYS H H 15 7.860 7.860 8.064 -0.204 18970
721 1 13 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.712 -0.101 18970
722 1 13 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.603 0.077 18970
723 1 13 . 1 1 16 16 PHE CB C 16 40.130 40.130 40.317 -0.187 18970
724 1 13 . 1 1 16 16 PHE H H 16 8.345 8.345 8.697 -0.352 18970
725 1 13 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.733 0.255 18970
726 1 13 . 1 1 17 17 VAL CA C 17 62.070 62.070 64.280 -2.210 18970
727 1 13 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.486 1.874 18970
728 1 13 . 1 1 17 17 VAL H H 17 8.049 8.049 8.526 -0.477 18970
729 1 14 . 1 1 2 2 VAL HA H 2 4.168 4.168 3.878 0.290 18970
730 1 14 . 1 1 2 2 VAL CA C 2 62.490 62.490 64.480 -1.990 18970
731 1 14 . 1 1 2 2 VAL CB C 2 33.010 33.010 31.776 1.234 18970
732 1 14 . 1 1 2 2 VAL H H 2 8.649 8.649 8.422 0.227 18970
733 1 14 . 1 1 3 3 ARG HA H 3 4.404 4.404 3.985 0.419 18970
734 1 14 . 1 1 3 3 ARG CA C 3 56.310 56.310 58.326 -2.016 18970
735 1 14 . 1 1 3 3 ARG CB C 3 31.000 31.000 28.515 2.485 18970
736 1 14 . 1 1 3 3 ARG H H 3 8.674 8.674 8.689 -0.015 18970
737 1 14 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.396 -0.436 18970
738 1 14 . 1 1 4 4 GLY H H 4 8.484 8.484 7.925 0.559 18970
739 1 14 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.187 -0.526 18970
740 1 14 . 1 1 5 5 CYS CA C 5 57.010 57.010 58.418 -1.408 18970
741 1 14 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.658 6.842 18970
742 1 14 . 1 1 5 5 CYS H H 5 8.044 8.044 8.296 -0.252 18970
743 1 14 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.813 0.296 18970
744 1 14 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.466 0.224 18970
745 1 14 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.816 -0.656 18970
746 1 14 . 1 1 6 6 TRP H H 6 7.227 7.227 8.814 -1.587 18970
747 1 14 . 1 1 7 7 THR HA H 7 4.330 4.330 4.215 0.115 18970
748 1 14 . 1 1 7 7 THR CA C 7 61.850 61.850 61.200 0.649 18970
749 1 14 . 1 1 7 7 THR CB C 7 70.440 70.440 68.267 2.173 18970
750 1 14 . 1 1 7 7 THR H H 7 9.252 9.252 8.650 0.602 18970
751 1 14 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.909 0.546 18970
752 1 14 . 1 1 8 8 LYS CA C 8 55.880 55.880 56.409 -0.529 18970
753 1 14 . 1 1 8 8 LYS H H 8 8.466 8.466 8.080 0.386 18970
754 1 14 . 1 1 9 9 SER HA H 9 4.388 4.388 4.557 -0.169 18970
755 1 14 . 1 1 9 9 SER CA C 9 57.590 57.590 57.445 0.145 18970
756 1 14 . 1 1 9 9 SER CB C 9 65.145 65.145 64.497 0.648 18970
757 1 14 . 1 1 9 9 SER H H 9 7.508 7.508 7.870 -0.362 18970
758 1 14 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.968 -0.354 18970
759 1 14 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.712 -0.152 18970
760 1 14 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.481 1.039 18970
761 1 14 . 1 1 10 10 TYR H H 10 8.492 8.492 8.349 0.143 18970
762 1 14 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.499 -0.207 18970
763 1 14 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.117 0.903 18970
764 1 14 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.030 1.920 18970
765 1 14 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.547 -0.220 18970
766 1 14 . 1 1 12 12 PRO CA C 12 63.750 63.750 61.840 1.909 18970
767 1 14 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.337 0.553 18970
768 1 14 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.890 0.085 18970
769 1 14 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.876 0.404 18970
770 1 14 . 1 1 13 13 LYS H H 13 8.209 8.209 7.752 0.457 18970
771 1 14 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.679 -0.562 18970
772 1 14 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.235 -0.485 18970
773 1 14 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.306 -0.222 18970
774 1 14 . 1 1 15 15 CYS CA C 15 55.390 55.390 59.002 -3.612 18970
775 1 14 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.456 12.639 18970
776 1 14 . 1 1 15 15 CYS H H 15 7.860 7.860 8.332 -0.472 18970
777 1 14 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.677 -0.066 18970
778 1 14 . 1 1 16 16 PHE CA C 16 57.680 57.680 56.864 0.816 18970
779 1 14 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.960 0.170 18970
780 1 14 . 1 1 16 16 PHE H H 16 8.345 8.345 8.247 0.098 18970
781 1 14 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.050 -0.062 18970
782 1 14 . 1 1 17 17 VAL CA C 17 62.070 62.070 63.456 -1.386 18970
783 1 14 . 1 1 17 17 VAL CB C 17 33.360 33.360 30.054 3.306 18970
784 1 14 . 1 1 17 17 VAL H H 17 8.049 8.049 8.628 -0.579 18970
785 1 15 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.474 -0.306 18970
786 1 15 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.541 -0.051 18970
787 1 15 . 1 1 2 2 VAL CB C 2 33.010 33.010 33.289 -0.279 18970
788 1 15 . 1 1 2 2 VAL H H 2 8.649 8.649 8.529 0.120 18970
789 1 15 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.559 -0.155 18970
