data_25474
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25474
_Entry.PDB_ID 2MZ5
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 25474
_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 GLY N N 2 111.641 111.641 107.664 3.977 25474
2 1 1 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.649 -2.040 25474
3 1 1 . 1 1 2 2 GLY H H 2 8.943 8.943 8.452 0.491 25474
4 1 1 . 1 1 3 3 GLY N N 3 108.976 108.976 108.876 0.100 25474
5 1 1 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.912 -2.179 25474
6 1 1 . 1 1 3 3 GLY H H 3 8.482 8.482 8.220 0.262 25474
7 1 1 . 1 1 4 4 GLY N N 4 110.406 110.406 107.792 2.614 25474
8 1 1 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.739 -1.033 25474
9 1 1 . 1 1 4 4 GLY H H 4 8.824 8.824 8.154 0.670 25474
10 1 1 . 1 1 5 5 LEU N N 5 122.857 122.857 121.825 1.032 25474
11 1 1 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.789 -0.659 25474
12 1 1 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.237 0.200 25474
13 1 1 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.586 -7.557 25474
14 1 1 . 1 1 5 5 LEU H H 5 8.661 8.661 8.298 0.363 25474
15 1 1 . 1 1 6 6 CYS N N 6 118.749 118.749 121.422 -2.673 25474
16 1 1 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.614 0.028 25474
17 1 1 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.713 0.069 25474
18 1 1 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.232 -3.866 25474
19 1 1 . 1 1 6 6 CYS H H 6 8.313 8.313 8.448 -0.135 25474
20 1 1 . 1 1 7 7 TYR N N 7 120.140 120.140 125.516 -5.376 25474
21 1 1 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.604 -0.371 25474
22 1 1 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.577 -0.756 25474
23 1 1 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.111 -0.417 25474
24 1 1 . 1 1 7 7 TYR H H 7 8.014 8.014 8.548 -0.534 25474
25 1 1 . 1 1 8 8 CYS N N 8 117.450 117.450 123.119 -5.669 25474
26 1 1 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.411 -0.379 25474
27 1 1 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.075 -5.204 25474
28 1 1 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.857 -3.017 25474
29 1 1 . 1 1 8 8 CYS H H 8 8.100 8.100 7.866 0.234 25474
30 1 1 . 1 1 9 9 ARG N N 9 120.000 120.000 121.473 -1.473 25474
31 1 1 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.686 -0.751 25474
32 1 1 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.350 2.062 25474
33 1 1 . 1 1 9 9 ARG CB C 9 27.467 27.467 34.248 -6.781 25474
34 1 1 . 1 1 9 9 ARG H H 9 8.331 8.331 8.492 -0.161 25474
35 1 1 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.009 0.027 25474
36 1 1 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.381 -2.785 25474
37 1 1 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.269 -1.794 25474
38 1 1 . 1 1 10 10 ARG H H 10 7.900 7.900 8.817 -0.917 25474
39 1 1 . 1 1 11 11 ARG N N 11 117.419 117.419 122.814 -5.395 25474
40 1 1 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.615 -0.621 25474
41 1 1 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.959 -1.612 25474
42 1 1 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.527 -3.052 25474
43 1 1 . 1 1 11 11 ARG H H 11 7.957 7.957 8.703 -0.746 25474
44 1 1 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.737 -0.389 25474
45 1 1 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.204 1.287 25474
46 1 1 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.375 -3.393 25474
47 1 1 . 1 1 12 12 PHE H H 12 8.138 8.138 8.170 -0.032 25474
48 1 1 . 1 1 13 13 CYS N N 13 119.944 119.944 123.686 -3.742 25474
49 1 1 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.373 -0.218 25474
50 1 1 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.288 -4.862 25474
51 1 1 . 1 1 13 13 CYS H H 13 8.047 8.047 8.410 -0.363 25474
52 1 1 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.546 -0.614 25474
53 1 1 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.099 -1.045 25474
54 1 1 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.581 -4.721 25474
55 1 1 . 1 1 14 14 VAL H H 14 7.836 7.836 8.380 -0.544 25474
56 1 1 . 1 1 15 15 CYS N N 15 117.212 117.212 125.895 -8.683 25474
57 1 1 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.782 -0.507 25474
58 1 1 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.214 -0.358 25474
59 1 1 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.178 -4.991 25474
60 1 1 . 1 1 15 15 CYS H H 15 8.045 8.045 8.345 -0.300 25474
61 1 1 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.601 -0.526 25474
62 1 1 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.130 -0.644 25474
63 1 1 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.046 -5.414 25474
64 1 1 . 1 1 16 16 VAL H H 16 7.743 7.743 8.636 -0.893 25474
65 1 1 . 1 1 17 17 GLY N N 17 110.355 110.355 110.202 0.153 25474
66 1 1 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.398 -1.618 25474
67 1 1 . 1 1 17 17 GLY H H 17 8.001 8.001 8.378 -0.377 25474
68 1 2 . 1 1 2 2 GLY N N 2 111.641 111.641 107.973 3.668 25474
69 1 2 . 1 1 2 2 GLY CA C 2 42.609 42.609 45.033 -2.424 25474
70 1 2 . 1 1 2 2 GLY H H 2 8.943 8.943 9.284 -0.341 25474
71 1 2 . 1 1 3 3 GLY N N 3 108.976 108.976 107.463 1.513 25474
72 1 2 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.376 -1.643 25474
