data_18405
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18405
_Entry.PDB_ID 2LS1
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 18405
_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 4.859 4.859 4.679 0.180 18405
2 1 1 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.742 -1.315 18405
3 1 1 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.867 -1.672 18405
4 1 1 . 1 1 2 2 VAL H H 2 9.194 9.194 8.224 0.970 18405
5 1 1 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.015 -0.145 18405
6 1 1 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.497 -0.721 18405
7 1 1 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.611 -3.038 18405
8 1 1 . 1 1 3 3 TRP H H 3 8.721 8.721 8.463 0.258 18405
9 1 1 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.973 -0.322 18405
10 1 1 . 1 1 4 4 GLY H H 4 8.193 8.193 7.732 0.461 18405
11 1 1 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.683 -2.567 18405
12 1 1 . 1 1 5 5 GLY H H 5 8.646 8.646 7.522 1.124 18405
13 1 1 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.753 0.155 18405
14 1 1 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.339 -3.789 18405
15 1 1 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.090 -4.516 18405
16 1 1 . 1 1 6 6 ASP H H 6 8.237 8.237 8.477 -0.240 18405
17 1 1 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.122 -0.221 18405
18 1 1 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.282 -3.072 18405
19 1 1 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.298 13.602 18405
20 1 1 . 1 1 7 7 CYS H H 7 7.835 7.835 8.015 -0.180 18405
21 1 1 . 1 1 8 8 THR HA H 8 4.629 4.629 4.616 0.013 18405
22 1 1 . 1 1 8 8 THR CA C 8 61.705 61.705 61.596 0.109 18405
23 1 1 . 1 1 8 8 THR CB C 8 68.438 68.438 71.737 -3.299 18405
24 1 1 . 1 1 8 8 THR H H 8 8.501 8.501 8.078 0.423 18405
25 1 1 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.532 0.080 18405
26 1 1 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.061 -1.091 18405
27 1 1 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.745 -4.992 18405
28 1 1 . 1 1 9 9 ASP H H 9 7.887 7.887 8.299 -0.412 18405
29 1 1 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.599 -0.190 18405
30 1 1 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.393 -1.614 18405
31 1 1 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.505 -0.307 18405
32 1 1 . 1 1 10 10 PHE H H 10 8.541 8.541 8.151 0.390 18405
33 1 1 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.514 -0.550 18405
34 1 1 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.399 0.091 18405
35 1 1 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.291 -1.866 18405
36 1 1 . 1 1 11 11 LEU H H 11 8.530 8.530 8.409 0.121 18405
37 1 1 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.029 -1.285 18405
38 1 1 . 1 1 12 12 GLY H H 12 9.002 9.002 8.852 0.150 18405
39 1 1 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.934 -0.337 18405
40 1 1 . 1 1 13 13 CYS H H 13 8.628 8.628 8.105 0.523 18405
41 1 1 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.561 -0.687 18405
42 1 1 . 1 1 14 14 GLY H H 14 7.619 7.619 7.706 -0.087 18405
43 1 1 . 1 1 15 15 THR HA H 15 5.549 5.549 4.763 0.786 18405
44 1 1 . 1 1 15 15 THR CA C 15 58.660 58.660 60.381 -1.721 18405
45 1 1 . 1 1 15 15 THR CB C 15 71.883 71.883 70.639 1.244 18405
46 1 1 . 1 1 15 15 THR H H 15 9.207 9.207 8.111 1.096 18405
47 1 1 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.328 0.205 18405
48 1 1 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.889 -2.389 18405
49 1 1 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.197 -0.211 18405
50 1 1 . 1 1 16 16 ALA H H 16 8.234 8.234 7.700 0.534 18405
51 1 1 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.767 0.123 18405
52 1 1 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.792 -2.595 18405
53 1 1 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.054 -1.932 18405
54 1 1 . 1 1 17 17 TRP H H 17 8.374 8.374 8.167 0.207 18405
55 1 1 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.228 0.115 18405
56 1 1 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.220 -2.670 18405
57 1 1 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.986 0.030 18405
58 1 1 . 1 1 18 18 ILE H H 18 7.112 7.112 8.019 -0.907 18405
59 1 1 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.840 0.005 18405
60 1 1 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.751 -5.161 18405
61 1 1 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.550 12.877 18405
62 1 1 . 1 1 19 19 CYS H H 19 8.517 8.517 8.544 -0.027 18405
63 1 2 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.508 0.351 18405
64 1 2 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.608 -1.181 18405
65 1 2 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.873 -1.678 18405
66 1 2 . 1 1 2 2 VAL H H 2 9.194 9.194 7.940 1.254 18405
67 1 2 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.128 -0.258 18405
68 1 2 . 1 1 3 3 TRP CA C 3 55.776 55.776 57.246 -1.470 18405
69 1 2 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.584 -2.011 18405
70 1 2 . 1 1 3 3 TRP H H 3 8.721 8.721 8.517 0.204 18405
71 1 2 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.590 0.061 18405
72 1 2 . 1 1 4 4 GLY H H 4 8.193 8.193 8.158 0.035 18405
73 1 2 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.007 -2.891 18405
74 1 2 . 1 1 5 5 GLY H H 5 8.646 8.646 7.250 1.396 18405
75 1 2 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.726 0.182 18405
76 1 2 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.808 -3.258 18405
77 1 2 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.997 -4.423 18405
78 1 2 . 1 1 6 6 ASP H H 6 8.237 8.237 8.456 -0.219 18405
79 1 2 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.904 -0.003 18405
80 1 2 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.446 -3.236 18405
81 1 2 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.924 13.976 18405
82 1 2 . 1 1 7 7 CYS H H 7 7.835 7.835 7.689 0.146 18405
83 1 2 . 1 1 8 8 THR HA H 8 4.629 4.629 4.897 -0.268 18405
84 1 2 . 1 1 8 8 THR CA C 8 61.705 61.705 61.688 0.017 18405
85 1 2 . 1 1 8 8 THR CB C 8 68.438 68.438 72.760 -4.322 18405
86 1 2 . 1 1 8 8 THR H H 8 8.501 8.501 8.003 0.498 18405
87 1 2 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.480 0.132 18405
88 1 2 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.951 -0.981 18405
89 1 2 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.760 -5.005 18405
90 1 2 . 1 1 9 9 ASP H H 9 7.887 7.887 8.115 -0.228 18405
91 1 2 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.633 -0.224 18405
92 1 2 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.254 -1.474 18405
93 1 2 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.076 0.122 18405
94 1 2 . 1 1 10 10 PHE H H 10 8.541 8.541 7.894 0.647 18405
95 1 2 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.468 -0.504 18405
96 1 2 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.477 0.013 18405
97 1 2 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.278 -1.853 18405
98 1 2 . 1 1 11 11 LEU H H 11 8.530 8.530 8.392 0.138 18405
99 1 2 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.850 -1.106 18405
100 1 2 . 1 1 12 12 GLY H H 12 9.002 9.002 8.911 0.091 18405
101 1 2 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.468 0.129 18405
102 1 2 . 1 1 13 13 CYS H H 13 8.628 8.628 8.084 0.544 18405
103 1 2 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.457 -0.583 18405
104 1 2 . 1 1 14 14 GLY H H 14 7.619 7.619 7.639 -0.020 18405
105 1 2 . 1 1 15 15 THR HA H 15 5.549 5.549 4.869 0.680 18405
106 1 2 . 1 1 15 15 THR CA C 15 58.660 58.660 60.226 -1.566 18405
107 1 2 . 1 1 15 15 THR CB C 15 71.883 71.883 70.655 1.228 18405
108 1 2 . 1 1 15 15 THR H H 15 9.207 9.207 7.954 1.253 18405
109 1 2 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.309 0.224 18405
110 1 2 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.257 -2.756 18405
111 1 2 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.624 -0.638 18405
112 1 2 . 1 1 16 16 ALA H H 16 8.234 8.234 8.246 -0.012 18405
113 1 2 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.717 0.173 18405
114 1 2 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.941 -2.744 18405
115 1 2 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.128 -2.006 18405
116 1 2 . 1 1 17 17 TRP H H 17 8.374 8.374 8.247 0.127 18405
117 1 2 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.195 0.148 18405
118 1 2 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.028 -2.478 18405
119 1 2 . 1 1 18 18 ILE CB C 18 38.017 38.017 36.405 1.612 18405
120 1 2 . 1 1 18 18 ILE H H 18 7.112 7.112 7.806 -0.694 18405
121 1 2 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.716 0.129 18405
122 1 2 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.532 -4.942 18405
123 1 2 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.655 12.772 18405
124 1 2 . 1 1 19 19 CYS H H 19 8.517 8.517 8.539 -0.022 18405
125 1 3 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.698 0.161 18405
126 1 3 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.764 -1.337 18405
127 1 3 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.954 -1.759 18405
128 1 3 . 1 1 2 2 VAL H H 2 9.194 9.194 8.401 0.793 18405
129 1 3 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.145 -0.275 18405
130 1 3 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.293 -0.517 18405
131 1 3 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.136 -3.562 18405
132 1 3 . 1 1 3 3 TRP H H 3 8.721 8.721 8.431 0.290 18405
133 1 3 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.914 -0.263 18405
134 1 3 . 1 1 4 4 GLY H H 4 8.193 8.193 7.787 0.406 18405
135 1 3 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.733 -2.617 18405
136 1 3 . 1 1 5 5 GLY H H 5 8.646 8.646 7.208 1.438 18405
137 1 3 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.752 0.156 18405
138 1 3 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.303 -3.752 18405
139 1 3 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.164 -4.590 18405
140 1 3 . 1 1 6 6 ASP H H 6 8.237 8.237 8.426 -0.189 18405
141 1 3 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.116 -0.215 18405
142 1 3 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.391 -3.181 18405
143 1 3 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.988 13.912 18405
144 1 3 . 1 1 7 7 CYS H H 7 7.835 7.835 7.996 -0.161 18405
145 1 3 . 1 1 8 8 THR HA H 8 4.629 4.629 4.633 -0.004 18405
146 1 3 . 1 1 8 8 THR CA C 8 61.705 61.705 61.934 -0.228 18405
147 1 3 . 1 1 8 8 THR CB C 8 68.438 68.438 72.191 -3.753 18405
148 1 3 . 1 1 8 8 THR H H 8 8.501 8.501 8.179 0.322 18405
149 1 3 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.541 0.071 18405
150 1 3 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.163 -1.193 18405
151 1 3 . 1 1 9 9 ASP CB C 9 35.754 35.754 41.066 -5.312 18405
152 1 3 . 1 1 9 9 ASP H H 9 7.887 7.887 8.079 -0.192 18405
153 1 3 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.642 -0.233 18405
154 1 3 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.447 -1.668 18405
155 1 3 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.611 -0.413 18405
156 1 3 . 1 1 10 10 PHE H H 10 8.541 8.541 8.185 0.356 18405
157 1 3 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.290 -0.326 18405
158 1 3 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.015 -0.525 18405
159 1 3 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.738 -1.313 18405
160 1 3 . 1 1 11 11 LEU H H 11 8.530 8.530 8.575 -0.045 18405
161 1 3 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.139 -1.395 18405
162 1 3 . 1 1 12 12 GLY H H 12 9.002 9.002 8.865 0.137 18405
163 1 3 . 1 1 13 13 CYS HA H 13 4.597 4.597 5.033 -0.436 18405
164 1 3 . 1 1 13 13 CYS H H 13 8.628 8.628 8.040 0.588 18405
165 1 3 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.721 -0.847 18405
166 1 3 . 1 1 14 14 GLY H H 14 7.619 7.619 7.764 -0.145 18405
167 1 3 . 1 1 15 15 THR HA H 15 5.549 5.549 4.755 0.794 18405
168 1 3 . 1 1 15 15 THR CA C 15 58.660 58.660 60.040 -1.380 18405
169 1 3 . 1 1 15 15 THR CB C 15 71.883 71.883 70.462 1.421 18405
170 1 3 . 1 1 15 15 THR H H 15 9.207 9.207 8.031 1.176 18405
171 1 3 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.389 0.144 18405
172 1 3 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.872 -2.372 18405
173 1 3 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.078 -0.092 18405
174 1 3 . 1 1 16 16 ALA H H 16 8.234 8.234 7.558 0.676 18405
175 1 3 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.698 0.192 18405
176 1 3 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.609 -3.412 18405