790 1 15 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.410 0.900 18970
791 1 15 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.679 -0.679 18970
792 1 15 . 1 1 3 3 ARG H H 3 8.674 8.674 8.790 -0.116 18970
793 1 15 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.118 -0.158 18970
794 1 15 . 1 1 4 4 GLY H H 4 8.484 8.484 8.214 0.270 18970
795 1 15 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.093 -0.432 18970
796 1 15 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.958 0.052 18970
797 1 15 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.607 6.893 18970
798 1 15 . 1 1 5 5 CYS H H 5 8.044 8.044 8.004 0.040 18970
799 1 15 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.864 0.245 18970
800 1 15 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.294 0.396 18970
801 1 15 . 1 1 6 6 TRP CB C 6 32.160 32.160 33.004 -0.844 18970
802 1 15 . 1 1 6 6 TRP H H 6 7.227 7.227 8.481 -1.254 18970
803 1 15 . 1 1 7 7 THR HA H 7 4.330 4.330 4.207 0.123 18970
804 1 15 . 1 1 7 7 THR CA C 7 61.850 61.850 60.625 1.225 18970
805 1 15 . 1 1 7 7 THR CB C 7 70.440 70.440 69.732 0.708 18970
806 1 15 . 1 1 7 7 THR H H 7 9.252 9.252 8.719 0.533 18970
807 1 15 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.813 0.642 18970
808 1 15 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.794 0.086 18970
809 1 15 . 1 1 8 8 LYS H H 8 8.466 8.466 8.328 0.138 18970
810 1 15 . 1 1 9 9 SER HA H 9 4.388 4.388 4.606 -0.218 18970
811 1 15 . 1 1 9 9 SER CA C 9 57.590 57.590 56.953 0.637 18970
812 1 15 . 1 1 9 9 SER CB C 9 65.145 65.145 65.041 0.104 18970
813 1 15 . 1 1 9 9 SER H H 9 7.508 7.508 7.820 -0.312 18970
814 1 15 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.969 -0.355 18970
815 1 15 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.302 -0.742 18970
816 1 15 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.717 0.803 18970
817 1 15 . 1 1 10 10 TYR H H 10 8.492 8.492 8.408 0.084 18970
818 1 15 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.625 -0.333 18970
819 1 15 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.544 0.476 18970
820 1 15 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.192 1.758 18970
821 1 15 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.923 -0.596 18970
822 1 15 . 1 1 12 12 PRO CA C 12 63.750 63.750 61.827 1.923 18970
823 1 15 . 1 1 12 12 PRO CB C 12 32.890 32.890 33.139 -0.249 18970
824 1 15 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.902 0.073 18970
825 1 15 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.709 0.571 18970
826 1 15 . 1 1 13 13 LYS H H 13 8.209 8.209 8.006 0.203 18970
827 1 15 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.632 -0.515 18970
828 1 15 . 1 1 14 14 PRO CA C 14 62.750 62.750 62.821 -0.071 18970
829 1 15 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.156 -0.072 18970
830 1 15 . 1 1 15 15 CYS CA C 15 55.390 55.390 58.808 -3.418 18970
831 1 15 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.185 12.910 18970
832 1 15 . 1 1 15 15 CYS H H 15 7.860 7.860 8.254 -0.394 18970
833 1 15 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.561 0.050 18970
834 1 15 . 1 1 16 16 PHE CA C 16 57.680 57.680 58.320 -0.640 18970
835 1 15 . 1 1 16 16 PHE CB C 16 40.130 40.130 37.489 2.640 18970
836 1 15 . 1 1 16 16 PHE H H 16 8.345 8.345 8.649 -0.304 18970
837 1 15 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.476 -0.488 18970
838 1 15 . 1 1 17 17 VAL CA C 17 62.070 62.070 61.731 0.339 18970
839 1 15 . 1 1 17 17 VAL CB C 17 33.360 33.360 32.936 0.424 18970
840 1 15 . 1 1 17 17 VAL H H 17 8.049 8.049 8.224 -0.175 18970
841 1 16 . 1 1 2 2 VAL HA H 2 4.168 4.168 3.790 0.378 18970
842 1 16 . 1 1 2 2 VAL CA C 2 62.490 62.490 63.549 -1.059 18970
843 1 16 . 1 1 2 2 VAL CB C 2 33.010 33.010 30.914 2.096 18970
844 1 16 . 1 1 2 2 VAL H H 2 8.649 8.649 8.259 0.390 18970
845 1 16 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.633 -0.229 18970
846 1 16 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.386 0.923 18970
847 1 16 . 1 1 3 3 ARG CB C 3 31.000 31.000 32.452 -1.452 18970
848 1 16 . 1 1 3 3 ARG H H 3 8.674 8.674 8.004 0.670 18970
849 1 16 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.129 -0.169 18970
850 1 16 . 1 1 4 4 GLY H H 4 8.484 8.484 8.583 -0.099 18970
851 1 16 . 1 1 5 5 CYS HA H 5 4.661 4.661 4.736 -0.075 18970
852 1 16 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.950 -0.940 18970
853 1 16 . 1 1 5 5 CYS CB C 5 37.500 37.500 27.253 10.248 18970
854 1 16 . 1 1 5 5 CYS H H 5 8.044 8.044 8.258 -0.214 18970
855 1 16 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.999 0.110 18970
856 1 16 . 1 1 6 6 TRP CA C 6 56.690 56.690 55.988 0.702 18970
857 1 16 . 1 1 6 6 TRP CB C 6 32.160 32.160 31.724 0.436 18970
858 1 16 . 1 1 6 6 TRP H H 6 7.227 7.227 8.862 -1.635 18970