73 1 2 . 1 1 3 3 GLY H H 3 8.482 8.482 8.391 0.091 25474
74 1 2 . 1 1 4 4 GLY N N 4 110.406 110.406 106.938 3.468 25474
75 1 2 . 1 1 4 4 GLY CA C 4 43.706 43.706 45.108 -1.402 25474
76 1 2 . 1 1 4 4 GLY H H 4 8.824 8.824 8.164 0.660 25474
77 1 2 . 1 1 5 5 LEU N N 5 122.857 122.857 121.953 0.904 25474
78 1 2 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.849 -0.719 25474
79 1 2 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.019 0.418 25474
80 1 2 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.194 -7.165 25474
81 1 2 . 1 1 5 5 LEU H H 5 8.661 8.661 8.478 0.183 25474
82 1 2 . 1 1 6 6 CYS N N 6 118.749 118.749 121.856 -3.107 25474
83 1 2 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.835 -0.193 25474
84 1 2 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.519 0.263 25474
85 1 2 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.184 -3.818 25474
86 1 2 . 1 1 6 6 CYS H H 6 8.313 8.313 8.475 -0.162 25474
87 1 2 . 1 1 7 7 TYR N N 7 120.140 120.140 125.708 -5.568 25474
88 1 2 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.615 -0.382 25474
89 1 2 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.574 -0.753 25474
90 1 2 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.212 -0.518 25474
91 1 2 . 1 1 7 7 TYR H H 7 8.014 8.014 8.592 -0.578 25474
92 1 2 . 1 1 8 8 CYS N N 8 117.450 117.450 123.606 -6.156 25474
93 1 2 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.468 -0.436 25474
94 1 2 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.166 -5.295 25474
95 1 2 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.457 -2.617 25474
96 1 2 . 1 1 8 8 CYS H H 8 8.100 8.100 8.464 -0.364 25474
97 1 2 . 1 1 9 9 ARG N N 9 120.000 120.000 123.748 -3.748 25474
98 1 2 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.743 -0.808 25474
99 1 2 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.291 2.121 25474
100 1 2 . 1 1 9 9 ARG CB C 9 27.467 27.467 32.858 -5.391 25474
101 1 2 . 1 1 9 9 ARG H H 9 8.331 8.331 8.137 0.194 25474
102 1 2 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.065 -0.029 25474
103 1 2 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.350 -2.754 25474
104 1 2 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.526 -2.051 25474
105 1 2 . 1 1 10 10 ARG H H 10 7.900 7.900 8.564 -0.664 25474
106 1 2 . 1 1 11 11 ARG N N 11 117.419 117.419 122.409 -4.990 25474
107 1 2 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.659 -0.665 25474
108 1 2 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.821 -1.474 25474
109 1 2 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.147 -2.672 25474
110 1 2 . 1 1 11 11 ARG H H 11 7.957 7.957 8.743 -0.786 25474
111 1 2 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.716 -0.368 25474
112 1 2 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.254 1.237 25474
113 1 2 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.012 -3.030 25474
114 1 2 . 1 1 12 12 PHE H H 12 8.138 8.138 8.211 -0.073 25474
115 1 2 . 1 1 13 13 CYS N N 13 119.944 119.944 125.044 -5.100 25474
116 1 2 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.448 -0.293 25474
117 1 2 . 1 1 13 13 CYS CB C 13 24.426 24.426 28.684 -4.258 25474
118 1 2 . 1 1 13 13 CYS H H 13 8.047 8.047 8.467 -0.420 25474
119 1 2 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.574 -0.642 25474
120 1 2 . 1 1 14 14 VAL CA C 14 61.054 61.054 61.994 -0.940 25474
121 1 2 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.493 -4.633 25474
122 1 2 . 1 1 14 14 VAL H H 14 7.836 7.836 8.429 -0.593 25474
123 1 2 . 1 1 15 15 CYS N N 15 117.212 117.212 126.867 -9.655 25474
124 1 2 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.945 -0.670 25474
125 1 2 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.101 -0.245 25474
126 1 2 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.250 -5.063 25474
127 1 2 . 1 1 15 15 CYS H H 15 8.045 8.045 8.327 -0.282 25474
128 1 2 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.720 -0.645 25474
129 1 2 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.125 -0.639 25474
130 1 2 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.341 -5.709 25474
131 1 2 . 1 1 16 16 VAL H H 16 7.743 7.743 9.041 -1.298 25474
132 1 2 . 1 1 17 17 GLY N N 17 110.355 110.355 111.429 -1.074 25474
133 1 2 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.842 -2.062 25474
134 1 2 . 1 1 17 17 GLY H H 17 8.001 8.001 8.589 -0.588 25474
135 1 3 . 1 1 2 2 GLY N N 2 111.641 111.641 108.606 3.035 25474
136 1 3 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.428 -1.819 25474
137 1 3 . 1 1 2 2 GLY H H 2 8.943 8.943 8.445 0.498 25474
138 1 3 . 1 1 3 3 GLY N N 3 108.976 108.976 107.793 1.183 25474
139 1 3 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.808 -2.075 25474
140 1 3 . 1 1 3 3 GLY H H 3 8.482 8.482 8.252 0.230 25474
141 1 3 . 1 1 4 4 GLY N N 4 110.406 110.406 107.667 2.739 25474
142 1 3 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.573 -0.867 25474
143 1 3 . 1 1 4 4 GLY H H 4 8.824 8.824 8.003 0.821 25474
144 1 3 . 1 1 5 5 LEU N N 5 122.857 122.857 121.308 1.549 25474
145 1 3 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.767 -0.637 25474
146 1 3 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.853 0.584 25474
147 1 3 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.142 -6.114 25474