177 1 3 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.903 -1.781 18405
178 1 3 . 1 1 17 17 TRP H H 17 8.374 8.374 8.159 0.215 18405
179 1 3 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.399 -0.056 18405
180 1 3 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.114 -2.564 18405
181 1 3 . 1 1 18 18 ILE CB C 18 38.017 38.017 39.093 -1.076 18405
182 1 3 . 1 1 18 18 ILE H H 18 7.112 7.112 7.898 -0.786 18405
183 1 3 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.829 0.016 18405
184 1 3 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.642 -5.052 18405
185 1 3 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.364 13.063 18405
186 1 3 . 1 1 19 19 CYS H H 19 8.517 8.517 8.284 0.233 18405
187 1 4 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.595 0.264 18405
188 1 4 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.627 -1.200 18405
189 1 4 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.564 -1.369 18405
190 1 4 . 1 1 2 2 VAL H H 2 9.194 9.194 8.111 1.083 18405
191 1 4 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.007 -0.137 18405
192 1 4 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.448 -0.672 18405
193 1 4 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.646 -3.073 18405
194 1 4 . 1 1 3 3 TRP H H 3 8.721 8.721 8.409 0.312 18405
195 1 4 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.028 -0.377 18405
196 1 4 . 1 1 4 4 GLY H H 4 8.193 8.193 7.760 0.433 18405
197 1 4 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.739 -2.623 18405
198 1 4 . 1 1 5 5 GLY H H 5 8.646 8.646 7.589 1.057 18405
199 1 4 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.757 0.151 18405
200 1 4 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.620 -3.070 18405
201 1 4 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.651 -4.077 18405
202 1 4 . 1 1 6 6 ASP H H 6 8.237 8.237 8.737 -0.500 18405
203 1 4 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.784 0.117 18405
204 1 4 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.816 -3.606 18405
205 1 4 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.816 14.084 18405
206 1 4 . 1 1 7 7 CYS H H 7 7.835 7.835 7.627 0.208 18405
207 1 4 . 1 1 8 8 THR HA H 8 4.629 4.629 4.653 -0.024 18405
208 1 4 . 1 1 8 8 THR CA C 8 61.705 61.705 61.553 0.152 18405
209 1 4 . 1 1 8 8 THR CB C 8 68.438 68.438 72.472 -4.034 18405
210 1 4 . 1 1 8 8 THR H H 8 8.501 8.501 7.707 0.794 18405
211 1 4 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.511 0.101 18405
212 1 4 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.150 -1.180 18405
213 1 4 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.703 -4.949 18405
214 1 4 . 1 1 9 9 ASP H H 9 7.887 7.887 8.292 -0.405 18405
215 1 4 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.602 -0.193 18405
216 1 4 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.395 -1.616 18405
217 1 4 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.499 -0.301 18405
218 1 4 . 1 1 10 10 PHE H H 10 8.541 8.541 8.148 0.393 18405
219 1 4 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.511 -0.547 18405
220 1 4 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.409 0.081 18405
221 1 4 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.282 -1.857 18405
222 1 4 . 1 1 11 11 LEU H H 11 8.530 8.530 8.411 0.119 18405
223 1 4 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.028 -1.284 18405
224 1 4 . 1 1 12 12 GLY H H 12 9.002 9.002 8.851 0.151 18405
225 1 4 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.931 -0.334 18405
226 1 4 . 1 1 13 13 CYS H H 13 8.628 8.628 8.107 0.521 18405
227 1 4 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.619 -0.745 18405
228 1 4 . 1 1 14 14 GLY H H 14 7.619 7.619 7.756 -0.137 18405
229 1 4 . 1 1 15 15 THR HA H 15 5.549 5.549 4.762 0.787 18405
230 1 4 . 1 1 15 15 THR CA C 15 58.660 58.660 60.269 -1.609 18405
231 1 4 . 1 1 15 15 THR CB C 15 71.883 71.883 70.454 1.429 18405
232 1 4 . 1 1 15 15 THR H H 15 9.207 9.207 8.073 1.134 18405
233 1 4 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.419 0.114 18405
234 1 4 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.196 -2.696 18405
235 1 4 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.471 -0.485 18405
236 1 4 . 1 1 16 16 ALA H H 16 8.234 8.234 7.581 0.653 18405
237 1 4 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.968 -0.078 18405
238 1 4 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.057 -1.860 18405
239 1 4 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.398 -2.276 18405
240 1 4 . 1 1 17 17 TRP H H 17 8.374 8.374 8.273 0.101 18405
241 1 4 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.200 0.143 18405
242 1 4 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.622 -3.072 18405
243 1 4 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.039 -0.023 18405
244 1 4 . 1 1 18 18 ILE H H 18 7.112 7.112 8.041 -0.929 18405
245 1 4 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.727 0.118 18405
246 1 4 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.564 -5.974 18405
247 1 4 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.253 14.174 18405
248 1 4 . 1 1 19 19 CYS H H 19 8.517 8.517 8.802 -0.285 18405
249 1 5 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.673 0.186 18405
250 1 5 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.722 -1.295 18405
251 1 5 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.691 -1.496 18405
252 1 5 . 1 1 2 2 VAL H H 2 9.194 9.194 8.329 0.865 18405
253 1 5 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.037 -0.167 18405
254 1 5 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.467 -0.691 18405
255 1 5 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.718 -3.145 18405
256 1 5 . 1 1 3 3 TRP H H 3 8.721 8.721 8.422 0.299 18405
257 1 5 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.934 -0.283 18405
258 1 5 . 1 1 4 4 GLY H H 4 8.193 8.193 7.806 0.387 18405
259 1 5 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.761 -2.645 18405
260 1 5 . 1 1 5 5 GLY H H 5 8.646 8.646 7.170 1.476 18405
261 1 5 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.753 0.155 18405
262 1 5 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.327 -3.777 18405
263 1 5 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.112 -4.538 18405
264 1 5 . 1 1 6 6 ASP H H 6 8.237 8.237 8.454 -0.217 18405
265 1 5 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.109 -0.208 18405
266 1 5 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.312 -3.102 18405
267 1 5 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.369 13.531 18405
268 1 5 . 1 1 7 7 CYS H H 7 7.835 7.835 8.100 -0.265 18405
269 1 5 . 1 1 8 8 THR HA H 8 4.629 4.629 4.678 -0.049 18405
270 1 5 . 1 1 8 8 THR CA C 8 61.705 61.705 61.700 0.005 18405
271 1 5 . 1 1 8 8 THR CB C 8 68.438 68.438 71.863 -3.425 18405
272 1 5 . 1 1 8 8 THR H H 8 8.501 8.501 8.168 0.333 18405
273 1 5 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.449 0.163 18405
274 1 5 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.899 -0.929 18405
275 1 5 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.547 -4.793 18405
276 1 5 . 1 1 9 9 ASP H H 9 7.887 7.887 8.218 -0.331 18405
277 1 5 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.676 -0.267 18405
278 1 5 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.244 -1.465 18405
279 1 5 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.222 -0.024 18405
280 1 5 . 1 1 10 10 PHE H H 10 8.541 8.541 8.065 0.476 18405
281 1 5 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.272 -0.308 18405
282 1 5 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.045 -0.555 18405
283 1 5 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.702 -1.277 18405
284 1 5 . 1 1 11 11 LEU H H 11 8.530 8.530 8.580 -0.050 18405
285 1 5 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.020 -1.276 18405
286 1 5 . 1 1 12 12 GLY H H 12 9.002 9.002 8.989 0.013 18405
287 1 5 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.475 0.122 18405
288 1 5 . 1 1 13 13 CYS H H 13 8.628 8.628 8.060 0.568 18405
289 1 5 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.660 -0.786 18405
290 1 5 . 1 1 14 14 GLY H H 14 7.619 7.619 7.722 -0.103 18405
291 1 5 . 1 1 15 15 THR HA H 15 5.549 5.549 4.799 0.750 18405
292 1 5 . 1 1 15 15 THR CA C 15 58.660 58.660 59.956 -1.296 18405
293 1 5 . 1 1 15 15 THR CB C 15 71.883 71.883 70.549 1.334 18405
294 1 5 . 1 1 15 15 THR H H 15 9.207 9.207 7.978 1.229 18405
295 1 5 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.345 0.188 18405
296 1 5 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.142 -2.642 18405
297 1 5 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.035 -0.049 18405
298 1 5 . 1 1 16 16 ALA H H 16 8.234 8.234 7.557 0.677 18405
299 1 5 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.750 0.140 18405
300 1 5 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.841 -2.644 18405
301 1 5 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.013 -1.891 18405
302 1 5 . 1 1 17 17 TRP H H 17 8.374 8.374 8.166 0.208 18405
303 1 5 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.226 0.117 18405
304 1 5 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.212 -2.662 18405
305 1 5 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.013 0.004 18405
306 1 5 . 1 1 18 18 ILE H H 18 7.112 7.112 8.024 -0.912 18405
307 1 5 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.848 -0.003 18405
308 1 5 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.795 -5.205 18405
309 1 5 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.639 12.789 18405
310 1 5 . 1 1 19 19 CYS H H 19 8.517 8.517 8.562 -0.045 18405
311 1 6 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.562 0.297 18405
312 1 6 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.590 -1.163 18405
313 1 6 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.950 -1.755 18405
314 1 6 . 1 1 2 2 VAL H H 2 9.194 9.194 7.864 1.330 18405
315 1 6 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.129 -0.259 18405
316 1 6 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.856 -1.080 18405
317 1 6 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.954 -2.381 18405
318 1 6 . 1 1 3 3 TRP H H 3 8.721 8.721 8.488 0.233 18405
319 1 6 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.760 -0.109 18405
320 1 6 . 1 1 4 4 GLY H H 4 8.193 8.193 8.085 0.108 18405
321 1 6 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.585 -2.469 18405
322 1 6 . 1 1 5 5 GLY H H 5 8.646 8.646 7.618 1.028 18405
323 1 6 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.746 0.162 18405
324 1 6 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.502 -3.952 18405
325 1 6 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.096 -4.522 18405
326 1 6 . 1 1 6 6 ASP H H 6 8.237 8.237 8.381 -0.144 18405
327 1 6 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.009 -0.108 18405
328 1 6 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.785 -4.575 18405
329 1 6 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.487 13.413 18405
330 1 6 . 1 1 7 7 CYS H H 7 7.835 7.835 7.894 -0.059 18405
331 1 6 . 1 1 8 8 THR HA H 8 4.629 4.629 4.717 -0.088 18405
332 1 6 . 1 1 8 8 THR CA C 8 61.705 61.705 61.217 0.488 18405
333 1 6 . 1 1 8 8 THR CB C 8 68.438 68.438 71.596 -3.158 18405
334 1 6 . 1 1 8 8 THR H H 8 8.501 8.501 7.875 0.626 18405
335 1 6 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.565 0.047 18405
336 1 6 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.154 -1.184 18405
337 1 6 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.966 -5.212 18405
338 1 6 . 1 1 9 9 ASP H H 9 7.887 7.887 8.163 -0.276 18405
339 1 6 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.569 -0.160 18405
340 1 6 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.483 -1.704 18405
341 1 6 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.417 -0.219 18405
342 1 6 . 1 1 10 10 PHE H H 10 8.541 8.541 8.148 0.393 18405
343 1 6 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.481 -0.516 18405
344 1 6 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.449 0.041 18405
345 1 6 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.307 -1.882 18405
346 1 6 . 1 1 11 11 LEU H H 11 8.530 8.530 8.398 0.132 18405
347 1 6 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.002 -1.258 18405
348 1 6 . 1 1 12 12 GLY H H 12 9.002 9.002 8.821 0.181 18405
349 1 6 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.946 -0.349 18405
350 1 6 . 1 1 13 13 CYS H H 13 8.628 8.628 8.057 0.571 18405
351 1 6 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.607 -0.733 18405
352 1 6 . 1 1 14 14 GLY H H 14 7.619 7.619 7.649 -0.030 18405