859 1 16 . 1 1 7 7 THR HA H 7 4.330 4.330 4.264 0.066 18970
860 1 16 . 1 1 7 7 THR CA C 7 61.850 61.850 60.261 1.589 18970
861 1 16 . 1 1 7 7 THR CB C 7 70.440 70.440 68.614 1.826 18970
862 1 16 . 1 1 7 7 THR H H 7 9.252 9.252 8.208 1.044 18970
863 1 16 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.741 0.714 18970
864 1 16 . 1 1 8 8 LYS CA C 8 55.880 55.880 54.827 1.053 18970
865 1 16 . 1 1 8 8 LYS H H 8 8.466 8.466 7.501 0.965 18970
866 1 16 . 1 1 9 9 SER HA H 9 4.388 4.388 4.570 -0.182 18970
867 1 16 . 1 1 9 9 SER CA C 9 57.590 57.590 57.004 0.586 18970
868 1 16 . 1 1 9 9 SER CB C 9 65.145 65.145 64.587 0.558 18970
869 1 16 . 1 1 9 9 SER H H 9 7.508 7.508 7.916 -0.408 18970
870 1 16 . 1 1 10 10 TYR HA H 10 4.614 4.614 5.046 -0.432 18970
871 1 16 . 1 1 10 10 TYR CA C 10 55.560 55.560 54.969 0.591 18970
872 1 16 . 1 1 10 10 TYR CB C 10 40.520 40.520 38.274 2.246 18970
873 1 16 . 1 1 10 10 TYR H H 10 8.492 8.492 7.726 0.766 18970
874 1 16 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.935 -0.643 18970
875 1 16 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.151 0.869 18970
876 1 16 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.565 1.385 18970
877 1 16 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.778 -0.451 18970
878 1 16 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.115 1.635 18970
879 1 16 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.162 0.728 18970
880 1 16 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.990 -0.015 18970
881 1 16 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.973 0.307 18970
882 1 16 . 1 1 13 13 LYS H H 13 8.209 8.209 8.244 -0.035 18970
883 1 16 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.605 -0.488 18970
884 1 16 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.001 -0.251 18970
885 1 16 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.198 -0.114 18970
886 1 16 . 1 1 15 15 CYS CA C 15 55.390 55.390 60.150 -4.760 18970
887 1 16 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.550 12.545 18970
888 1 16 . 1 1 15 15 CYS H H 15 7.860 7.860 8.360 -0.500 18970
889 1 16 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.532 0.079 18970
890 1 16 . 1 1 16 16 PHE CA C 16 57.680 57.680 59.342 -1.662 18970
891 1 16 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.487 0.643 18970
892 1 16 . 1 1 16 16 PHE H H 16 8.345 8.345 8.736 -0.391 18970
893 1 16 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.305 -0.317 18970
894 1 16 . 1 1 17 17 VAL CA C 17 62.070 62.070 61.507 0.563 18970
895 1 16 . 1 1 17 17 VAL CB C 17 33.360 33.360 33.509 -0.149 18970
896 1 16 . 1 1 17 17 VAL H H 17 8.049 8.049 7.666 0.383 18970
897 1 17 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.270 -0.102 18970
898 1 17 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.767 -0.277 18970
899 1 17 . 1 1 2 2 VAL CB C 2 33.010 33.010 31.816 1.194 18970
900 1 17 . 1 1 2 2 VAL H H 2 8.649 8.649 8.270 0.379 18970
901 1 17 . 1 1 3 3 ARG HA H 3 4.404 4.404 5.000 -0.596 18970
902 1 17 . 1 1 3 3 ARG CA C 3 56.310 56.310 56.295 0.015 18970
903 1 17 . 1 1 3 3 ARG CB C 3 31.000 31.000 32.950 -1.950 18970
904 1 17 . 1 1 3 3 ARG H H 3 8.674 8.674 8.123 0.551 18970
905 1 17 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.485 -0.525 18970
906 1 17 . 1 1 4 4 GLY H H 4 8.484 8.484 8.272 0.212 18970
907 1 17 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.166 -0.505 18970
908 1 17 . 1 1 5 5 CYS CA C 5 57.010 57.010 58.571 -1.560 18970
909 1 17 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.270 7.230 18970
910 1 17 . 1 1 5 5 CYS H H 5 8.044 8.044 8.362 -0.318 18970
911 1 17 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.888 0.221 18970
912 1 17 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.505 0.185 18970
913 1 17 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.196 -0.036 18970
914 1 17 . 1 1 6 6 TRP H H 6 7.227 7.227 8.842 -1.615 18970
915 1 17 . 1 1 7 7 THR HA H 7 4.330 4.330 4.266 0.064 18970
916 1 17 . 1 1 7 7 THR CA C 7 61.850 61.850 61.799 0.051 18970
917 1 17 . 1 1 7 7 THR CB C 7 70.440 70.440 69.694 0.747 18970
918 1 17 . 1 1 7 7 THR H H 7 9.252 9.252 8.751 0.501 18970
919 1 17 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.183 0.272 18970
920 1 17 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.620 0.260 18970
921 1 17 . 1 1 8 8 LYS H H 8 8.466 8.466 8.451 0.015 18970
922 1 17 . 1 1 9 9 SER HA H 9 4.388 4.388 4.591 -0.203 18970
923 1 17 . 1 1 9 9 SER CA C 9 57.590 57.590 57.090 0.499 18970
924 1 17 . 1 1 9 9 SER CB C 9 65.145 65.145 64.665 0.479 18970
925 1 17 . 1 1 9 9 SER H H 9 7.508 7.508 8.114 -0.606 18970
926 1 17 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.973 -0.359 18970
927 1 17 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.035 -0.475 18970
928 1 17 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.569 0.951 18970