148 1 3 . 1 1 5 5 LEU H H 5 8.661 8.661 8.378 0.283 25474
149 1 3 . 1 1 6 6 CYS N N 6 118.749 118.749 121.730 -2.981 25474
150 1 3 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.574 0.068 25474
151 1 3 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.479 0.303 25474
152 1 3 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.322 -3.956 25474
153 1 3 . 1 1 6 6 CYS H H 6 8.313 8.313 8.399 -0.086 25474
154 1 3 . 1 1 7 7 TYR N N 7 120.140 120.140 125.396 -5.256 25474
155 1 3 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.595 -0.362 25474
156 1 3 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.453 -0.632 25474
157 1 3 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.301 -0.607 25474
158 1 3 . 1 1 7 7 TYR H H 7 8.014 8.014 8.495 -0.481 25474
159 1 3 . 1 1 8 8 CYS N N 8 117.450 117.450 122.895 -5.445 25474
160 1 3 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.359 -0.327 25474
161 1 3 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.424 -5.553 25474
162 1 3 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.653 -2.813 25474
163 1 3 . 1 1 8 8 CYS H H 8 8.100 8.100 8.032 0.068 25474
164 1 3 . 1 1 9 9 ARG N N 9 120.000 120.000 121.333 -1.333 25474
165 1 3 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.724 -0.789 25474
166 1 3 . 1 1 9 9 ARG CA C 9 56.412 56.412 55.200 1.212 25474
167 1 3 . 1 1 9 9 ARG CB C 9 27.467 27.467 34.083 -6.616 25474
168 1 3 . 1 1 9 9 ARG H H 9 8.331 8.331 8.521 -0.190 25474
169 1 3 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.024 0.012 25474
170 1 3 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.410 -2.814 25474
171 1 3 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.270 -1.795 25474
172 1 3 . 1 1 10 10 ARG H H 10 7.900 7.900 8.854 -0.954 25474
173 1 3 . 1 1 11 11 ARG N N 11 117.419 117.419 122.811 -5.392 25474
174 1 3 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.628 -0.634 25474
175 1 3 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.990 -1.643 25474
176 1 3 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.520 -3.045 25474
177 1 3 . 1 1 11 11 ARG H H 11 7.957 7.957 8.706 -0.749 25474
178 1 3 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.709 -0.361 25474
179 1 3 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.084 1.407 25474
180 1 3 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.164 -3.182 25474
181 1 3 . 1 1 12 12 PHE H H 12 8.138 8.138 8.253 -0.115 25474
182 1 3 . 1 1 13 13 CYS N N 13 119.944 119.944 124.602 -4.658 25474
183 1 3 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.276 -0.121 25474
184 1 3 . 1 1 13 13 CYS CB C 13 24.426 24.426 28.812 -4.386 25474
185 1 3 . 1 1 13 13 CYS H H 13 8.047 8.047 8.333 -0.286 25474
186 1 3 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.441 -0.509 25474
187 1 3 . 1 1 14 14 VAL CA C 14 61.054 61.054 61.970 -0.916 25474
188 1 3 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.880 -5.020 25474
189 1 3 . 1 1 14 14 VAL H H 14 7.836 7.836 8.341 -0.505 25474
190 1 3 . 1 1 15 15 CYS N N 15 117.212 117.212 124.769 -7.557 25474
191 1 3 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.846 -0.571 25474
192 1 3 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.226 -0.370 25474
193 1 3 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.415 -5.228 25474
194 1 3 . 1 1 15 15 CYS H H 15 8.045 8.045 8.285 -0.240 25474
195 1 3 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.584 -0.509 25474
196 1 3 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.761 -1.275 25474
197 1 3 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.323 -5.691 25474
198 1 3 . 1 1 16 16 VAL H H 16 7.743 7.743 8.539 -0.796 25474
199 1 3 . 1 1 17 17 GLY N N 17 110.355 110.355 111.421 -1.066 25474
200 1 3 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.474 -1.694 25474
201 1 3 . 1 1 17 17 GLY H H 17 8.001 8.001 8.531 -0.530 25474
202 1 4 . 1 1 2 2 GLY N N 2 111.641 111.641 108.934 2.707 25474
203 1 4 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.321 -1.712 25474
204 1 4 . 1 1 2 2 GLY H H 2 8.943 8.943 8.267 0.676 25474
205 1 4 . 1 1 3 3 GLY N N 3 108.976 108.976 106.057 2.919 25474
206 1 4 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.760 -2.027 25474
207 1 4 . 1 1 3 3 GLY H H 3 8.482 8.482 8.305 0.177 25474
208 1 4 . 1 1 4 4 GLY N N 4 110.406 110.406 107.129 3.277 25474
209 1 4 . 1 1 4 4 GLY CA C 4 43.706 43.706 45.095 -1.389 25474
210 1 4 . 1 1 4 4 GLY H H 4 8.824 8.824 7.961 0.863 25474
211 1 4 . 1 1 5 5 LEU N N 5 122.857 122.857 121.423 1.434 25474
212 1 4 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.799 -0.669 25474
213 1 4 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.744 0.693 25474
214 1 4 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.493 -6.464 25474
215 1 4 . 1 1 5 5 LEU H H 5 8.661 8.661 8.798 -0.137 25474
216 1 4 . 1 1 6 6 CYS N N 6 118.749 118.749 122.160 -3.411 25474
217 1 4 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.671 -0.029 25474
218 1 4 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.395 0.387 25474
219 1 4 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.002 -3.636 25474
220 1 4 . 1 1 6 6 CYS H H 6 8.313 8.313 8.474 -0.161 25474
221 1 4 . 1 1 7 7 TYR N N 7 120.140 120.140 125.683 -5.543 25474