353 1 6 . 1 1 15 15 THR HA H 15 5.549 5.549 4.759 0.790 18405
354 1 6 . 1 1 15 15 THR CA C 15 58.660 58.660 59.789 -1.129 18405
355 1 6 . 1 1 15 15 THR CB C 15 71.883 71.883 70.634 1.249 18405
356 1 6 . 1 1 15 15 THR H H 15 9.207 9.207 8.010 1.197 18405
357 1 6 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.216 0.317 18405
358 1 6 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.273 -2.773 18405
359 1 6 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.598 -0.612 18405
360 1 6 . 1 1 16 16 ALA H H 16 8.234 8.234 7.778 0.456 18405
361 1 6 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.777 0.114 18405
362 1 6 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.668 -2.471 18405
363 1 6 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.108 -1.986 18405
364 1 6 . 1 1 17 17 TRP H H 17 8.374 8.374 8.239 0.135 18405
365 1 6 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.080 0.263 18405
366 1 6 . 1 1 18 18 ILE CA C 18 58.550 58.550 60.970 -2.420 18405
367 1 6 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.910 0.107 18405
368 1 6 . 1 1 18 18 ILE H H 18 7.112 7.112 7.879 -0.767 18405
369 1 6 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.538 0.307 18405
370 1 6 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.438 -5.848 18405
371 1 6 . 1 1 19 19 CYS CB C 19 42.427 42.427 27.948 14.479 18405
372 1 6 . 1 1 19 19 CYS H H 19 8.517 8.517 8.492 0.025 18405
373 1 7 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.629 0.230 18405
374 1 7 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.763 -1.336 18405
375 1 7 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.750 -1.555 18405
376 1 7 . 1 1 2 2 VAL H H 2 9.194 9.194 8.315 0.879 18405
377 1 7 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.160 -0.290 18405
378 1 7 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.157 -0.381 18405
379 1 7 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.193 -3.620 18405
380 1 7 . 1 1 3 3 TRP H H 3 8.721 8.721 8.350 0.371 18405
381 1 7 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.922 -0.271 18405
382 1 7 . 1 1 4 4 GLY H H 4 8.193 8.193 7.776 0.417 18405
383 1 7 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.784 -2.668 18405
384 1 7 . 1 1 5 5 GLY H H 5 8.646 8.646 7.167 1.479 18405
385 1 7 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.687 0.221 18405
386 1 7 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.685 -3.135 18405
387 1 7 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.956 -4.382 18405
388 1 7 . 1 1 6 6 ASP H H 6 8.237 8.237 8.502 -0.265 18405
389 1 7 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.126 -0.225 18405
390 1 7 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.441 -3.231 18405
391 1 7 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.018 13.882 18405
392 1 7 . 1 1 7 7 CYS H H 7 7.835 7.835 7.835 0.000 18405
393 1 7 . 1 1 8 8 THR HA H 8 4.629 4.629 4.615 0.014 18405
394 1 7 . 1 1 8 8 THR CA C 8 61.705 61.705 61.532 0.173 18405
395 1 7 . 1 1 8 8 THR CB C 8 68.438 68.438 71.669 -3.232 18405
396 1 7 . 1 1 8 8 THR H H 8 8.501 8.501 8.073 0.428 18405
397 1 7 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.445 0.167 18405
398 1 7 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.897 -0.927 18405
399 1 7 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.543 -4.789 18405
400 1 7 . 1 1 9 9 ASP H H 9 7.887 7.887 8.228 -0.341 18405
401 1 7 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.675 -0.266 18405
402 1 7 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.293 -1.514 18405
403 1 7 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.232 -0.034 18405
404 1 7 . 1 1 10 10 PHE H H 10 8.541 8.541 7.909 0.632 18405
405 1 7 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.372 -0.408 18405
406 1 7 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.694 -0.204 18405
407 1 7 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.952 -1.526 18405
408 1 7 . 1 1 11 11 LEU H H 11 8.530 8.530 8.524 0.006 18405
409 1 7 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.952 -1.208 18405
410 1 7 . 1 1 12 12 GLY H H 12 9.002 9.002 8.923 0.079 18405
411 1 7 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.468 0.129 18405
412 1 7 . 1 1 13 13 CYS H H 13 8.628 8.628 8.124 0.504 18405
413 1 7 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.549 -0.675 18405
414 1 7 . 1 1 14 14 GLY H H 14 7.619 7.619 7.662 -0.043 18405
415 1 7 . 1 1 15 15 THR HA H 15 5.549 5.549 4.793 0.756 18405
416 1 7 . 1 1 15 15 THR CA C 15 58.660 58.660 60.184 -1.524 18405
417 1 7 . 1 1 15 15 THR CB C 15 71.883 71.883 70.704 1.179 18405
418 1 7 . 1 1 15 15 THR H H 15 9.207 9.207 8.072 1.135 18405
419 1 7 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.358 0.175 18405
420 1 7 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.741 -2.241 18405
421 1 7 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.284 -0.298 18405
422 1 7 . 1 1 16 16 ALA H H 16 8.234 8.234 7.630 0.604 18405
423 1 7 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.730 0.160 18405
424 1 7 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.893 -2.696 18405
425 1 7 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.044 -1.922 18405
426 1 7 . 1 1 17 17 TRP H H 17 8.374 8.374 8.119 0.255 18405
427 1 7 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.233 0.110 18405
428 1 7 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.043 -2.493 18405
429 1 7 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.205 -0.188 18405
430 1 7 . 1 1 18 18 ILE H H 18 7.112 7.112 8.041 -0.929 18405
431 1 7 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.656 0.189 18405
432 1 7 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.870 -6.280 18405
433 1 7 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.487 13.940 18405
434 1 7 . 1 1 19 19 CYS H H 19 8.517 8.517 8.707 -0.190 18405
435 1 8 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.625 0.234 18405
436 1 8 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.639 -1.212 18405
437 1 8 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.662 -1.467 18405
438 1 8 . 1 1 2 2 VAL H H 2 9.194 9.194 7.992 1.202 18405
439 1 8 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.026 -0.156 18405
440 1 8 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.390 -0.614 18405
441 1 8 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.675 -3.102 18405
442 1 8 . 1 1 3 3 TRP H H 3 8.721 8.721 8.485 0.236 18405
443 1 8 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.980 -0.329 18405
444 1 8 . 1 1 4 4 GLY H H 4 8.193 8.193 7.811 0.382 18405
445 1 8 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.805 -2.689 18405
446 1 8 . 1 1 5 5 GLY H H 5 8.646 8.646 7.181 1.465 18405
447 1 8 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.757 0.151 18405
448 1 8 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.329 -3.779 18405
449 1 8 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.123 -4.550 18405
450 1 8 . 1 1 6 6 ASP H H 6 8.237 8.237 8.417 -0.180 18405
451 1 8 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.861 0.040 18405
452 1 8 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.276 -3.066 18405
453 1 8 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.182 13.718 18405
454 1 8 . 1 1 7 7 CYS H H 7 7.835 7.835 7.695 0.140 18405
455 1 8 . 1 1 8 8 THR HA H 8 4.629 4.629 4.864 -0.235 18405
456 1 8 . 1 1 8 8 THR CA C 8 61.705 61.705 61.074 0.631 18405
457 1 8 . 1 1 8 8 THR CB C 8 68.438 68.438 72.346 -3.908 18405
458 1 8 . 1 1 8 8 THR H H 8 8.501 8.501 7.887 0.614 18405
459 1 8 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.617 -0.005 18405
460 1 8 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.123 -1.153 18405
461 1 8 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.975 -5.221 18405
462 1 8 . 1 1 9 9 ASP H H 9 7.887 7.887 8.152 -0.265 18405
463 1 8 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.578 -0.169 18405
464 1 8 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.573 -1.794 18405
465 1 8 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.422 -0.224 18405
466 1 8 . 1 1 10 10 PHE H H 10 8.541 8.541 8.254 0.287 18405
467 1 8 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.418 -0.454 18405
468 1 8 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.609 -0.119 18405
469 1 8 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.227 -1.802 18405
470 1 8 . 1 1 11 11 LEU H H 11 8.530 8.530 8.475 0.055 18405
471 1 8 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.981 -1.237 18405
472 1 8 . 1 1 12 12 GLY H H 12 9.002 9.002 8.916 0.086 18405
473 1 8 . 1 1 13 13 CYS HA H 13 4.597 4.597 5.204 -0.607 18405
474 1 8 . 1 1 13 13 CYS H H 13 8.628 8.628 8.301 0.327 18405
475 1 8 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.874 -1.000 18405
476 1 8 . 1 1 14 14 GLY H H 14 7.619 7.619 7.909 -0.290 18405
477 1 8 . 1 1 15 15 THR HA H 15 5.549 5.549 4.790 0.759 18405
478 1 8 . 1 1 15 15 THR CA C 15 58.660 58.660 60.372 -1.712 18405
479 1 8 . 1 1 15 15 THR CB C 15 71.883 71.883 70.528 1.355 18405
480 1 8 . 1 1 15 15 THR H H 15 9.207 9.207 8.218 0.989 18405
481 1 8 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.340 0.193 18405
482 1 8 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.394 -2.894 18405
483 1 8 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.784 -0.798 18405
484 1 8 . 1 1 16 16 ALA H H 16 8.234 8.234 8.116 0.118 18405
485 1 8 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.693 0.197 18405
486 1 8 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.907 -2.710 18405
487 1 8 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.300 -2.178 18405
488 1 8 . 1 1 17 17 TRP H H 17 8.374 8.374 8.322 0.052 18405
489 1 8 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.127 0.216 18405
490 1 8 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.620 -3.070 18405
491 1 8 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.527 0.490 18405
492 1 8 . 1 1 18 18 ILE H H 18 7.112 7.112 7.886 -0.774 18405
493 1 8 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.693 0.152 18405
494 1 8 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.547 -5.957 18405
495 1 8 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.622 13.805 18405
496 1 8 . 1 1 19 19 CYS H H 19 8.517 8.517 8.583 -0.066 18405
497 1 9 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.639 0.220 18405
498 1 9 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.840 -1.413 18405
499 1 9 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.796 -1.601 18405
500 1 9 . 1 1 2 2 VAL H H 2 9.194 9.194 8.185 1.009 18405
501 1 9 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.052 -0.182 18405
502 1 9 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.239 -0.463 18405
503 1 9 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.828 -3.255 18405
504 1 9 . 1 1 3 3 TRP H H 3 8.721 8.721 8.466 0.255 18405
505 1 9 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.915 -0.264 18405
506 1 9 . 1 1 4 4 GLY H H 4 8.193 8.193 7.686 0.507 18405
507 1 9 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.653 -2.537 18405
508 1 9 . 1 1 5 5 GLY H H 5 8.646 8.646 7.260 1.386 18405
509 1 9 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.750 0.158 18405
510 1 9 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.340 -3.790 18405
511 1 9 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.113 -4.539 18405
512 1 9 . 1 1 6 6 ASP H H 6 8.237 8.237 8.464 -0.227 18405
513 1 9 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.126 -0.225 18405
514 1 9 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.296 -3.086 18405
515 1 9 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.308 13.592 18405
516 1 9 . 1 1 7 7 CYS H H 7 7.835 7.835 8.024 -0.189 18405
517 1 9 . 1 1 8 8 THR HA H 8 4.629 4.629 4.617 0.012 18405
518 1 9 . 1 1 8 8 THR CA C 8 61.705 61.705 61.575 0.130 18405
519 1 9 . 1 1 8 8 THR CB C 8 68.438 68.438 71.729 -3.291 18405
520 1 9 . 1 1 8 8 THR H H 8 8.501 8.501 8.084 0.417 18405
521 1 9 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.533 0.079 18405
522 1 9 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.045 -1.075 18405
523 1 9 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.746 -4.992 18405
524 1 9 . 1 1 9 9 ASP H H 9 7.887 7.887 8.298 -0.411 18405
525 1 9 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.598 -0.189 18405
526 1 9 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.401 -1.622 18405
527 1 9 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.504 -0.306 18405
528 1 9 . 1 1 10 10 PHE H H 10 8.541 8.541 8.155 0.386 18405