929 1 17 . 1 1 10 10 TYR H H 10 8.492 8.492 8.380 0.112 18970
930 1 17 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.667 -0.375 18970
931 1 17 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.366 0.654 18970
932 1 17 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.189 1.761 18970
933 1 17 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.524 -0.197 18970
934 1 17 . 1 1 12 12 PRO CA C 12 63.750 63.750 61.739 2.011 18970
935 1 17 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.849 0.041 18970
936 1 17 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.996 -0.021 18970
937 1 17 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.948 0.332 18970
938 1 17 . 1 1 13 13 LYS H H 13 8.209 8.209 7.726 0.483 18970
939 1 17 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.860 -0.743 18970
940 1 17 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.767 -1.017 18970
941 1 17 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.402 -0.318 18970
942 1 17 . 1 1 15 15 CYS CA C 15 55.390 55.390 59.678 -4.288 18970
943 1 17 . 1 1 15 15 CYS CB C 15 41.095 41.095 26.594 14.501 18970
944 1 17 . 1 1 15 15 CYS H H 15 7.860 7.860 8.440 -0.580 18970
945 1 17 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.567 0.044 18970
946 1 17 . 1 1 16 16 PHE CA C 16 57.680 57.680 58.322 -0.642 18970
947 1 17 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.126 1.004 18970
948 1 17 . 1 1 16 16 PHE H H 16 8.345 8.345 7.900 0.445 18970
949 1 17 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.682 0.306 18970
950 1 17 . 1 1 17 17 VAL CA C 17 62.070 62.070 62.062 0.008 18970
951 1 17 . 1 1 17 17 VAL CB C 17 33.360 33.360 32.659 0.701 18970
952 1 17 . 1 1 17 17 VAL H H 17 8.049 8.049 8.619 -0.570 18970
953 1 18 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.205 -0.037 18970
954 1 18 . 1 1 2 2 VAL CA C 2 62.490 62.490 63.192 -0.702 18970
955 1 18 . 1 1 2 2 VAL CB C 2 33.010 33.010 31.293 1.718 18970
956 1 18 . 1 1 2 2 VAL H H 2 8.649 8.649 8.287 0.362 18970
957 1 18 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.559 -0.155 18970
958 1 18 . 1 1 3 3 ARG CA C 3 56.310 56.310 54.634 1.676 18970
959 1 18 . 1 1 3 3 ARG CB C 3 31.000 31.000 33.185 -2.185 18970
960 1 18 . 1 1 3 3 ARG H H 3 8.674 8.674 8.042 0.632 18970
961 1 18 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.297 -0.337 18970
962 1 18 . 1 1 4 4 GLY H H 4 8.484 8.484 8.653 -0.169 18970
963 1 18 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.097 -0.436 18970
964 1 18 . 1 1 5 5 CYS CA C 5 57.010 57.010 56.542 0.468 18970
965 1 18 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.712 6.788 18970
966 1 18 . 1 1 5 5 CYS H H 5 8.044 8.044 8.554 -0.510 18970
967 1 18 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.952 0.157 18970
968 1 18 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.348 0.342 18970
969 1 18 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.633 -0.473 18970
970 1 18 . 1 1 6 6 TRP H H 6 7.227 7.227 8.442 -1.215 18970
971 1 18 . 1 1 7 7 THR HA H 7 4.330 4.330 4.215 0.115 18970
972 1 18 . 1 1 7 7 THR CA C 7 61.850 61.850 60.634 1.216 18970
973 1 18 . 1 1 7 7 THR CB C 7 70.440 70.440 68.644 1.796 18970
974 1 18 . 1 1 7 7 THR H H 7 9.252 9.252 8.858 0.394 18970
975 1 18 . 1 1 8 8 LYS HA H 8 4.455 4.455 3.761 0.694 18970
976 1 18 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.711 0.169 18970
977 1 18 . 1 1 8 8 LYS H H 8 8.466 8.466 7.948 0.518 18970
978 1 18 . 1 1 9 9 SER HA H 9 4.388 4.388 4.614 -0.226 18970
979 1 18 . 1 1 9 9 SER CA C 9 57.590 57.590 57.180 0.410 18970
980 1 18 . 1 1 9 9 SER CB C 9 65.145 65.145 65.232 -0.087 18970
981 1 18 . 1 1 9 9 SER H H 9 7.508 7.508 7.812 -0.304 18970
982 1 18 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.866 -0.252 18970
983 1 18 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.179 -0.619 18970
984 1 18 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.760 0.760 18970
985 1 18 . 1 1 10 10 TYR H H 10 8.492 8.492 8.349 0.143 18970
986 1 18 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.597 -0.305 18970
987 1 18 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.479 0.541 18970
988 1 18 . 1 1 11 11 PRO CB C 11 32.950 32.950 30.927 2.023 18970
989 1 18 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.573 -0.246 18970
990 1 18 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.136 1.613 18970
991 1 18 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.926 -0.036 18970
992 1 18 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.946 0.029 18970
993 1 18 . 1 1 13 13 LYS CA C 13 53.280 53.280 53.153 0.127 18970
994 1 18 . 1 1 13 13 LYS H H 13 8.209 8.209 8.287 -0.078 18970
995 1 18 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.676 -0.559 18970
996 1 18 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.365 -0.615 18970