222 1 4 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.600 -0.367 25474
223 1 4 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.500 -0.679 25474
224 1 4 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.382 -0.688 25474
225 1 4 . 1 1 7 7 TYR H H 7 8.014 8.014 8.578 -0.564 25474
226 1 4 . 1 1 8 8 CYS N N 8 117.450 117.450 123.561 -6.111 25474
227 1 4 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.460 -0.428 25474
228 1 4 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.159 -5.288 25474
229 1 4 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.261 -2.421 25474
230 1 4 . 1 1 8 8 CYS H H 8 8.100 8.100 7.984 0.116 25474
231 1 4 . 1 1 9 9 ARG N N 9 120.000 120.000 122.371 -2.371 25474
232 1 4 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.724 -0.789 25474
233 1 4 . 1 1 9 9 ARG CA C 9 56.412 56.412 53.861 2.551 25474
234 1 4 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.891 -6.424 25474
235 1 4 . 1 1 9 9 ARG H H 9 8.331 8.331 8.320 0.011 25474
236 1 4 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.992 0.044 25474
237 1 4 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.329 -2.733 25474
238 1 4 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.187 -1.712 25474
239 1 4 . 1 1 10 10 ARG H H 10 7.900 7.900 8.766 -0.866 25474
240 1 4 . 1 1 11 11 ARG N N 11 117.419 117.419 122.503 -5.084 25474
241 1 4 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.621 -0.627 25474
242 1 4 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.929 -1.582 25474
243 1 4 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.138 -2.663 25474
244 1 4 . 1 1 11 11 ARG H H 11 7.957 7.957 8.726 -0.769 25474
245 1 4 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.745 -0.397 25474
246 1 4 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.258 1.232 25474
247 1 4 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.424 -3.442 25474
248 1 4 . 1 1 12 12 PHE H H 12 8.138 8.138 8.150 -0.012 25474
249 1 4 . 1 1 13 13 CYS N N 13 119.944 119.944 124.762 -4.818 25474
250 1 4 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.511 -0.356 25474
251 1 4 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.085 -4.659 25474
252 1 4 . 1 1 13 13 CYS H H 13 8.047 8.047 8.498 -0.451 25474
253 1 4 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.573 -0.641 25474
254 1 4 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.175 -1.121 25474
255 1 4 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.627 -4.767 25474
256 1 4 . 1 1 14 14 VAL H H 14 7.836 7.836 8.424 -0.588 25474
257 1 4 . 1 1 15 15 CYS N N 15 117.212 117.212 125.535 -8.323 25474
258 1 4 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.471 -1.196 25474
259 1 4 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.159 -0.303 25474
260 1 4 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.348 -5.161 25474
261 1 4 . 1 1 15 15 CYS H H 15 8.045 8.045 8.251 -0.206 25474
262 1 4 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.621 -0.546 25474
263 1 4 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.816 -1.330 25474
264 1 4 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.385 -5.753 25474
265 1 4 . 1 1 16 16 VAL H H 16 7.743 7.743 9.044 -1.301 25474
266 1 4 . 1 1 17 17 GLY N N 17 110.355 110.355 112.081 -1.726 25474
267 1 4 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.678 -1.897 25474
268 1 4 . 1 1 17 17 GLY H H 17 8.001 8.001 8.541 -0.540 25474
269 1 5 . 1 1 2 2 GLY N N 2 111.641 111.641 109.671 1.970 25474
270 1 5 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.670 -2.061 25474
271 1 5 . 1 1 2 2 GLY H H 2 8.943 8.943 8.165 0.778 25474
272 1 5 . 1 1 3 3 GLY N N 3 108.976 108.976 107.602 1.374 25474
273 1 5 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.718 -1.985 25474
274 1 5 . 1 1 3 3 GLY H H 3 8.482 8.482 8.245 0.237 25474
275 1 5 . 1 1 4 4 GLY N N 4 110.406 110.406 108.194 2.212 25474
276 1 5 . 1 1 4 4 GLY CA C 4 43.706 43.706 45.117 -1.411 25474
277 1 5 . 1 1 4 4 GLY H H 4 8.824 8.824 8.120 0.704 25474
278 1 5 . 1 1 5 5 LEU N N 5 122.857 122.857 121.807 1.050 25474
279 1 5 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.851 -0.721 25474
280 1 5 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.713 0.724 25474
281 1 5 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.235 -7.206 25474
282 1 5 . 1 1 5 5 LEU H H 5 8.661 8.661 9.021 -0.360 25474
283 1 5 . 1 1 6 6 CYS N N 6 118.749 118.749 121.980 -3.231 25474
284 1 5 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.662 -0.020 25474
285 1 5 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.526 0.256 25474
286 1 5 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.165 -3.799 25474
287 1 5 . 1 1 6 6 CYS H H 6 8.313 8.313 8.490 -0.177 25474
288 1 5 . 1 1 7 7 TYR N N 7 120.140 120.140 125.616 -5.476 25474
289 1 5 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.603 -0.370 25474
290 1 5 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.483 -0.662 25474
291 1 5 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.251 -0.557 25474
292 1 5 . 1 1 7 7 TYR H H 7 8.014 8.014 8.554 -0.540 25474
293 1 5 . 1 1 8 8 CYS N N 8 117.450 117.450 124.020 -6.570 25474
294 1 5 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.482 -0.450 25474