529 1 9 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.514 -0.550 18405
530 1 9 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.401 0.089 18405
531 1 9 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.289 -1.864 18405
532 1 9 . 1 1 11 11 LEU H H 11 8.530 8.530 8.409 0.121 18405
533 1 9 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.026 -1.282 18405
534 1 9 . 1 1 12 12 GLY H H 12 9.002 9.002 8.852 0.150 18405
535 1 9 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.934 -0.337 18405
536 1 9 . 1 1 13 13 CYS H H 13 8.628 8.628 8.102 0.526 18405
537 1 9 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.641 -0.767 18405
538 1 9 . 1 1 14 14 GLY H H 14 7.619 7.619 7.754 -0.135 18405
539 1 9 . 1 1 15 15 THR HA H 15 5.549 5.549 4.716 0.833 18405
540 1 9 . 1 1 15 15 THR CA C 15 58.660 58.660 60.251 -1.591 18405
541 1 9 . 1 1 15 15 THR CB C 15 71.883 71.883 70.457 1.426 18405
542 1 9 . 1 1 15 15 THR H H 15 9.207 9.207 8.063 1.144 18405
543 1 9 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.376 0.157 18405
544 1 9 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.862 -2.362 18405
545 1 9 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.411 -0.425 18405
546 1 9 . 1 1 16 16 ALA H H 16 8.234 8.234 7.559 0.675 18405
547 1 9 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.708 0.182 18405
548 1 9 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.550 -3.353 18405
549 1 9 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.921 -1.799 18405
550 1 9 . 1 1 17 17 TRP H H 17 8.374 8.374 8.160 0.214 18405
551 1 9 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.395 -0.052 18405
552 1 9 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.017 -2.467 18405
553 1 9 . 1 1 18 18 ILE CB C 18 38.017 38.017 39.363 -1.346 18405
554 1 9 . 1 1 18 18 ILE H H 18 7.112 7.112 7.931 -0.819 18405
555 1 9 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.685 0.160 18405
556 1 9 . 1 1 19 19 CYS CA C 19 52.590 52.590 59.123 -6.532 18405
557 1 9 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.646 13.781 18405
558 1 9 . 1 1 19 19 CYS H H 19 8.517 8.517 8.639 -0.122 18405
559 1 10 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.660 0.199 18405
560 1 10 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.920 -1.493 18405
561 1 10 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.714 -1.519 18405
562 1 10 . 1 1 2 2 VAL H H 2 9.194 9.194 8.437 0.757 18405
563 1 10 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.224 -0.354 18405
564 1 10 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.393 -0.617 18405
565 1 10 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.423 -3.850 18405
566 1 10 . 1 1 3 3 TRP H H 3 8.721 8.721 8.385 0.336 18405
567 1 10 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.903 -0.252 18405
568 1 10 . 1 1 4 4 GLY H H 4 8.193 8.193 7.783 0.410 18405
569 1 10 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.715 -2.599 18405
570 1 10 . 1 1 5 5 GLY H H 5 8.646 8.646 7.166 1.480 18405
571 1 10 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.686 0.222 18405
572 1 10 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.665 -3.115 18405
573 1 10 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.967 -4.393 18405
574 1 10 . 1 1 6 6 ASP H H 6 8.237 8.237 8.489 -0.252 18405
575 1 10 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.125 -0.224 18405
576 1 10 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.427 -3.217 18405
577 1 10 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.116 13.784 18405
578 1 10 . 1 1 7 7 CYS H H 7 7.835 7.835 7.926 -0.091 18405
579 1 10 . 1 1 8 8 THR HA H 8 4.629 4.629 4.677 -0.048 18405
580 1 10 . 1 1 8 8 THR CA C 8 61.705 61.705 61.652 0.053 18405
581 1 10 . 1 1 8 8 THR CB C 8 68.438 68.438 71.832 -3.394 18405
582 1 10 . 1 1 8 8 THR H H 8 8.501 8.501 8.143 0.358 18405
583 1 10 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.410 0.202 18405
584 1 10 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.064 -1.094 18405
585 1 10 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.468 -4.714 18405
586 1 10 . 1 1 9 9 ASP H H 9 7.887 7.887 8.139 -0.252 18405
587 1 10 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.637 -0.228 18405
588 1 10 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.370 -1.591 18405
589 1 10 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.249 -0.051 18405
590 1 10 . 1 1 10 10 PHE H H 10 8.541 8.541 8.027 0.514 18405
591 1 10 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.424 -0.460 18405
592 1 10 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.460 0.030 18405
593 1 10 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.375 -1.950 18405
594 1 10 . 1 1 11 11 LEU H H 11 8.530 8.530 8.578 -0.048 18405
595 1 10 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.885 -1.141 18405
596 1 10 . 1 1 12 12 GLY H H 12 9.002 9.002 8.943 0.059 18405
597 1 10 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.472 0.125 18405
598 1 10 . 1 1 13 13 CYS H H 13 8.628 8.628 8.120 0.508 18405
599 1 10 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.737 -0.863 18405
600 1 10 . 1 1 14 14 GLY H H 14 7.619 7.619 7.683 -0.064 18405
601 1 10 . 1 1 15 15 THR HA H 15 5.549 5.549 4.787 0.762 18405
602 1 10 . 1 1 15 15 THR CA C 15 58.660 58.660 59.850 -1.190 18405
603 1 10 . 1 1 15 15 THR CB C 15 71.883 71.883 70.596 1.287 18405
604 1 10 . 1 1 15 15 THR H H 15 9.207 9.207 8.004 1.203 18405
605 1 10 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.379 0.154 18405
606 1 10 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.913 -2.413 18405
607 1 10 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.167 -0.181 18405
608 1 10 . 1 1 16 16 ALA H H 16 8.234 8.234 7.440 0.794 18405
609 1 10 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.735 0.155 18405
610 1 10 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.164 -2.967 18405
611 1 10 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.840 -1.718 18405
612 1 10 . 1 1 17 17 TRP H H 17 8.374 8.374 8.059 0.315 18405
613 1 10 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.284 0.059 18405
614 1 10 . 1 1 18 18 ILE CA C 18 58.550 58.550 60.703 -2.153 18405
615 1 10 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.420 0.597 18405
616 1 10 . 1 1 18 18 ILE H H 18 7.112 7.112 8.094 -0.982 18405
617 1 10 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.635 0.210 18405
618 1 10 . 1 1 19 19 CYS CA C 19 52.590 52.590 59.124 -6.535 18405
619 1 10 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.609 13.818 18405
620 1 10 . 1 1 19 19 CYS H H 19 8.517 8.517 8.817 -0.300 18405
621 1 11 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.513 0.346 18405
622 1 11 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.284 -0.857 18405
623 1 11 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.549 -1.354 18405
624 1 11 . 1 1 2 2 VAL H H 2 9.194 9.194 8.098 1.096 18405
625 1 11 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.102 -0.232 18405
626 1 11 . 1 1 3 3 TRP CA C 3 55.776 55.776 57.190 -1.414 18405
627 1 11 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.721 -2.148 18405
628 1 11 . 1 1 3 3 TRP H H 3 8.721 8.721 8.455 0.266 18405
629 1 11 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.585 0.066 18405
630 1 11 . 1 1 4 4 GLY H H 4 8.193 8.193 8.085 0.108 18405
631 1 11 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.079 -2.963 18405
632 1 11 . 1 1 5 5 GLY H H 5 8.646 8.646 7.280 1.366 18405
633 1 11 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.868 0.040 18405
634 1 11 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.442 -2.892 18405
635 1 11 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.098 -4.524 18405
636 1 11 . 1 1 6 6 ASP H H 6 8.237 8.237 8.603 -0.366 18405
637 1 11 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.034 -0.133 18405
638 1 11 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.594 -3.384 18405
639 1 11 . 1 1 7 7 CYS CB C 7 43.900 43.900 28.586 15.314 18405
640 1 11 . 1 1 7 7 CYS H H 7 7.835 7.835 7.682 0.153 18405
641 1 11 . 1 1 8 8 THR HA H 8 4.629 4.629 4.731 -0.102 18405
642 1 11 . 1 1 8 8 THR CA C 8 61.705 61.705 61.639 0.066 18405
643 1 11 . 1 1 8 8 THR CB C 8 68.438 68.438 71.763 -3.325 18405
644 1 11 . 1 1 8 8 THR H H 8 8.501 8.501 7.979 0.522 18405
645 1 11 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.433 0.179 18405
646 1 11 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.756 -0.786 18405
647 1 11 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.526 -4.772 18405
648 1 11 . 1 1 9 9 ASP H H 9 7.887 7.887 8.214 -0.327 18405
649 1 11 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.664 -0.255 18405
650 1 11 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.285 -1.506 18405
651 1 11 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.171 0.027 18405
652 1 11 . 1 1 10 10 PHE H H 10 8.541 8.541 8.076 0.465 18405
653 1 11 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.256 -0.292 18405
654 1 11 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.034 -0.544 18405
655 1 11 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.684 -1.259 18405
656 1 11 . 1 1 11 11 LEU H H 11 8.530 8.530 8.570 -0.041 18405
657 1 11 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.002 -1.258 18405
658 1 11 . 1 1 12 12 GLY H H 12 9.002 9.002 8.971 0.031 18405
659 1 11 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.467 0.130 18405
660 1 11 . 1 1 13 13 CYS H H 13 8.628 8.628 8.037 0.591 18405
661 1 11 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.568 -0.694 18405
662 1 11 . 1 1 14 14 GLY H H 14 7.619 7.619 7.690 -0.071 18405
663 1 11 . 1 1 15 15 THR HA H 15 5.549 5.549 4.875 0.674 18405
664 1 11 . 1 1 15 15 THR CA C 15 58.660 58.660 59.920 -1.260 18405
665 1 11 . 1 1 15 15 THR CB C 15 71.883 71.883 70.621 1.262 18405
666 1 11 . 1 1 15 15 THR H H 15 9.207 9.207 7.898 1.309 18405
667 1 11 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.412 0.121 18405
668 1 11 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.252 -2.752 18405
669 1 11 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.130 -0.144 18405
670 1 11 . 1 1 16 16 ALA H H 16 8.234 8.234 7.569 0.665 18405
671 1 11 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.780 0.110 18405
672 1 11 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.569 -2.372 18405
673 1 11 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.452 -2.330 18405
674 1 11 . 1 1 17 17 TRP H H 17 8.374 8.374 8.237 0.137 18405
675 1 11 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.200 0.143 18405
676 1 11 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.584 -3.034 18405
677 1 11 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.938 0.079 18405
678 1 11 . 1 1 18 18 ILE H H 18 7.112 7.112 8.051 -0.939 18405
679 1 11 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.699 0.146 18405
680 1 11 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.776 -6.186 18405
681 1 11 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.161 14.266 18405
682 1 11 . 1 1 19 19 CYS H H 19 8.517 8.517 8.688 -0.171 18405
683 1 12 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.371 0.488 18405
684 1 12 . 1 1 2 2 VAL CA C 2 58.427 58.427 61.139 -2.712 18405
685 1 12 . 1 1 2 2 VAL CB C 2 32.195 32.195 32.358 -0.164 18405
686 1 12 . 1 1 2 2 VAL H H 2 9.194 9.194 7.488 1.706 18405
687 1 12 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.214 -0.344 18405
688 1 12 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.024 -0.248 18405
689 1 12 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.384 -3.811 18405
690 1 12 . 1 1 3 3 TRP H H 3 8.721 8.721 8.210 0.511 18405
691 1 12 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.925 -0.274 18405
692 1 12 . 1 1 4 4 GLY H H 4 8.193 8.193 7.729 0.464 18405
693 1 12 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.679 -2.563 18405
694 1 12 . 1 1 5 5 GLY H H 5 8.646 8.646 7.164 1.482 18405
695 1 12 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.722 0.186 18405
696 1 12 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.408 -2.858 18405
697 1 12 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.030 -4.456 18405
698 1 12 . 1 1 6 6 ASP H H 6 8.237 8.237 8.531 -0.294 18405
699 1 12 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.876 0.025 18405
700 1 12 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.217 -3.007 18405
701 1 12 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.992 13.908 18405
702 1 12 . 1 1 7 7 CYS H H 7 7.835 7.835 7.536 0.299 18405
703 1 12 . 1 1 8 8 THR HA H 8 4.629 4.629 4.816 -0.187 18405
704 1 12 . 1 1 8 8 THR CA C 8 61.705 61.705 61.205 0.500 18405