997 1 18 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.260 -0.176 18970
998 1 18 . 1 1 15 15 CYS CA C 15 55.390 55.390 57.682 -2.292 18970
999 1 18 . 1 1 15 15 CYS CB C 15 41.095 41.095 28.295 12.800 18970
1000 1 18 . 1 1 15 15 CYS H H 15 7.860 7.860 8.030 -0.170 18970
1001 1 18 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.603 0.008 18970
1002 1 18 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.496 0.184 18970
1003 1 18 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.294 0.836 18970
1004 1 18 . 1 1 16 16 PHE H H 16 8.345 8.345 8.377 -0.032 18970
1005 1 18 . 1 1 17 17 VAL HA H 17 3.988 3.988 3.872 0.116 18970
1006 1 18 . 1 1 17 17 VAL CA C 17 62.070 62.070 63.330 -1.260 18970
1007 1 18 . 1 1 17 17 VAL CB C 17 33.360 33.360 30.798 2.562 18970
1008 1 18 . 1 1 17 17 VAL H H 17 8.049 8.049 7.535 0.514 18970
1009 1 19 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.585 -0.417 18970
1010 1 19 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.020 0.470 18970
1011 1 19 . 1 1 2 2 VAL CB C 2 33.010 33.010 33.077 -0.067 18970
1012 1 19 . 1 1 2 2 VAL H H 2 8.649 8.649 8.397 0.252 18970
1013 1 19 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.467 -0.063 18970
1014 1 19 . 1 1 3 3 ARG CA C 3 56.310 56.310 56.124 0.186 18970
1015 1 19 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.936 -0.937 18970
1016 1 19 . 1 1 3 3 ARG H H 3 8.674 8.674 8.609 0.065 18970
1017 1 19 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.181 -0.221 18970
1018 1 19 . 1 1 4 4 GLY H H 4 8.484 8.484 8.613 -0.129 18970
1019 1 19 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.127 -0.466 18970
1020 1 19 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.103 -0.093 18970
1021 1 19 . 1 1 5 5 CYS CB C 5 37.500 37.500 30.493 7.007 18970
1022 1 19 . 1 1 5 5 CYS H H 5 8.044 8.044 8.764 -0.720 18970
1023 1 19 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.751 0.358 18970
1024 1 19 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.417 0.273 18970
1025 1 19 . 1 1 6 6 TRP CB C 6 32.160 32.160 33.036 -0.876 18970
1026 1 19 . 1 1 6 6 TRP H H 6 7.227 7.227 8.476 -1.249 18970
1027 1 19 . 1 1 7 7 THR HA H 7 4.330 4.330 4.259 0.071 18970
1028 1 19 . 1 1 7 7 THR CA C 7 61.850 61.850 60.842 1.008 18970
1029 1 19 . 1 1 7 7 THR CB C 7 70.440 70.440 69.588 0.852 18970
1030 1 19 . 1 1 7 7 THR H H 7 9.252 9.252 8.553 0.699 18970
1031 1 19 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.023 0.432 18970
1032 1 19 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.423 0.457 18970
1033 1 19 . 1 1 8 8 LYS H H 8 8.466 8.466 8.482 -0.016 18970
1034 1 19 . 1 1 9 9 SER HA H 9 4.388 4.388 4.635 -0.247 18970
1035 1 19 . 1 1 9 9 SER CA C 9 57.590 57.590 56.942 0.648 18970
1036 1 19 . 1 1 9 9 SER CB C 9 65.145 65.145 64.988 0.157 18970
1037 1 19 . 1 1 9 9 SER H H 9 7.508 7.508 7.743 -0.235 18970
1038 1 19 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.904 -0.290 18970
1039 1 19 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.673 -0.113 18970
1040 1 19 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.443 1.077 18970
1041 1 19 . 1 1 10 10 TYR H H 10 8.492 8.492 8.308 0.184 18970
1042 1 19 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.655 -0.363 18970
1043 1 19 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.363 0.657 18970
1044 1 19 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.251 1.699 18970
1045 1 19 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.540 -0.213 18970
1046 1 19 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.372 1.378 18970
1047 1 19 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.207 0.683 18970
1048 1 19 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.881 0.094 18970
1049 1 19 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.871 0.409 18970
1050 1 19 . 1 1 13 13 LYS H H 13 8.209 8.209 7.757 0.452 18970
1051 1 19 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.692 -0.575 18970
1052 1 19 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.103 -0.353 18970
1053 1 19 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.348 -0.264 18970
1054 1 19 . 1 1 15 15 CYS CA C 15 55.390 55.390 57.501 -2.111 18970
1055 1 19 . 1 1 15 15 CYS CB C 15 41.095 41.095 27.747 13.348 18970
1056 1 19 . 1 1 15 15 CYS H H 15 7.860 7.860 8.176 -0.316 18970
1057 1 19 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.753 -0.142 18970
1058 1 19 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.216 0.464 18970
1059 1 19 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.591 0.539 18970
1060 1 19 . 1 1 16 16 PHE H H 16 8.345 8.345 8.364 -0.019 18970
1061 1 19 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.095 -0.107 18970
1062 1 19 . 1 1 17 17 VAL CA C 17 62.070 62.070 63.385 -1.315 18970
1063 1 19 . 1 1 17 17 VAL CB C 17 33.360 33.360 30.861 2.499 18970
1064 1 19 . 1 1 17 17 VAL H H 17 8.049 8.049 8.643 -0.594 18970