295 1 5 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.250 -5.379 25474
296 1 5 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.438 -2.598 25474
297 1 5 . 1 1 8 8 CYS H H 8 8.100 8.100 8.274 -0.174 25474
298 1 5 . 1 1 9 9 ARG N N 9 120.000 120.000 122.642 -2.642 25474
299 1 5 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.675 -0.740 25474
300 1 5 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.317 2.095 25474
301 1 5 . 1 1 9 9 ARG CB C 9 27.467 27.467 32.798 -5.331 25474
302 1 5 . 1 1 9 9 ARG H H 9 8.331 8.331 8.333 -0.002 25474
303 1 5 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.961 0.075 25474
304 1 5 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.385 -2.789 25474
305 1 5 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.188 -1.713 25474
306 1 5 . 1 1 10 10 ARG H H 10 7.900 7.900 8.877 -0.977 25474
307 1 5 . 1 1 11 11 ARG N N 11 117.419 117.419 123.162 -5.743 25474
308 1 5 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.568 -0.574 25474
309 1 5 . 1 1 11 11 ARG CA C 11 54.347 54.347 56.110 -1.763 25474
310 1 5 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.340 -2.865 25474
311 1 5 . 1 1 11 11 ARG H H 11 7.957 7.957 8.651 -0.694 25474
312 1 5 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.751 -0.403 25474
313 1 5 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.271 1.220 25474
314 1 5 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.439 -3.457 25474
315 1 5 . 1 1 12 12 PHE H H 12 8.138 8.138 8.065 0.073 25474
316 1 5 . 1 1 13 13 CYS N N 13 119.944 119.944 124.951 -5.007 25474
317 1 5 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.495 -0.340 25474
318 1 5 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.185 -4.759 25474
319 1 5 . 1 1 13 13 CYS H H 13 8.047 8.047 8.527 -0.480 25474
320 1 5 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.578 -0.646 25474
321 1 5 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.145 -1.091 25474
322 1 5 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.557 -4.697 25474
323 1 5 . 1 1 14 14 VAL H H 14 7.836 7.836 8.464 -0.628 25474
324 1 5 . 1 1 15 15 CYS N N 15 117.212 117.212 125.814 -8.602 25474
325 1 5 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.398 -1.123 25474
326 1 5 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.158 -0.302 25474
327 1 5 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.411 -5.224 25474
328 1 5 . 1 1 15 15 CYS H H 15 8.045 8.045 8.264 -0.219 25474
329 1 5 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.656 -0.581 25474
330 1 5 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.667 -1.181 25474
331 1 5 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.242 -5.610 25474
332 1 5 . 1 1 16 16 VAL H H 16 7.743 7.743 8.973 -1.230 25474
333 1 5 . 1 1 17 17 GLY N N 17 110.355 110.355 111.974 -1.619 25474
334 1 5 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.544 -1.764 25474
335 1 5 . 1 1 17 17 GLY H H 17 8.001 8.001 8.515 -0.514 25474
336 1 6 . 1 1 2 2 GLY N N 2 111.641 111.641 109.554 2.087 25474
337 1 6 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.971 -2.362 25474
338 1 6 . 1 1 2 2 GLY H H 2 8.943 8.943 8.350 0.593 25474
339 1 6 . 1 1 3 3 GLY N N 3 108.976 108.976 111.346 -2.370 25474
340 1 6 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.577 -1.843 25474
341 1 6 . 1 1 3 3 GLY H H 3 8.482 8.482 8.168 0.314 25474
342 1 6 . 1 1 4 4 GLY N N 4 110.406 110.406 108.786 1.620 25474
343 1 6 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.765 -1.059 25474
344 1 6 . 1 1 4 4 GLY H H 4 8.824 8.824 8.150 0.674 25474
345 1 6 . 1 1 5 5 LEU N N 5 122.857 122.857 121.435 1.422 25474
346 1 6 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.757 -0.627 25474
347 1 6 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.876 0.561 25474
348 1 6 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.389 -6.360 25474
349 1 6 . 1 1 5 5 LEU H H 5 8.661 8.661 8.698 -0.037 25474
350 1 6 . 1 1 6 6 CYS N N 6 118.749 118.749 122.221 -3.472 25474
351 1 6 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.857 -0.215 25474
352 1 6 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.380 0.402 25474
353 1 6 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.219 -3.853 25474
354 1 6 . 1 1 6 6 CYS H H 6 8.313 8.313 8.468 -0.155 25474
355 1 6 . 1 1 7 7 TYR N N 7 120.140 120.140 125.794 -5.654 25474
356 1 6 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.603 -0.370 25474
357 1 6 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.648 -0.827 25474
358 1 6 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.228 -0.534 25474
359 1 6 . 1 1 7 7 TYR H H 7 8.014 8.014 8.590 -0.576 25474
360 1 6 . 1 1 8 8 CYS N N 8 117.450 117.450 123.124 -5.674 25474
361 1 6 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.435 -0.403 25474
362 1 6 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.057 -5.186 25474
363 1 6 . 1 1 8 8 CYS CB C 8 24.840 24.840 26.975 -2.135 25474
364 1 6 . 1 1 8 8 CYS H H 8 8.100 8.100 7.956 0.144 25474
365 1 6 . 1 1 9 9 ARG N N 9 120.000 120.000 122.984 -2.984 25474
366 1 6 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.704 -0.769 25474
367 1 6 . 1 1 9 9 ARG CA C 9 56.412 56.412 53.975 2.437 25474
368 1 6 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.218 -5.752 25474