705 1 12 . 1 1 8 8 THR CB C 8 68.438 68.438 72.408 -3.970 18405
706 1 12 . 1 1 8 8 THR H H 8 8.501 8.501 7.958 0.543 18405
707 1 12 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.593 0.019 18405
708 1 12 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.035 -1.065 18405
709 1 12 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.987 -5.234 18405
710 1 12 . 1 1 9 9 ASP H H 9 7.887 7.887 8.102 -0.215 18405
711 1 12 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.647 -0.238 18405
712 1 12 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.473 -1.694 18405
713 1 12 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.501 -0.303 18405
714 1 12 . 1 1 10 10 PHE H H 10 8.541 8.541 8.169 0.372 18405
715 1 12 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.265 -0.301 18405
716 1 12 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.031 -0.541 18405
717 1 12 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.643 -1.218 18405
718 1 12 . 1 1 11 11 LEU H H 11 8.530 8.530 8.585 -0.055 18405
719 1 12 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.153 -1.409 18405
720 1 12 . 1 1 12 12 GLY H H 12 9.002 9.002 8.901 0.101 18405
721 1 12 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.993 -0.396 18405
722 1 12 . 1 1 13 13 CYS H H 13 8.628 8.628 8.063 0.565 18405
723 1 12 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.614 -0.740 18405
724 1 12 . 1 1 14 14 GLY H H 14 7.619 7.619 7.796 -0.177 18405
725 1 12 . 1 1 15 15 THR HA H 15 5.549 5.549 4.751 0.798 18405
726 1 12 . 1 1 15 15 THR CA C 15 58.660 58.660 60.346 -1.687 18405
727 1 12 . 1 1 15 15 THR CB C 15 71.883 71.883 70.647 1.236 18405
728 1 12 . 1 1 15 15 THR H H 15 9.207 9.207 8.095 1.112 18405
729 1 12 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.263 0.270 18405
730 1 12 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.950 -2.450 18405
731 1 12 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.854 -0.868 18405
732 1 12 . 1 1 16 16 ALA H H 16 8.234 8.234 7.772 0.462 18405
733 1 12 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.745 0.145 18405
734 1 12 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.685 -2.488 18405
735 1 12 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.332 -2.210 18405
736 1 12 . 1 1 17 17 TRP H H 17 8.374 8.374 8.184 0.190 18405
737 1 12 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.254 0.089 18405
738 1 12 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.347 -2.797 18405
739 1 12 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.610 0.407 18405
740 1 12 . 1 1 18 18 ILE H H 18 7.112 7.112 7.989 -0.877 18405
741 1 12 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.830 0.015 18405
742 1 12 . 1 1 19 19 CYS CA C 19 52.590 52.590 56.588 -3.998 18405
743 1 12 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.683 13.744 18405
744 1 12 . 1 1 19 19 CYS H H 19 8.517 8.517 8.358 0.159 18405
745 1 13 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.602 0.257 18405
746 1 13 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.653 -1.226 18405
747 1 13 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.581 -1.386 18405
748 1 13 . 1 1 2 2 VAL H H 2 9.194 9.194 7.991 1.203 18405
749 1 13 . 1 1 3 3 TRP HA H 3 4.870 4.870 4.984 -0.114 18405
750 1 13 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.646 -0.870 18405
751 1 13 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.948 -3.375 18405
752 1 13 . 1 1 3 3 TRP H H 3 8.721 8.721 8.447 0.274 18405
753 1 13 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.117 -0.466 18405
754 1 13 . 1 1 4 4 GLY H H 4 8.193 8.193 8.008 0.185 18405
755 1 13 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.740 -2.624 18405
756 1 13 . 1 1 5 5 GLY H H 5 8.646 8.646 7.534 1.112 18405
757 1 13 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.737 0.171 18405
758 1 13 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.520 -3.970 18405
759 1 13 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.110 -4.536 18405
760 1 13 . 1 1 6 6 ASP H H 6 8.237 8.237 8.336 -0.099 18405
761 1 13 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.817 0.084 18405
762 1 13 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.294 -4.084 18405
763 1 13 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.504 13.396 18405
764 1 13 . 1 1 7 7 CYS H H 7 7.835 7.835 7.838 -0.003 18405
765 1 13 . 1 1 8 8 THR HA H 8 4.629 4.629 4.869 -0.240 18405
766 1 13 . 1 1 8 8 THR CA C 8 61.705 61.705 61.490 0.214 18405
767 1 13 . 1 1 8 8 THR CB C 8 68.438 68.438 72.644 -4.206 18405
768 1 13 . 1 1 8 8 THR H H 8 8.501 8.501 8.101 0.400 18405
769 1 13 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.544 0.068 18405
770 1 13 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.191 -1.221 18405
771 1 13 . 1 1 9 9 ASP CB C 9 35.754 35.754 41.032 -5.278 18405
772 1 13 . 1 1 9 9 ASP H H 9 7.887 7.887 8.161 -0.274 18405
773 1 13 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.579 -0.170 18405
774 1 13 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.471 -1.692 18405
775 1 13 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.368 -0.170 18405
776 1 13 . 1 1 10 10 PHE H H 10 8.541 8.541 8.178 0.363 18405
777 1 13 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.494 -0.530 18405
778 1 13 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.477 0.013 18405
779 1 13 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.324 -1.899 18405
780 1 13 . 1 1 11 11 LEU H H 11 8.530 8.530 8.404 0.126 18405
781 1 13 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.016 -1.272 18405
782 1 13 . 1 1 12 12 GLY H H 12 9.002 9.002 8.846 0.156 18405
783 1 13 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.954 -0.357 18405
784 1 13 . 1 1 13 13 CYS H H 13 8.628 8.628 8.076 0.552 18405
785 1 13 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.561 -0.687 18405
786 1 13 . 1 1 14 14 GLY H H 14 7.619 7.619 7.705 -0.086 18405
787 1 13 . 1 1 15 15 THR HA H 15 5.549 5.549 4.759 0.790 18405
788 1 13 . 1 1 15 15 THR CA C 15 58.660 58.660 60.173 -1.513 18405
789 1 13 . 1 1 15 15 THR CB C 15 71.883 71.883 70.596 1.287 18405
790 1 13 . 1 1 15 15 THR H H 15 9.207 9.207 8.187 1.020 18405
791 1 13 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.361 0.172 18405
792 1 13 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.860 -2.360 18405
793 1 13 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.453 -0.467 18405
794 1 13 . 1 1 16 16 ALA H H 16 8.234 8.234 7.860 0.374 18405
795 1 13 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.749 0.141 18405
796 1 13 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.540 -2.343 18405
797 1 13 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.151 -2.030 18405
798 1 13 . 1 1 17 17 TRP H H 17 8.374 8.374 8.335 0.039 18405
799 1 13 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.128 0.215 18405
800 1 13 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.794 -3.244 18405
801 1 13 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.317 0.700 18405
802 1 13 . 1 1 18 18 ILE H H 18 7.112 7.112 7.862 -0.750 18405
803 1 13 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.610 0.235 18405
804 1 13 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.743 -6.153 18405
805 1 13 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.141 13.286 18405
806 1 13 . 1 1 19 19 CYS H H 19 8.517 8.517 8.727 -0.210 18405
807 1 14 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.629 0.230 18405
808 1 14 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.760 -1.333 18405
809 1 14 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.608 -1.413 18405
810 1 14 . 1 1 2 2 VAL H H 2 9.194 9.194 8.123 1.071 18405
811 1 14 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.006 -0.136 18405
812 1 14 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.730 -0.954 18405
813 1 14 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.243 -3.671 18405
814 1 14 . 1 1 3 3 TRP H H 3 8.721 8.721 8.448 0.273 18405
815 1 14 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.095 -0.444 18405
816 1 14 . 1 1 4 4 GLY H H 4 8.193 8.193 7.948 0.245 18405
817 1 14 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.793 -2.677 18405
818 1 14 . 1 1 5 5 GLY H H 5 8.646 8.646 7.540 1.106 18405
819 1 14 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.746 0.162 18405
820 1 14 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.013 -3.463 18405
821 1 14 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.917 -4.343 18405
822 1 14 . 1 1 6 6 ASP H H 6 8.237 8.237 8.662 -0.425 18405
823 1 14 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.945 -0.044 18405
824 1 14 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.664 -4.454 18405
825 1 14 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.476 14.424 18405
826 1 14 . 1 1 7 7 CYS H H 7 7.835 7.835 7.733 0.102 18405
827 1 14 . 1 1 8 8 THR HA H 8 4.629 4.629 4.681 -0.052 18405
828 1 14 . 1 1 8 8 THR CA C 8 61.705 61.705 61.468 0.237 18405
829 1 14 . 1 1 8 8 THR CB C 8 68.438 68.438 71.476 -3.038 18405
830 1 14 . 1 1 8 8 THR H H 8 8.501 8.501 7.989 0.512 18405
831 1 14 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.515 0.097 18405
832 1 14 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.067 -1.097 18405
833 1 14 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.720 -4.966 18405
834 1 14 . 1 1 9 9 ASP H H 9 7.887 7.887 8.300 -0.413 18405
835 1 14 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.590 -0.181 18405
836 1 14 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.428 -1.649 18405
837 1 14 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.445 -0.247 18405
838 1 14 . 1 1 10 10 PHE H H 10 8.541 8.541 8.164 0.377 18405
839 1 14 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.502 -0.538 18405
840 1 14 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.448 0.042 18405
841 1 14 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.306 -1.881 18405
842 1 14 . 1 1 11 11 LEU H H 11 8.530 8.530 8.408 0.122 18405
843 1 14 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.020 -1.276 18405
844 1 14 . 1 1 12 12 GLY H H 12 9.002 9.002 8.847 0.155 18405
845 1 14 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.938 -0.341 18405
846 1 14 . 1 1 13 13 CYS H H 13 8.628 8.628 8.091 0.537 18405
847 1 14 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.552 -0.678 18405
848 1 14 . 1 1 14 14 GLY H H 14 7.619 7.619 7.699 -0.080 18405
849 1 14 . 1 1 15 15 THR HA H 15 5.549 5.549 4.738 0.811 18405
850 1 14 . 1 1 15 15 THR CA C 15 58.660 58.660 60.189 -1.529 18405
851 1 14 . 1 1 15 15 THR CB C 15 71.883 71.883 70.602 1.281 18405
852 1 14 . 1 1 15 15 THR H H 15 9.207 9.207 8.159 1.048 18405
853 1 14 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.312 0.221 18405
854 1 14 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.881 -2.381 18405
855 1 14 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.415 -0.429 18405
856 1 14 . 1 1 16 16 ALA H H 16 8.234 8.234 7.617 0.617 18405
857 1 14 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.686 0.204 18405
858 1 14 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.911 -2.714 18405
859 1 14 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.229 -2.107 18405
860 1 14 . 1 1 17 17 TRP H H 17 8.374 8.374 8.257 0.117 18405
861 1 14 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.184 0.159 18405
862 1 14 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.578 -3.028 18405
863 1 14 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.084 0.933 18405
864 1 14 . 1 1 18 18 ILE H H 18 7.112 7.112 7.906 -0.794 18405
865 1 14 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.799 0.046 18405
866 1 14 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.055 -4.465 18405
867 1 14 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.637 13.790 18405
868 1 14 . 1 1 19 19 CYS H H 19 8.517 8.517 8.458 0.059 18405
869 1 15 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.595 0.264 18405
870 1 15 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.734 -1.307 18405
871 1 15 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.593 -1.399 18405
872 1 15 . 1 1 2 2 VAL H H 2 9.194 9.194 8.085 1.109 18405
873 1 15 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.033 -0.163 18405
874 1 15 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.584 -0.808 18405
875 1 15 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.992 -3.420 18405
876 1 15 . 1 1 3 3 TRP H H 3 8.721 8.721 8.452 0.269 18405
877 1 15 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.958 -0.307 18405
878 1 15 . 1 1 4 4 GLY H H 4 8.193 8.193 7.760 0.433 18405