1065 1 20 . 1 1 2 2 VAL HA H 2 4.168 4.168 4.443 -0.275 18970
1066 1 20 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.920 -0.430 18970
1067 1 20 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.403 0.607 18970
1068 1 20 . 1 1 2 2 VAL H H 2 8.649 8.649 8.286 0.363 18970
1069 1 20 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.540 -0.136 18970
1070 1 20 . 1 1 3 3 ARG CA C 3 56.310 56.310 56.041 0.269 18970
1071 1 20 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.462 -0.463 18970
1072 1 20 . 1 1 3 3 ARG H H 3 8.674 8.674 8.736 -0.062 18970
1073 1 20 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.274 -0.314 18970
1074 1 20 . 1 1 4 4 GLY H H 4 8.484 8.484 8.398 0.086 18970
1075 1 20 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.067 -0.406 18970
1076 1 20 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.794 -0.784 18970
1077 1 20 . 1 1 5 5 CYS CB C 5 37.500 37.500 29.910 7.590 18970
1078 1 20 . 1 1 5 5 CYS H H 5 8.044 8.044 8.144 -0.100 18970
1079 1 20 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.784 0.325 18970
1080 1 20 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.352 0.338 18970
1081 1 20 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.125 0.035 18970
1082 1 20 . 1 1 6 6 TRP H H 6 7.227 7.227 8.572 -1.345 18970
1083 1 20 . 1 1 7 7 THR HA H 7 4.330 4.330 4.317 0.013 18970
1084 1 20 . 1 1 7 7 THR CA C 7 61.850 61.850 61.455 0.395 18970
1085 1 20 . 1 1 7 7 THR CB C 7 70.440 70.440 70.231 0.209 18970
1086 1 20 . 1 1 7 7 THR H H 7 9.252 9.252 8.777 0.475 18970
1087 1 20 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.211 0.244 18970
1088 1 20 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.740 0.140 18970
1089 1 20 . 1 1 8 8 LYS H H 8 8.466 8.466 8.441 0.025 18970
1090 1 20 . 1 1 9 9 SER HA H 9 4.388 4.388 4.595 -0.207 18970
1091 1 20 . 1 1 9 9 SER CA C 9 57.590 57.590 57.346 0.243 18970
1092 1 20 . 1 1 9 9 SER CB C 9 65.145 65.145 65.506 -0.361 18970
1093 1 20 . 1 1 9 9 SER H H 9 7.508 7.508 8.083 -0.575 18970
1094 1 20 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.844 -0.230 18970
1095 1 20 . 1 1 10 10 TYR CA C 10 55.560 55.560 56.121 -0.561 18970
1096 1 20 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.668 0.852 18970
1097 1 20 . 1 1 10 10 TYR H H 10 8.492 8.492 8.399 0.093 18970
1098 1 20 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.583 -0.291 18970
1099 1 20 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.227 0.793 18970
1100 1 20 . 1 1 11 11 PRO CB C 11 32.950 32.950 30.965 1.985 18970
1101 1 20 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.175 0.152 18970
1102 1 20 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.558 1.192 18970
1103 1 20 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.007 0.883 18970
1104 1 20 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.858 0.117 18970
1105 1 20 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.892 0.388 18970
1106 1 20 . 1 1 13 13 LYS H H 13 8.209 8.209 7.647 0.562 18970
1107 1 20 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.738 -0.621 18970
1108 1 20 . 1 1 14 14 PRO CA C 14 62.750 62.750 62.935 -0.185 18970
1109 1 20 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.356 -0.272 18970
1110 1 20 . 1 1 15 15 CYS CA C 15 55.390 55.390 59.760 -4.370 18970
1111 1 20 . 1 1 15 15 CYS CB C 15 41.095 41.095 27.016 14.079 18970
1112 1 20 . 1 1 15 15 CYS H H 15 7.860 7.860 8.495 -0.635 18970
1113 1 20 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.620 -0.009 18970
1114 1 20 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.558 0.122 18970
1115 1 20 . 1 1 16 16 PHE CB C 16 40.130 40.130 38.036 2.094 18970
1116 1 20 . 1 1 16 16 PHE H H 16 8.345 8.345 8.702 -0.357 18970
1117 1 20 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.426 -0.438 18970
1118 1 20 . 1 1 17 17 VAL CA C 17 62.070 62.070 61.556 0.514 18970
1119 1 20 . 1 1 17 17 VAL CB C 17 33.360 33.360 32.824 0.536 18970
1120 1 20 . 1 1 17 17 VAL H H 17 8.049 8.049 8.414 -0.365 18970
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 18970
2 1 1 "Average Difference" HA 17 0.281 0.131 0.257 18970
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18970
4 1 1 "Average Difference" CA 16 1.035 -0.125 1.062 18970
5 1 1 "Average Difference" CB 12 4.279 -2.072 3.911 18970
6 1 1 "Average Difference" HN 13 0.483 0.114 0.489 18970
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18970
8 1 2 "Average Difference" HA 17 0.336 0.035 0.344 18970
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18970
10 1 2 "Average Difference" CA 16 1.489 0.088 1.535 18970
11 1 2 "Average Difference" CB 12 4.692 -2.266 4.291 18970
12 1 2 "Average Difference" HN 13 0.433 0.036 0.449 18970
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18970
14 1 3 "Average Difference" HA 17 0.334 0.036 0.343 18970