369 1 6 . 1 1 9 9 ARG H H 9 8.331 8.331 8.353 -0.022 25474
370 1 6 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.979 0.057 25474
371 1 6 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.314 -2.718 25474
372 1 6 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.170 -1.695 25474
373 1 6 . 1 1 10 10 ARG H H 10 7.900 7.900 8.706 -0.806 25474
374 1 6 . 1 1 11 11 ARG N N 11 117.419 117.419 122.701 -5.282 25474
375 1 6 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.603 -0.609 25474
376 1 6 . 1 1 11 11 ARG CA C 11 54.347 54.347 56.119 -1.772 25474
377 1 6 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.032 -2.557 25474
378 1 6 . 1 1 11 11 ARG H H 11 7.957 7.957 8.722 -0.765 25474
379 1 6 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.755 -0.407 25474
380 1 6 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.226 1.265 25474
381 1 6 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.532 -3.550 25474
382 1 6 . 1 1 12 12 PHE H H 12 8.138 8.138 8.075 0.063 25474
383 1 6 . 1 1 13 13 CYS N N 13 119.944 119.944 124.073 -4.129 25474
384 1 6 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.561 -0.406 25474
385 1 6 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.392 -4.966 25474
386 1 6 . 1 1 13 13 CYS H H 13 8.047 8.047 8.490 -0.443 25474
387 1 6 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.611 -0.679 25474
388 1 6 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.083 -1.029 25474
389 1 6 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.603 -4.743 25474
390 1 6 . 1 1 14 14 VAL H H 14 7.836 7.836 8.478 -0.642 25474
391 1 6 . 1 1 15 15 CYS N N 15 117.212 117.212 125.978 -8.766 25474
392 1 6 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.969 -0.694 25474
393 1 6 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.226 -0.370 25474
394 1 6 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.712 -5.525 25474
395 1 6 . 1 1 15 15 CYS H H 15 8.045 8.045 8.295 -0.250 25474
396 1 6 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.598 -0.523 25474
397 1 6 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.822 -1.336 25474
398 1 6 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.020 -5.388 25474
399 1 6 . 1 1 16 16 VAL H H 16 7.743 7.743 9.217 -1.474 25474
400 1 6 . 1 1 17 17 GLY N N 17 110.355 110.355 112.559 -2.204 25474
401 1 6 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.757 -1.977 25474
402 1 6 . 1 1 17 17 GLY H H 17 8.001 8.001 8.453 -0.452 25474
403 1 7 . 1 1 2 2 GLY N N 2 111.641 111.641 109.035 2.606 25474
404 1 7 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.956 -2.348 25474
405 1 7 . 1 1 2 2 GLY H H 2 8.943 8.943 9.340 -0.397 25474
406 1 7 . 1 1 3 3 GLY N N 3 108.976 108.976 109.945 -0.969 25474
407 1 7 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.442 -1.709 25474
408 1 7 . 1 1 3 3 GLY H H 3 8.482 8.482 8.349 0.133 25474
409 1 7 . 1 1 4 4 GLY N N 4 110.406 110.406 107.285 3.121 25474
410 1 7 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.392 -0.685 25474
411 1 7 . 1 1 4 4 GLY H H 4 8.824 8.824 8.277 0.547 25474
412 1 7 . 1 1 5 5 LEU N N 5 122.857 122.857 122.275 0.582 25474
413 1 7 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.699 -0.569 25474
414 1 7 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.051 0.386 25474
415 1 7 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.479 -6.450 25474
416 1 7 . 1 1 5 5 LEU H H 5 8.661 8.661 8.827 -0.166 25474
417 1 7 . 1 1 6 6 CYS N N 6 118.749 118.749 121.888 -3.139 25474
418 1 7 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.596 0.046 25474
419 1 7 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.413 0.369 25474
420 1 7 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.391 -4.025 25474
421 1 7 . 1 1 6 6 CYS H H 6 8.313 8.313 8.409 -0.096 25474
422 1 7 . 1 1 7 7 TYR N N 7 120.140 120.140 125.583 -5.443 25474
423 1 7 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.610 -0.377 25474
424 1 7 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.461 -0.640 25474
425 1 7 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.307 -0.613 25474
426 1 7 . 1 1 7 7 TYR H H 7 8.014 8.014 8.518 -0.504 25474
427 1 7 . 1 1 8 8 CYS N N 8 117.450 117.450 123.037 -5.587 25474
428 1 7 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.364 -0.332 25474
429 1 7 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.166 -5.295 25474
430 1 7 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.833 -2.993 25474
431 1 7 . 1 1 8 8 CYS H H 8 8.100 8.100 7.884 0.216 25474
432 1 7 . 1 1 9 9 ARG N N 9 120.000 120.000 121.230 -1.230 25474
433 1 7 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.700 -0.765 25474
434 1 7 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.094 2.318 25474
435 1 7 . 1 1 9 9 ARG CB C 9 27.467 27.467 34.099 -6.632 25474
436 1 7 . 1 1 9 9 ARG H H 9 8.331 8.331 8.522 -0.191 25474
437 1 7 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.013 0.023 25474
438 1 7 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.359 -2.763 25474
439 1 7 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.230 -1.755 25474
440 1 7 . 1 1 10 10 ARG H H 10 7.900 7.900 8.799 -0.899 25474
441 1 7 . 1 1 11 11 ARG N N 11 117.419 117.419 122.727 -5.308 25474