879 1 15 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.093 -2.977 18405
880 1 15 . 1 1 5 5 GLY H H 5 8.646 8.646 7.148 1.498 18405
881 1 15 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.707 0.202 18405
882 1 15 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.521 -2.971 18405
883 1 15 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.898 -4.324 18405
884 1 15 . 1 1 6 6 ASP H H 6 8.237 8.237 8.657 -0.420 18405
885 1 15 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.053 -0.152 18405
886 1 15 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.549 -3.339 18405
887 1 15 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.899 14.001 18405
888 1 15 . 1 1 7 7 CYS H H 7 7.835 7.835 7.777 0.058 18405
889 1 15 . 1 1 8 8 THR HA H 8 4.629 4.629 4.589 0.040 18405
890 1 15 . 1 1 8 8 THR CA C 8 61.705 61.705 61.798 -0.093 18405
891 1 15 . 1 1 8 8 THR CB C 8 68.438 68.438 71.751 -3.313 18405
892 1 15 . 1 1 8 8 THR H H 8 8.501 8.501 8.006 0.495 18405
893 1 15 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.519 0.093 18405
894 1 15 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.105 -1.135 18405
895 1 15 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.725 -4.971 18405
896 1 15 . 1 1 9 9 ASP H H 9 7.887 7.887 8.287 -0.400 18405
897 1 15 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.625 -0.216 18405
898 1 15 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.567 -1.788 18405
899 1 15 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.483 -0.285 18405
900 1 15 . 1 1 10 10 PHE H H 10 8.541 8.541 8.128 0.413 18405
901 1 15 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.385 -0.421 18405
902 1 15 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.664 -0.174 18405
903 1 15 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.992 -1.567 18405
904 1 15 . 1 1 11 11 LEU H H 11 8.530 8.530 8.515 0.015 18405
905 1 15 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.099 -1.355 18405
906 1 15 . 1 1 12 12 GLY H H 12 9.002 9.002 8.805 0.197 18405
907 1 15 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.942 -0.345 18405
908 1 15 . 1 1 13 13 CYS H H 13 8.628 8.628 8.084 0.544 18405
909 1 15 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.551 -0.677 18405
910 1 15 . 1 1 14 14 GLY H H 14 7.619 7.619 7.696 -0.077 18405
911 1 15 . 1 1 15 15 THR HA H 15 5.549 5.549 4.808 0.741 18405
912 1 15 . 1 1 15 15 THR CA C 15 58.660 58.660 60.396 -1.736 18405
913 1 15 . 1 1 15 15 THR CB C 15 71.883 71.883 70.652 1.231 18405
914 1 15 . 1 1 15 15 THR H H 15 9.207 9.207 8.112 1.095 18405
915 1 15 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.415 0.118 18405
916 1 15 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.942 -2.442 18405
917 1 15 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.229 -0.243 18405
918 1 15 . 1 1 16 16 ALA H H 16 8.234 8.234 7.728 0.506 18405
919 1 15 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.692 0.198 18405
920 1 15 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.424 -2.227 18405
921 1 15 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.241 -2.119 18405
922 1 15 . 1 1 17 17 TRP H H 17 8.374 8.374 8.213 0.161 18405
923 1 15 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.194 0.149 18405
924 1 15 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.387 -2.837 18405
925 1 15 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.747 -0.730 18405
926 1 15 . 1 1 18 18 ILE H H 18 7.112 7.112 8.109 -0.997 18405
927 1 15 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.648 0.197 18405
928 1 15 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.477 -5.887 18405
929 1 15 . 1 1 19 19 CYS CB C 19 42.427 42.427 27.665 14.762 18405
930 1 15 . 1 1 19 19 CYS H H 19 8.517 8.517 8.540 -0.023 18405
931 1 16 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.603 0.256 18405
932 1 16 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.663 -1.236 18405
933 1 16 . 1 1 2 2 VAL CB C 2 32.195 32.195 34.029 -1.834 18405
934 1 16 . 1 1 2 2 VAL H H 2 9.194 9.194 8.097 1.097 18405
935 1 16 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.164 -0.294 18405
936 1 16 . 1 1 3 3 TRP CA C 3 55.776 55.776 57.151 -1.375 18405
937 1 16 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.925 -2.352 18405
938 1 16 . 1 1 3 3 TRP H H 3 8.721 8.721 8.569 0.152 18405
939 1 16 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.604 0.047 18405
940 1 16 . 1 1 4 4 GLY H H 4 8.193 8.193 8.003 0.190 18405
941 1 16 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.792 -2.676 18405
942 1 16 . 1 1 5 5 GLY H H 5 8.646 8.646 7.268 1.378 18405
943 1 16 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.770 0.138 18405
944 1 16 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.363 -3.813 18405
945 1 16 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.119 -4.545 18405
946 1 16 . 1 1 6 6 ASP H H 6 8.237 8.237 8.460 -0.223 18405
947 1 16 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.113 -0.212 18405
948 1 16 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.353 -3.143 18405
949 1 16 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.322 13.578 18405
950 1 16 . 1 1 7 7 CYS H H 7 7.835 7.835 8.137 -0.302 18405
951 1 16 . 1 1 8 8 THR HA H 8 4.629 4.629 4.689 -0.060 18405
952 1 16 . 1 1 8 8 THR CA C 8 61.705 61.705 61.662 0.043 18405
953 1 16 . 1 1 8 8 THR CB C 8 68.438 68.438 71.880 -3.442 18405
954 1 16 . 1 1 8 8 THR H H 8 8.501 8.501 8.150 0.351 18405
955 1 16 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.502 0.110 18405
956 1 16 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.173 -1.203 18405
957 1 16 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.746 -4.992 18405
958 1 16 . 1 1 9 9 ASP H H 9 7.887 7.887 8.277 -0.390 18405
959 1 16 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.584 -0.175 18405
960 1 16 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.404 -1.625 18405
961 1 16 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.462 -0.264 18405
962 1 16 . 1 1 10 10 PHE H H 10 8.541 8.541 8.144 0.397 18405
963 1 16 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.487 -0.523 18405
964 1 16 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.427 0.063 18405
965 1 16 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.294 -1.869 18405
966 1 16 . 1 1 11 11 LEU H H 11 8.530 8.530 8.400 0.130 18405
967 1 16 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.005 -1.261 18405
968 1 16 . 1 1 12 12 GLY H H 12 9.002 9.002 8.827 0.175 18405
969 1 16 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.936 -0.339 18405
970 1 16 . 1 1 13 13 CYS H H 13 8.628 8.628 8.070 0.558 18405
971 1 16 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.462 -0.588 18405
972 1 16 . 1 1 14 14 GLY H H 14 7.619 7.619 7.656 -0.037 18405
973 1 16 . 1 1 15 15 THR HA H 15 5.549 5.549 4.791 0.758 18405
974 1 16 . 1 1 15 15 THR CA C 15 58.660 58.660 60.355 -1.695 18405
975 1 16 . 1 1 15 15 THR CB C 15 71.883 71.883 70.733 1.150 18405
976 1 16 . 1 1 15 15 THR H H 15 9.207 9.207 8.068 1.139 18405
977 1 16 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.311 0.222 18405
978 1 16 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.836 -2.336 18405
979 1 16 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.197 -0.211 18405
980 1 16 . 1 1 16 16 ALA H H 16 8.234 8.234 7.696 0.538 18405
981 1 16 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.778 0.112 18405
982 1 16 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.185 -2.989 18405
983 1 16 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.956 -1.834 18405
984 1 16 . 1 1 17 17 TRP H H 17 8.374 8.374 8.091 0.283 18405
985 1 16 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.316 0.027 18405
986 1 16 . 1 1 18 18 ILE CA C 18 58.550 58.550 60.533 -1.983 18405
987 1 16 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.246 0.771 18405
988 1 16 . 1 1 18 18 ILE H H 18 7.112 7.112 7.983 -0.871 18405
989 1 16 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.816 0.029 18405
990 1 16 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.734 -5.144 18405
991 1 16 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.904 12.523 18405
992 1 16 . 1 1 19 19 CYS H H 19 8.517 8.517 8.513 0.004 18405
993 1 17 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.605 0.254 18405
994 1 17 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.637 -1.210 18405
995 1 17 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.465 -1.270 18405
996 1 17 . 1 1 2 2 VAL H H 2 9.194 9.194 8.122 1.072 18405
997 1 17 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.035 -0.165 18405
998 1 17 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.392 -0.617 18405
999 1 17 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.750 -3.177 18405
1000 1 17 . 1 1 3 3 TRP H H 3 8.721 8.721 8.431 0.290 18405
1001 1 17 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.952 -0.301 18405
1002 1 17 . 1 1 4 4 GLY H H 4 8.193 8.193 7.852 0.341 18405
1003 1 17 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.895 -2.780 18405
1004 1 17 . 1 1 5 5 GLY H H 5 8.646 8.646 7.148 1.498 18405
1005 1 17 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.695 0.213 18405
1006 1 17 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.787 -3.237 18405
1007 1 17 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.946 -4.372 18405
1008 1 17 . 1 1 6 6 ASP H H 6 8.237 8.237 8.520 -0.283 18405
1009 1 17 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.898 0.003 18405
1010 1 17 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.393 -3.183 18405
1011 1 17 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.030 13.870 18405
1012 1 17 . 1 1 7 7 CYS H H 7 7.835 7.835 7.657 0.178 18405
1013 1 17 . 1 1 8 8 THR HA H 8 4.629 4.629 4.915 -0.286 18405
1014 1 17 . 1 1 8 8 THR CA C 8 61.705 61.705 61.681 0.025 18405
1015 1 17 . 1 1 8 8 THR CB C 8 68.438 68.438 72.767 -4.329 18405
1016 1 17 . 1 1 8 8 THR H H 8 8.501 8.501 8.017 0.484 18405
1017 1 17 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.657 -0.045 18405
1018 1 17 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.052 -1.082 18405
1019 1 17 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.949 -5.195 18405
1020 1 17 . 1 1 9 9 ASP H H 9 7.887 7.887 8.181 -0.294 18405
1021 1 17 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.608 -0.199 18405
1022 1 17 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.153 -1.374 18405
1023 1 17 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.169 0.030 18405
1024 1 17 . 1 1 10 10 PHE H H 10 8.541 8.541 8.125 0.416 18405
1025 1 17 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.186 -0.222 18405
1026 1 17 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.096 0.394 18405
1027 1 17 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.313 -0.888 18405
1028 1 17 . 1 1 11 11 LEU H H 11 8.530 8.530 7.525 1.005 18405
1029 1 17 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.062 -1.319 18405
1030 1 17 . 1 1 12 12 GLY H H 12 9.002 9.002 8.783 0.219 18405
1031 1 17 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.686 -0.089 18405
1032 1 17 . 1 1 13 13 CYS H H 13 8.628 8.628 8.283 0.345 18405
1033 1 17 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.921 -1.047 18405
1034 1 17 . 1 1 14 14 GLY H H 14 7.619 7.619 7.945 -0.326 18405
1035 1 17 . 1 1 15 15 THR HA H 15 5.549 5.549 4.842 0.707 18405
1036 1 17 . 1 1 15 15 THR CA C 15 58.660 58.660 59.827 -1.167 18405
1037 1 17 . 1 1 15 15 THR CB C 15 71.883 71.883 70.687 1.196 18405
1038 1 17 . 1 1 15 15 THR H H 15 9.207 9.207 8.024 1.183 18405
1039 1 17 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.332 0.201 18405
1040 1 17 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.396 -2.896 18405
1041 1 17 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.511 -0.525 18405
1042 1 17 . 1 1 16 16 ALA H H 16 8.234 8.234 8.000 0.234 18405
1043 1 17 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.707 0.183 18405
1044 1 17 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.841 -2.644 18405
1045 1 17 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.282 -2.160 18405
1046 1 17 . 1 1 17 17 TRP H H 17 8.374 8.374 8.335 0.039 18405
1047 1 17 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.171 0.172 18405
1048 1 17 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.424 -2.874 18405
1049 1 17 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.434 0.583 18405
1050 1 17 . 1 1 18 18 ILE H H 18 7.112 7.112 7.797 -0.685 18405
1051 1 17 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.822 0.023 18405
1052 1 17 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.264 -4.674 18405