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18970
16 1 3 "Average Difference" CA 16 1.219 0.137 1.251 18970
17 1 3 "Average Difference" CB 12 4.463 -2.402 3.929 18970
18 1 3 "Average Difference" HN 13 0.550 0.014 0.573 18970
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18970
20 1 4 "Average Difference" HA 17 0.320 0.172 0.278 18970
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18970
22 1 4 "Average Difference" CA 16 1.352 0.038 1.396 18970
23 1 4 "Average Difference" CB 12 4.967 -2.294 4.601 18970
24 1 4 "Average Difference" HN 13 0.545 0.050 0.565 18970
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18970
26 1 5 "Average Difference" HA 17 0.309 0.067 0.312 18970
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18970
28 1 5 "Average Difference" CA 16 1.704 0.284 1.735 18970
29 1 5 "Average Difference" CB 12 5.050 -2.415 4.632 18970
30 1 5 "Average Difference" HN 13 0.472 0.084 0.484 18970
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18970
32 1 6 "Average Difference" HA 17 0.341 0.218 0.270 18970
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18970
34 1 6 "Average Difference" CA 16 0.921 -0.199 0.929 18970
35 1 6 "Average Difference" CB 12 3.930 -1.558 3.769 18970
36 1 6 "Average Difference" HN 13 0.507 0.039 0.526 18970
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18970
38 1 7 "Average Difference" HA 17 0.285 0.128 0.263 18970
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18970
40 1 7 "Average Difference" CA 16 1.027 -0.147 1.049 18970
41 1 7 "Average Difference" CB 12 4.394 -2.031 4.070 18970
42 1 7 "Average Difference" HN 13 0.463 0.069 0.477 18970
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18970
44 1 8 "Average Difference" HA 17 0.354 0.164 0.324 18970
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18970
46 1 8 "Average Difference" CA 16 1.029 0.002 1.062 18970
47 1 8 "Average Difference" CB 12 5.232 -2.393 4.860 18970
48 1 8 "Average Difference" HN 13 0.566 0.179 0.559 18970
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18970
50 1 9 "Average Difference" HA 17 0.268 0.093 0.260 18970
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18970
52 1 9 "Average Difference" CA 16 1.326 -0.009 1.369 18970
53 1 9 "Average Difference" CB 12 4.436 -2.179 4.035 18970
54 1 9 "Average Difference" HN 13 0.472 0.050 0.488 18970
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18970
56 1 10 "Average Difference" HA 17 0.253 0.094 0.242 18970
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18970
58 1 10 "Average Difference" CA 16 1.281 0.062 1.321 18970
59 1 10 "Average Difference" CB 12 5.207 -2.469 4.789 18970
60 1 10 "Average Difference" HN 13 0.522 0.171 0.513 18970
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18970
62 1 11 "Average Difference" HA 17 0.303 0.098 0.296 18970
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18970
64 1 11 "Average Difference" CA 16 0.831 0.004 0.858 18970
65 1 11 "Average Difference" CB 12 4.587 -2.400 4.083 18970
66 1 11 "Average Difference" HN 13 0.507 0.038 0.527 18970
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18970
68 1 12 "Average Difference" HA 17 0.280 0.114 0.263 18970
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18970
70 1 12 "Average Difference" CA 16 1.523 0.292 1.544 18970
71 1 12 "Average Difference" CB 12 5.517 -2.554 5.107 18970
72 1 12 "Average Difference" HN 13 0.505 0.100 0.515 18970
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18970
74 1 13 "Average Difference" HA 17 0.289 0.155 0.251 18970
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18970
76 1 13 "Average Difference" CA 16 0.966 0.044 0.997 18970
77 1 13 "Average Difference" CB 12 5.392 -2.795 4.815 18970
78 1 13 "Average Difference" HN 13 0.528 0.174 0.519 18970
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18970
80 1 14 "Average Difference" HA 17 0.303 0.043 0.310 18970
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18970
82 1 14 "Average Difference" CA 16 1.403 0.435 1.377 18970
83 1 14 "Average Difference" CB 12 4.433 -2.696 3.676 18970
84 1 14 "Average Difference" HN 13 0.581 0.061 0.601 18970
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18970
86 1 15 "Average Difference" HA 17 0.345 0.160 0.315 18970
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18970
88 1 15 "Average Difference" CA 16 1.116 -0.095 1.148 18970
89 1 15 "Average Difference" CB 12 4.348 -2.016 4.024 18970
90 1 15 "Average Difference" HN 13 0.430 0.090 0.438 18970
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18970
92 1 16 "Average Difference" HA 17 0.338 0.107 0.331 18970
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18970
94 1 16 "Average Difference" CA 16 1.521 0.001 1.571 18970
95 1 16 "Average Difference" CB 12 4.836 -2.592 4.264 18970
96 1 16 "Average Difference" HN 13 0.716 -0.072 0.741 18970