442 1 7 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.618 -0.624 25474
443 1 7 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.948 -1.601 25474
444 1 7 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.486 -3.011 25474
445 1 7 . 1 1 11 11 ARG H H 11 7.957 7.957 8.709 -0.752 25474
446 1 7 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.728 -0.380 25474
447 1 7 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.212 1.280 25474
448 1 7 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.306 -3.324 25474
449 1 7 . 1 1 12 12 PHE H H 12 8.138 8.138 8.174 -0.036 25474
450 1 7 . 1 1 13 13 CYS N N 13 119.944 119.944 123.924 -3.980 25474
451 1 7 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.312 -0.157 25474
452 1 7 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.120 -4.694 25474
453 1 7 . 1 1 13 13 CYS H H 13 8.047 8.047 8.398 -0.351 25474
454 1 7 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.533 -0.601 25474
455 1 7 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.021 -0.967 25474
456 1 7 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.528 -4.668 25474
457 1 7 . 1 1 14 14 VAL H H 14 7.836 7.836 8.335 -0.499 25474
458 1 7 . 1 1 15 15 CYS N N 15 117.212 117.212 125.556 -8.344 25474
459 1 7 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.811 -0.536 25474
460 1 7 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.293 -0.437 25474
461 1 7 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.834 -5.647 25474
462 1 7 . 1 1 15 15 CYS H H 15 8.045 8.045 8.290 -0.245 25474
463 1 7 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.601 -0.526 25474
464 1 7 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.765 -1.279 25474
465 1 7 . 1 1 16 16 VAL CB C 16 29.632 29.632 34.804 -5.172 25474
466 1 7 . 1 1 16 16 VAL H H 16 7.743 7.743 8.927 -1.184 25474
467 1 7 . 1 1 17 17 GLY N N 17 110.355 110.355 112.656 -2.301 25474
468 1 7 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.316 -1.536 25474
469 1 7 . 1 1 17 17 GLY H H 17 8.001 8.001 8.484 -0.483 25474
470 1 8 . 1 1 2 2 GLY N N 2 111.641 111.641 109.173 2.468 25474
471 1 8 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.582 -1.973 25474
472 1 8 . 1 1 2 2 GLY H H 2 8.943 8.943 8.566 0.377 25474
473 1 8 . 1 1 3 3 GLY N N 3 108.976 108.976 108.114 0.862 25474
474 1 8 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.902 -2.169 25474
475 1 8 . 1 1 3 3 GLY H H 3 8.482 8.482 8.325 0.157 25474
476 1 8 . 1 1 4 4 GLY N N 4 110.406 110.406 107.470 2.936 25474
477 1 8 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.718 -1.012 25474
478 1 8 . 1 1 4 4 GLY H H 4 8.824 8.824 8.231 0.593 25474
479 1 8 . 1 1 5 5 LEU N N 5 122.857 122.857 121.703 1.154 25474
480 1 8 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.668 -0.538 25474
481 1 8 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.361 0.076 25474
482 1 8 . 1 1 5 5 LEU CB C 5 39.029 39.029 44.818 -5.789 25474
483 1 8 . 1 1 5 5 LEU H H 5 8.661 8.661 8.508 0.153 25474
484 1 8 . 1 1 6 6 CYS N N 6 118.749 118.749 122.137 -3.388 25474
485 1 8 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.633 0.009 25474
486 1 8 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.330 0.452 25474
487 1 8 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.009 -3.643 25474
488 1 8 . 1 1 6 6 CYS H H 6 8.313 8.313 8.429 -0.116 25474
489 1 8 . 1 1 7 7 TYR N N 7 120.140 120.140 125.686 -5.546 25474
490 1 8 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.603 -0.370 25474
491 1 8 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.687 -0.866 25474
492 1 8 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.248 -0.554 25474
493 1 8 . 1 1 7 7 TYR H H 7 8.014 8.014 8.586 -0.572 25474
494 1 8 . 1 1 8 8 CYS N N 8 117.450 117.450 123.630 -6.180 25474
495 1 8 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.522 -0.490 25474
496 1 8 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.200 -5.329 25474
497 1 8 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.022 -2.182 25474
498 1 8 . 1 1 8 8 CYS H H 8 8.100 8.100 8.155 -0.055 25474
499 1 8 . 1 1 9 9 ARG N N 9 120.000 120.000 123.139 -3.139 25474
500 1 8 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.692 -0.757 25474
501 1 8 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.957 1.455 25474
502 1 8 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.806 -6.339 25474
503 1 8 . 1 1 9 9 ARG H H 9 8.331 8.331 8.298 0.033 25474
504 1 8 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.011 0.025 25474
505 1 8 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.378 -2.782 25474
506 1 8 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.359 -1.884 25474
507 1 8 . 1 1 10 10 ARG H H 10 7.900 7.900 8.762 -0.862 25474
508 1 8 . 1 1 11 11 ARG N N 11 117.419 117.419 122.722 -5.303 25474
509 1 8 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.642 -0.648 25474
510 1 8 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.938 -1.591 25474
511 1 8 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.626 -3.151 25474
512 1 8 . 1 1 11 11 ARG H H 11 7.957 7.957 8.710 -0.753 25474
513 1 8 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.748 -0.400 25474
514 1 8 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.339 1.152 25474