1053 1 17 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.150 13.277 18405
1054 1 17 . 1 1 19 19 CYS H H 19 8.517 8.517 8.524 -0.007 18405
1055 1 18 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.532 0.327 18405
1056 1 18 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.694 -1.267 18405
1057 1 18 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.456 -1.261 18405
1058 1 18 . 1 1 2 2 VAL H H 2 9.194 9.194 7.997 1.197 18405
1059 1 18 . 1 1 3 3 TRP HA H 3 4.870 4.870 4.949 -0.079 18405
1060 1 18 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.478 -0.702 18405
1061 1 18 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.938 -3.365 18405
1062 1 18 . 1 1 3 3 TRP H H 3 8.721 8.721 8.334 0.387 18405
1063 1 18 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.089 -0.438 18405
1064 1 18 . 1 1 4 4 GLY H H 4 8.193 8.193 7.978 0.215 18405
1065 1 18 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.080 -2.964 18405
1066 1 18 . 1 1 5 5 GLY H H 5 8.646 8.646 7.526 1.120 18405
1067 1 18 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.709 0.199 18405
1068 1 18 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.482 -2.932 18405
1069 1 18 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.875 -4.301 18405
1070 1 18 . 1 1 6 6 ASP H H 6 8.237 8.237 8.690 -0.453 18405
1071 1 18 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.060 -0.159 18405
1072 1 18 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.524 -3.314 18405
1073 1 18 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.800 14.100 18405
1074 1 18 . 1 1 7 7 CYS H H 7 7.835 7.835 7.746 0.089 18405
1075 1 18 . 1 1 8 8 THR HA H 8 4.629 4.629 4.485 0.144 18405
1076 1 18 . 1 1 8 8 THR CA C 8 61.705 61.705 61.503 0.202 18405
1077 1 18 . 1 1 8 8 THR CB C 8 68.438 68.438 71.517 -3.079 18405
1078 1 18 . 1 1 8 8 THR H H 8 8.501 8.501 8.000 0.501 18405
1079 1 18 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.569 0.043 18405
1080 1 18 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.216 -1.246 18405
1081 1 18 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.964 -5.210 18405
1082 1 18 . 1 1 9 9 ASP H H 9 7.887 7.887 8.077 -0.190 18405
1083 1 18 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.600 -0.191 18405
1084 1 18 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.411 -1.632 18405
1085 1 18 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.473 -0.275 18405
1086 1 18 . 1 1 10 10 PHE H H 10 8.541 8.541 8.155 0.386 18405
1087 1 18 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.512 -0.548 18405
1088 1 18 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.409 0.081 18405
1089 1 18 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.288 -1.863 18405
1090 1 18 . 1 1 11 11 LEU H H 11 8.530 8.530 8.411 0.119 18405
1091 1 18 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.027 -1.283 18405
1092 1 18 . 1 1 12 12 GLY H H 12 9.002 9.002 8.854 0.148 18405
1093 1 18 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.934 -0.337 18405
1094 1 18 . 1 1 13 13 CYS H H 13 8.628 8.628 8.103 0.525 18405
1095 1 18 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.560 -0.686 18405
1096 1 18 . 1 1 14 14 GLY H H 14 7.619 7.619 7.707 -0.088 18405
1097 1 18 . 1 1 15 15 THR HA H 15 5.549 5.549 4.800 0.749 18405
1098 1 18 . 1 1 15 15 THR CA C 15 58.660 58.660 60.397 -1.737 18405
1099 1 18 . 1 1 15 15 THR CB C 15 71.883 71.883 70.674 1.209 18405
1100 1 18 . 1 1 15 15 THR H H 15 9.207 9.207 8.102 1.105 18405
1101 1 18 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.422 0.111 18405
1102 1 18 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.951 -2.451 18405
1103 1 18 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.234 -0.248 18405
1104 1 18 . 1 1 16 16 ALA H H 16 8.234 8.234 7.731 0.503 18405
1105 1 18 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.785 0.105 18405
1106 1 18 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.497 -2.300 18405
1107 1 18 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.441 -2.319 18405
1108 1 18 . 1 1 17 17 TRP H H 17 8.374 8.374 8.251 0.123 18405
1109 1 18 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.235 0.108 18405
1110 1 18 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.431 -2.881 18405
1111 1 18 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.506 0.511 18405
1112 1 18 . 1 1 18 18 ILE H H 18 7.112 7.112 8.001 -0.889 18405
1113 1 18 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.837 0.008 18405
1114 1 18 . 1 1 19 19 CYS CA C 19 52.590 52.590 56.510 -3.920 18405
1115 1 18 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.952 13.475 18405
1116 1 18 . 1 1 19 19 CYS H H 19 8.517 8.517 8.331 0.186 18405
1117 1 19 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.610 0.249 18405
1118 1 19 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.745 -1.318 18405
1119 1 19 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.620 -1.425 18405
1120 1 19 . 1 1 2 2 VAL H H 2 9.194 9.194 7.963 1.231 18405
1121 1 19 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.047 -0.177 18405
1122 1 19 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.569 -0.793 18405
1123 1 19 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.955 -3.382 18405
1124 1 19 . 1 1 3 3 TRP H H 3 8.721 8.721 8.516 0.205 18405
1125 1 19 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.984 -0.333 18405
1126 1 19 . 1 1 4 4 GLY H H 4 8.193 8.193 7.793 0.400 18405
1127 1 19 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.783 -2.667 18405
1128 1 19 . 1 1 5 5 GLY H H 5 8.646 8.646 7.162 1.484 18405
1129 1 19 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.679 0.229 18405
1130 1 19 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.463 -2.913 18405
1131 1 19 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.725 -4.151 18405
1132 1 19 . 1 1 6 6 ASP H H 6 8.237 8.237 8.479 -0.242 18405
1133 1 19 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.745 0.156 18405
1134 1 19 . 1 1 7 7 CYS CA C 7 53.210 53.210 58.011 -4.801 18405
1135 1 19 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.931 13.969 18405
1136 1 19 . 1 1 7 7 CYS H H 7 7.835 7.835 7.650 0.185 18405
1137 1 19 . 1 1 8 8 THR HA H 8 4.629 4.629 4.787 -0.158 18405
1138 1 19 . 1 1 8 8 THR CA C 8 61.705 61.705 61.168 0.537 18405
1139 1 19 . 1 1 8 8 THR CB C 8 68.438 68.438 72.307 -3.869 18405
1140 1 19 . 1 1 8 8 THR H H 8 8.501 8.501 8.090 0.411 18405
1141 1 19 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.593 0.019 18405
1142 1 19 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.030 -1.060 18405
1143 1 19 . 1 1 9 9 ASP CB C 9 35.754 35.754 41.040 -5.286 18405
1144 1 19 . 1 1 9 9 ASP H H 9 7.887 7.887 8.151 -0.264 18405
1145 1 19 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.627 -0.218 18405
1146 1 19 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.524 -1.745 18405
1147 1 19 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.307 -0.109 18405
1148 1 19 . 1 1 10 10 PHE H H 10 8.541 8.541 8.193 0.348 18405
1149 1 19 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.287 -0.324 18405
1150 1 19 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.986 -0.496 18405
1151 1 19 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.604 -1.179 18405
1152 1 19 . 1 1 11 11 LEU H H 11 8.530 8.530 8.648 -0.118 18405
1153 1 19 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.139 -1.395 18405
1154 1 19 . 1 1 12 12 GLY H H 12 9.002 9.002 8.848 0.154 18405
1155 1 19 . 1 1 13 13 CYS HA H 13 4.597 4.597 5.048 -0.451 18405
1156 1 19 . 1 1 13 13 CYS H H 13 8.628 8.628 8.025 0.603 18405
1157 1 19 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.614 -0.740 18405
1158 1 19 . 1 1 14 14 GLY H H 14 7.619 7.619 7.873 -0.254 18405
1159 1 19 . 1 1 15 15 THR HA H 15 5.549 5.549 4.729 0.820 18405
1160 1 19 . 1 1 15 15 THR CA C 15 58.660 58.660 60.163 -1.504 18405
1161 1 19 . 1 1 15 15 THR CB C 15 71.883 71.883 70.480 1.403 18405
1162 1 19 . 1 1 15 15 THR H H 15 9.207 9.207 8.162 1.045 18405
1163 1 19 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.374 0.159 18405
1164 1 19 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.156 -2.656 18405
1165 1 19 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.669 -0.683 18405
1166 1 19 . 1 1 16 16 ALA H H 16 8.234 8.234 7.579 0.655 18405
1167 1 19 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.838 0.052 18405
1168 1 19 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.583 -2.386 18405
1169 1 19 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.165 -2.043 18405
1170 1 19 . 1 1 17 17 TRP H H 17 8.374 8.374 8.329 0.045 18405
1171 1 19 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.152 0.191 18405
1172 1 19 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.476 -2.926 18405
1173 1 19 . 1 1 18 18 ILE CB C 18 38.017 38.017 36.422 1.595 18405
1174 1 19 . 1 1 18 18 ILE H H 18 7.112 7.112 7.901 -0.789 18405
1175 1 19 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.560 0.285 18405
1176 1 19 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.884 -6.294 18405
1177 1 19 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.569 12.858 18405
1178 1 19 . 1 1 19 19 CYS H H 19 8.517 8.517 8.763 -0.246 18405
1179 1 20 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.609 0.250 18405
1180 1 20 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.636 -1.209 18405
1181 1 20 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.470 -1.275 18405
1182 1 20 . 1 1 2 2 VAL H H 2 9.194 9.194 8.149 1.045 18405
1183 1 20 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.013 -0.143 18405
1184 1 20 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.469 -0.693 18405
1185 1 20 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.673 -3.100 18405
1186 1 20 . 1 1 3 3 TRP H H 3 8.721 8.721 8.448 0.273 18405
1187 1 20 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.088 -0.437 18405
1188 1 20 . 1 1 4 4 GLY H H 4 8.193 8.193 7.879 0.314 18405
1189 1 20 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.633 -2.518 18405
1190 1 20 . 1 1 5 5 GLY H H 5 8.646 8.646 7.539 1.107 18405
1191 1 20 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.743 0.165 18405
1192 1 20 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.461 -3.911 18405
1193 1 20 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.155 -4.581 18405
1194 1 20 . 1 1 6 6 ASP H H 6 8.237 8.237 8.342 -0.105 18405
1195 1 20 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.697 0.204 18405
1196 1 20 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.717 -4.507 18405
1197 1 20 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.709 14.191 18405
1198 1 20 . 1 1 7 7 CYS H H 7 7.835 7.835 7.819 0.016 18405
1199 1 20 . 1 1 8 8 THR HA H 8 4.629 4.629 4.785 -0.156 18405
1200 1 20 . 1 1 8 8 THR CA C 8 61.705 61.705 61.557 0.148 18405
1201 1 20 . 1 1 8 8 THR CB C 8 68.438 68.438 72.461 -4.023 18405
1202 1 20 . 1 1 8 8 THR H H 8 8.501 8.501 8.140 0.361 18405
1203 1 20 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.457 0.155 18405
1204 1 20 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.000 -1.030 18405
1205 1 20 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.789 -5.035 18405
1206 1 20 . 1 1 9 9 ASP H H 9 7.887 7.887 8.102 -0.215 18405
1207 1 20 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.643 -0.234 18405
1208 1 20 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.250 -1.471 18405
1209 1 20 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.102 0.096 18405
1210 1 20 . 1 1 10 10 PHE H H 10 8.541 8.541 7.908 0.633 18405
1211 1 20 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.487 -0.523 18405
1212 1 20 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.474 0.016 18405
1213 1 20 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.276 -1.851 18405
1214 1 20 . 1 1 11 11 LEU H H 11 8.530 8.530 8.401 0.129 18405
1215 1 20 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.868 -1.124 18405
1216 1 20 . 1 1 12 12 GLY H H 12 9.002 9.002 8.937 0.065 18405
1217 1 20 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.478 0.119 18405
1218 1 20 . 1 1 13 13 CYS H H 13 8.628 8.628 8.103 0.525 18405
1219 1 20 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.621 -0.747 18405
1220 1 20 . 1 1 14 14 GLY H H 14 7.619 7.619 7.737 -0.118 18405
1221 1 20 . 1 1 15 15 THR HA H 15 5.549 5.549 4.738 0.811 18405
1222 1 20 . 1 1 15 15 THR CA C 15 58.660 58.660 60.081 -1.421 18405
1223 1 20 . 1 1 15 15 THR CB C 15 71.883 71.883 70.518 1.365 18405
1224 1 20 . 1 1 15 15 THR H H 15 9.207 9.207 8.063 1.144 18405