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18970
98 1 17 "Average Difference" HA 17 0.357 0.195 0.308 18970
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18970
100 1 17 "Average Difference" CA 16 1.318 0.298 1.326 18970
101 1 17 "Average Difference" CB 12 4.779 -2.219 4.421 18970
102 1 17 "Average Difference" HN 13 0.616 0.076 0.636 18970
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18970
104 1 18 "Average Difference" HA 17 0.284 0.082 0.280 18970
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18970
106 1 18 "Average Difference" CA 16 0.999 -0.058 1.030 18970
107 1 18 "Average Difference" CB 12 4.407 -2.209 3.983 18970
108 1 18 "Average Difference" HN 13 0.491 -0.006 0.511 18970
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18970
110 1 19 "Average Difference" HA 17 0.331 0.180 0.286 18970
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18970
112 1 19 "Average Difference" CA 16 0.832 -0.109 0.852 18970
113 1 19 "Average Difference" CB 12 4.479 -2.165 4.095 18970
114 1 19 "Average Difference" HN 13 0.511 0.125 0.516 18970
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18970
116 1 20 "Average Difference" HA 17 0.276 0.123 0.255 18970
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18970
118 1 20 "Average Difference" CA 16 1.205 0.141 1.236 18970
119 1 20 "Average Difference" CB 12 4.714 -2.337 4.276 18970
120 1 20 "Average Difference" HN 13 0.519 0.141 0.520 18970
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 18970
_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 VAL HA H 2 4.168 4.168 4.252 -0.084 18970
2 1 . 1 1 2 2 VAL CA C 2 62.490 62.490 62.765 -0.275 18970
3 1 . 1 1 2 2 VAL CB C 2 33.010 33.010 32.448 0.562 18970
4 1 . 1 1 2 2 VAL H H 2 8.649 8.649 8.380 0.270 18970
5 1 . 1 1 3 3 ARG HA H 3 4.404 4.404 4.459 -0.055 18970
6 1 . 1 1 3 3 ARG CA C 3 56.310 56.310 55.862 0.448 18970
7 1 . 1 1 3 3 ARG CB C 3 31.000 31.000 31.104 -0.104 18970
8 1 . 1 1 3 3 ARG H H 3 8.674 8.674 8.521 0.153 18970
9 1 . 1 1 4 4 GLY CA C 4 44.960 44.960 45.190 -0.230 18970
10 1 . 1 1 4 4 GLY H H 4 8.484 8.484 8.361 0.123 18970
11 1 . 1 1 5 5 CYS HA H 5 4.661 4.661 5.033 -0.372 18970
12 1 . 1 1 5 5 CYS CA C 5 57.010 57.010 57.388 -0.378 18970
13 1 . 1 1 5 5 CYS CB C 5 37.500 37.500 29.768 7.732 18970
14 1 . 1 1 5 5 CYS H H 5 8.044 8.044 8.295 -0.251 18970
15 1 . 1 1 6 6 TRP HA H 6 5.109 5.109 4.908 0.202 18970
16 1 . 1 1 6 6 TRP CA C 6 56.690 56.690 56.305 0.385 18970
17 1 . 1 1 6 6 TRP CB C 6 32.160 32.160 32.425 -0.265 18970
18 1 . 1 1 6 6 TRP H H 6 7.227 7.227 8.539 -1.312 18970
19 1 . 1 1 7 7 THR HA H 7 4.330 4.330 4.278 0.052 18970
20 1 . 1 1 7 7 THR CA C 7 61.850 61.850 60.954 0.896 18970
21 1 . 1 1 7 7 THR CB C 7 70.440 70.440 69.554 0.886 18970
22 1 . 1 1 7 7 THR H H 7 9.252 9.252 8.704 0.548 18970
23 1 . 1 1 8 8 LYS HA H 8 4.455 4.455 4.023 0.432 18970
24 1 . 1 1 8 8 LYS CA C 8 55.880 55.880 55.628 0.252 18970
25 1 . 1 1 8 8 LYS H H 8 8.466 8.466 8.301 0.165 18970
26 1 . 1 1 9 9 SER HA H 9 4.388 4.388 4.558 -0.170 18970
27 1 . 1 1 9 9 SER CA C 9 57.590 57.590 57.154 0.436 18970
28 1 . 1 1 9 9 SER CB C 9 65.145 65.145 64.974 0.171 18970
29 1 . 1 1 9 9 SER H H 9 7.508 7.508 7.954 -0.446 18970
30 1 . 1 1 10 10 TYR HA H 10 4.614 4.614 4.899 -0.285 18970
31 1 . 1 1 10 10 TYR CA C 10 55.560 55.560 55.914 -0.354 18970
32 1 . 1 1 10 10 TYR CB C 10 40.520 40.520 39.503 1.017 18970
33 1 . 1 1 10 10 TYR H H 10 8.492 8.492 8.331 0.161 18970
34 1 . 1 1 11 11 PRO HA H 11 4.292 4.292 4.626 -0.334 18970
35 1 . 1 1 11 11 PRO CA C 11 62.020 62.020 61.313 0.707 18970
36 1 . 1 1 11 11 PRO CB C 11 32.950 32.950 31.178 1.772 18970
37 1 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.429 -0.102 18970
38 1 . 1 1 12 12 PRO CA C 12 63.750 63.750 62.396 1.354 18970
39 1 . 1 1 12 12 PRO CB C 12 32.890 32.890 32.446 0.444 18970
40 1 . 1 1 13 13 LYS HA H 13 4.975 4.975 4.948 0.027 18970
41 1 . 1 1 13 13 LYS CA C 13 53.280 53.280 52.961 0.319 18970
42 1 . 1 1 13 13 LYS H H 13 8.209 8.209 7.957 0.252 18970
43 1 . 1 1 14 14 PRO HA H 14 4.117 4.117 4.727 -0.610 18970
44 1 . 1 1 14 14 PRO CA C 14 62.750 62.750 63.097 -0.347 18970
45 1 . 1 1 15 15 CYS HA H 15 4.084 4.084 4.382 -0.298 18970
46 1 . 1 1 15 15 CYS CA C 15 55.390 55.390 58.949 -3.559 18970
47 1 . 1 1 15 15 CYS CB C 15 41.095 41.095 27.317 13.778 18970
48 1 . 1 1 15 15 CYS H H 15 7.860 7.860 8.295 -0.435 18970
49 1 . 1 1 16 16 PHE HA H 16 4.611 4.611 4.676 -0.065 18970
50 1 . 1 1 16 16 PHE CA C 16 57.680 57.680 57.522 0.158 18970
51 1 . 1 1 16 16 PHE CB C 16 40.130 40.130 39.872 0.258 18970
52 1 . 1 1 16 16 PHE H H 16 8.345 8.345 8.351 -0.006 18970
53 1 . 1 1 17 17 VAL HA H 17 3.988 3.988 4.051 -0.063 18970
54 1 . 1 1 17 17 VAL CA C 17 62.070 62.070 62.750 -0.680 18970
55 1 . 1 1 17 17 VAL CB C 17 33.360 33.360 31.973 1.387 18970
56 1 . 1 1 17 17 VAL H H 17 8.049 8.049 8.268 -0.218 18970
stop_
save_