1225 1 20 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.378 0.155 18405
1226 1 20 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.108 -2.607 18405
1227 1 20 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.666 -0.680 18405
1228 1 20 . 1 1 16 16 ALA H H 16 8.234 8.234 7.580 0.654 18405
1229 1 20 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.729 0.161 18405
1230 1 20 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.359 -2.163 18405
1231 1 20 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.183 -2.061 18405
1232 1 20 . 1 1 17 17 TRP H H 17 8.374 8.374 8.271 0.103 18405
1233 1 20 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.180 0.163 18405
1234 1 20 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.771 -3.221 18405
1235 1 20 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.541 -0.525 18405
1236 1 20 . 1 1 18 18 ILE H H 18 7.112 7.112 7.858 -0.746 18405
1237 1 20 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.698 0.147 18405
1238 1 20 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.441 -4.851 18405
1239 1 20 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.701 12.726 18405
1240 1 20 . 1 1 19 19 CYS H H 19 8.517 8.517 8.412 0.105 18405
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 18405
2 1 1 "Average Difference" HA 21 0.377 0.039 0.384 18405
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18405
4 1 1 "Average Difference" CA 17 2.273 1.812 1.415 18405
5 1 1 "Average Difference" CB 13 5.737 -0.455 5.953 18405
6 1 1 "Average Difference" HN 18 0.565 -0.245 0.524 18405
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18405
8 1 2 "Average Difference" HA 21 0.380 -0.038 0.388 18405
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18405
10 1 2 "Average Difference" CA 17 2.247 1.799 1.389 18405
11 1 2 "Average Difference" CB 13 5.822 -0.598 6.027 18405
12 1 2 "Average Difference" HN 18 0.612 -0.285 0.557 18405
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18405
14 1 3 "Average Difference" HA 21 0.379 0.053 0.385 18405
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18405
16 1 3 "Average Difference" CA 17 2.322 1.900 1.375 18405
17 1 3 "Average Difference" CB 13 5.894 -0.365 6.123 18405
18 1 3 "Average Difference" HN 18 0.588 -0.284 0.530 18405
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18405
20 1 4 "Average Difference" HA 21 0.388 0.036 0.395 18405
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18405
22 1 4 "Average Difference" CA 17 2.377 1.844 1.545 18405
23 1 4 "Average Difference" CB 13 6.070 -0.557 6.291 18405
24 1 4 "Average Difference" HN 18 0.615 -0.261 0.573 18405
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18405
26 1 5 "Average Difference" HA 21 0.356 0.018 0.365 18405
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18405
28 1 5 "Average Difference" CA 17 2.282 1.838 1.394 18405
29 1 5 "Average Difference" CB 13 5.691 -0.540 5.897 18405
30 1 5 "Average Difference" HN 18 0.620 -0.256 0.581 18405
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18405
32 1 6 "Average Difference" HA 21 0.400 -0.033 0.408 18405
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18405
34 1 6 "Average Difference" CA 17 2.508 1.902 1.685 18405
35 1 6 "Average Difference" CB 13 5.983 -0.578 6.198 18405
36 1 6 "Average Difference" HN 18 0.585 -0.285 0.526 18405
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18405
38 1 7 "Average Difference" HA 21 0.365 0.009 0.374 18405
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18405
40 1 7 "Average Difference" CA 17 2.361 1.801 1.575 18405
41 1 7 "Average Difference" CB 13 5.966 -0.573 6.181 18405
42 1 7 "Average Difference" HN 18 0.620 -0.279 0.570 18405
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18405
44 1 8 "Average Difference" HA 21 0.384 0.034 0.392 18405
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18405
46 1 8 "Average Difference" CA 17 2.472 1.924 1.601 18405
47 1 8 "Average Difference" CB 13 5.978 -0.471 6.202 18405
48 1 8 "Average Difference" HN 18 0.586 -0.243 0.548 18405
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18405
50 1 9 "Average Difference" HA 21 0.381 0.036 0.389 18405
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18405
52 1 9 "Average Difference" CA 17 2.506 1.905 1.678 18405
53 1 9 "Average Difference" CB 13 5.916 -0.414 6.143 18405
54 1 9 "Average Difference" HN 18 0.609 -0.271 0.560 18405
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18405
56 1 10 "Average Difference" HA 21 0.362 0.014 0.371 18405
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18405
58 1 10 "Average Difference" CA 17 2.409 1.833 1.611 18405
59 1 10 "Average Difference" CB 13 5.948 -0.594 6.160 18405
60 1 10 "Average Difference" HN 18 0.627 -0.264 0.585 18405
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18405
62 1 11 "Average Difference" HA 21 0.372 -0.019 0.381 18405
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18405
64 1 11 "Average Difference" CA 17 2.411 1.869 1.571 18405
65 1 11 "Average Difference" CB 13 6.248 -0.853 6.442 18405
66 1 11 "Average Difference" HN 18 0.639 -0.266 0.598 18405
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18405
68 1 12 "Average Difference" HA 21 0.379 0.020 0.388 18405
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18405
70 1 12 "Average Difference" CA 17 2.131 1.766 1.228 18405
71 1 12 "Average Difference" CB 13 6.005 -0.543 6.225 18405
72 1 12 "Average Difference" HN 18 0.702 -0.353 0.625 18405
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18405
74 1 13 "Average Difference" HA 21 0.389 0.021 0.398 18405
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18405
76 1 13 "Average Difference" CA 17 2.544 1.971 1.659 18405
77 1 13 "Average Difference" CB 13 5.854 -0.409 6.078 18405
78 1 13 "Average Difference" HN 18 0.543 -0.243 0.500 18405
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18405
80 1 14 "Average Difference" HA 21 0.376 0.022 0.384 18405
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18405
82 1 14 "Average Difference" CA 17 2.332 1.874 1.430 18405
83 1 14 "Average Difference" CB 13 6.058 -0.641 6.270 18405
84 1 14 "Average Difference" HN 18 0.564 -0.257 0.517 18405
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18405
86 1 15 "Average Difference" HA 21 0.380 0.026 0.388 18405
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18405
88 1 15 "Average Difference" CA 17 2.361 1.886 1.464 18405
89 1 15 "Average Difference" CB 13 6.146 -0.586 6.368 18405
90 1 15 "Average Difference" HN 18 0.637 -0.271 0.593 18405
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18405
92 1 16 "Average Difference" HA 21 0.398 0.009 0.408 18405
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18405
94 1 16 "Average Difference" CA 17 2.284 1.818 1.424 18405
95 1 16 "Average Difference" CB 13 5.660 -0.514 5.866 18405
96 1 16 "Average Difference" HN 18 0.602 -0.254 0.562 18405
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18405
98 1 17 "Average Difference" HA 21 0.354 0.019 0.363 18405
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18405
100 1 17 "Average Difference" CA 17 2.212 1.764 1.376 18405
101 1 17 "Average Difference" CB 13 5.901 -0.541 6.116 18405
102 1 17 "Average Difference" HN 18 0.642 -0.317 0.574 18405
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18405
104 1 18 "Average Difference" HA 21 0.387 0.042 0.394 18405
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18405
106 1 18 "Average Difference" CA 17 2.101 1.734 1.223 18405
107 1 18 "Average Difference" CB 13 5.943 -0.567 6.157 18405
108 1 18 "Average Difference" HN 18 0.585 -0.277 0.531 18405
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18405
110 1 19 "Average Difference" HA 21 0.385 0.013 0.394 18405
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18405
112 1 19 "Average Difference" CA 17 2.561 1.970 1.687 18405
113 1 19 "Average Difference" CB 13 5.848 -0.592 6.056 18405
114 1 19 "Average Difference" HN 18 0.626 -0.270 0.581 18405
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18405
116 1 20 "Average Difference" HA 21 0.373 -0.004 0.382 18405
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18405
118 1 20 "Average Difference" CA 17 2.383 1.867 1.526 18405
119 1 20 "Average Difference" CB 13 5.866 -0.404 6.091 18405
120 1 20 "Average Difference" HN 18 0.563 -0.294 0.494 18405
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 18405
_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 4.859 4.859 4.597 0.262 18405
2 1 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.758 -1.331 18405
3 1 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.628 -1.433 18405
4 1 . 1 1 2 2 VAL H H 2 9.194 9.194 8.096 1.098 18405
5 1 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.073 -0.204 18405
6 1 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.561 -0.785 18405
7 1 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.715 -3.142 18405
8 1 . 1 1 3 3 TRP H H 3 8.721 8.721 8.436 0.285 18405
9 1 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.916 -0.265 18405
10 1 . 1 1 4 4 GLY H H 4 8.193 8.193 7.871 0.322 18405
11 1 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.802 -2.686 18405
12 1 . 1 1 5 5 GLY H H 5 8.646 8.646 7.322 1.324 18405
13 1 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.737 0.171 18405
14 1 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.969 -3.419 18405
15 1 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.007 -4.433 18405
16 1 . 1 1 6 6 ASP H H 6 8.237 8.237 8.504 -0.267 18405
17 1 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.976 -0.075 18405
18 1 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.739 -3.529 18405
19 1 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.988 13.912 18405
20 1 . 1 1 7 7 CYS H H 7 7.835 7.835 7.819 0.016 18405
21 1 . 1 1 8 8 THR HA H 8 4.629 4.629 4.716 -0.087 18405
22 1 . 1 1 8 8 THR CA C 8 61.705 61.705 61.535 0.170 18405
23 1 . 1 1 8 8 THR CB C 8 68.438 68.438 72.058 -3.620 18405
24 1 . 1 1 8 8 THR H H 8 8.501 8.501 8.031 0.470 18405
25 1 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.523 0.089 18405
26 1 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.057 -1.087 18405
27 1 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.800 -5.046 18405
28 1 . 1 1 9 9 ASP H H 9 7.887 7.887 8.192 -0.305 18405
29 1 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.619 -0.210 18405
30 1 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.391 -1.612 18405
31 1 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.361 -0.163 18405
32 1 . 1 1 10 10 PHE H H 10 8.541 8.541 8.109 0.432 18405
33 1 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.406 -0.442 18405
34 1 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.600 -0.110 18405
35 1 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.058 -1.633 18405
36 1 . 1 1 11 11 LEU H H 11 8.530 8.530 8.431 0.099 18405
37 1 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.015 -1.271 18405
38 1 . 1 1 12 12 GLY H H 12 9.002 9.002 8.877 0.125 18405
39 1 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.812 -0.215 18405
40 1 . 1 1 13 13 CYS H H 13 8.628 8.628 8.102 0.526 18405
41 1 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.623 -0.748 18405
42 1 . 1 1 14 14 GLY H H 14 7.619 7.619 7.737 -0.118 18405
43 1 . 1 1 15 15 THR HA H 15 5.549 5.549 4.781 0.768 18405
44 1 . 1 1 15 15 THR CA C 15 58.660 58.660 60.158 -1.498 18405
45 1 . 1 1 15 15 THR CB C 15 71.883 71.883 70.594 1.289 18405
46 1 . 1 1 15 15 THR H H 15 9.207 9.207 8.069 1.138 18405
47 1 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.352 0.181 18405
48 1 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.044 -2.543 18405
49 1 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.400 -0.414 18405
50 1 . 1 1 16 16 ALA H H 16 8.234 8.234 7.715 0.519 18405
51 1 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.752 0.138 18405
52 1 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.801 -2.604 18405
53 1 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.157 -2.035 18405
54 1 . 1 1 17 17 TRP H H 17 8.374 8.374 8.221 0.153 18405
55 1 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.219 0.124 18405
56 1 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.294 -2.744 18405
57 1 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.790 0.227 18405
58 1 . 1 1 18 18 ILE H H 18 7.112 7.112 7.954 -0.842 18405
59 1 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.724 0.121 18405
60 1 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.043 -5.453 18405
61 1 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.917 13.510 18405
62 1 . 1 1 19 19 CYS H H 19 8.517 8.517 8.564 -0.047 18405
stop_
save_