515 1 8 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.349 -3.368 25474
516 1 8 . 1 1 12 12 PHE H H 12 8.138 8.138 8.154 -0.016 25474
517 1 8 . 1 1 13 13 CYS N N 13 119.944 119.944 123.971 -4.027 25474
518 1 8 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.531 -0.376 25474
519 1 8 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.183 -4.757 25474
520 1 8 . 1 1 13 13 CYS H H 13 8.047 8.047 8.455 -0.408 25474
521 1 8 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.580 -0.648 25474
522 1 8 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.166 -1.111 25474
523 1 8 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.628 -4.768 25474
524 1 8 . 1 1 14 14 VAL H H 14 7.836 7.836 8.435 -0.599 25474
525 1 8 . 1 1 15 15 CYS N N 15 117.212 117.212 126.672 -9.460 25474
526 1 8 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.412 -1.137 25474
527 1 8 . 1 1 15 15 CYS CA C 15 57.856 57.856 57.943 -0.087 25474
528 1 8 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.564 -5.377 25474
529 1 8 . 1 1 15 15 CYS H H 15 8.045 8.045 8.164 -0.119 25474
530 1 8 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.734 -0.659 25474
531 1 8 . 1 1 16 16 VAL CA C 16 59.486 59.486 59.948 -0.462 25474
532 1 8 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.514 -5.882 25474
533 1 8 . 1 1 16 16 VAL H H 16 7.743 7.743 9.010 -1.267 25474
534 1 8 . 1 1 17 17 GLY N N 17 110.355 110.355 110.790 -0.435 25474
535 1 8 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.743 -1.963 25474
536 1 8 . 1 1 17 17 GLY H H 17 8.001 8.001 8.545 -0.544 25474
537 1 9 . 1 1 2 2 GLY N N 2 111.641 111.641 108.894 2.747 25474
538 1 9 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.778 -2.169 25474
539 1 9 . 1 1 2 2 GLY H H 2 8.943 8.943 8.527 0.416 25474
540 1 9 . 1 1 3 3 GLY N N 3 108.976 108.976 108.803 0.173 25474
541 1 9 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.928 -2.195 25474
542 1 9 . 1 1 3 3 GLY H H 3 8.482 8.482 8.677 -0.195 25474
543 1 9 . 1 1 4 4 GLY N N 4 110.406 110.406 107.381 3.025 25474
544 1 9 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.823 -1.117 25474
545 1 9 . 1 1 4 4 GLY H H 4 8.824 8.824 7.886 0.938 25474
546 1 9 . 1 1 5 5 LEU N N 5 122.857 122.857 121.309 1.548 25474
547 1 9 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.763 -0.633 25474
548 1 9 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.839 0.598 25474
549 1 9 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.109 -6.080 25474
550 1 9 . 1 1 5 5 LEU H H 5 8.661 8.661 8.592 0.069 25474
551 1 9 . 1 1 6 6 CYS N N 6 118.749 118.749 122.290 -3.541 25474
552 1 9 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.614 0.028 25474
553 1 9 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.482 0.300 25474
554 1 9 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.012 -3.646 25474
555 1 9 . 1 1 6 6 CYS H H 6 8.313 8.313 8.440 -0.127 25474
556 1 9 . 1 1 7 7 TYR N N 7 120.140 120.140 126.108 -5.968 25474
557 1 9 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.671 -0.438 25474
558 1 9 . 1 1 7 7 TYR CA C 7 57.821 57.821 57.883 -0.062 25474
559 1 9 . 1 1 7 7 TYR CB C 7 40.694 40.694 42.023 -1.329 25474
560 1 9 . 1 1 7 7 TYR H H 7 8.014 8.014 8.588 -0.574 25474
561 1 9 . 1 1 8 8 CYS N N 8 117.450 117.450 122.879 -5.429 25474
562 1 9 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.403 -0.371 25474
563 1 9 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.470 -5.599 25474
564 1 9 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.481 -2.641 25474
565 1 9 . 1 1 8 8 CYS H H 8 8.100 8.100 8.345 -0.245 25474
566 1 9 . 1 1 9 9 ARG N N 9 120.000 120.000 121.785 -1.785 25474
567 1 9 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.686 -0.751 25474
568 1 9 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.711 1.701 25474
569 1 9 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.672 -6.205 25474
570 1 9 . 1 1 9 9 ARG H H 9 8.331 8.331 8.335 -0.004 25474
571 1 9 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.011 0.025 25474
572 1 9 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.383 -2.787 25474
573 1 9 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.292 -1.817 25474
574 1 9 . 1 1 10 10 ARG H H 10 7.900 7.900 8.702 -0.802 25474
575 1 9 . 1 1 11 11 ARG N N 11 117.419 117.419 122.453 -5.034 25474
576 1 9 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.627 -0.633 25474
577 1 9 . 1 1 11 11 ARG CA C 11 54.347 54.347 56.015 -1.668 25474
578 1 9 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.203 -2.728 25474
579 1 9 . 1 1 11 11 ARG H H 11 7.957 7.957 8.746 -0.789 25474
580 1 9 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.719 -0.371 25474
581 1 9 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.150 1.341 25474
582 1 9 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.164 -3.182 25474
583 1 9 . 1 1 12 12 PHE H H 12 8.138 8.138 8.194 -0.056 25474
584 1 9 . 1 1 13 13 CYS N N 13 119.944 119.944 125.087 -5.143 25474
585 1 9 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.365 -0.210 25474
586 1 9 . 1 1 13 13 CYS CB C 13 24.426 24.426 28.645 -4.219 25474
587 1 9 . 1 1 13 13 CYS H H 13 8.047 8.047 8.464 -0.417 25474
588 1 9 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.516 -0.584 25474
589 1 9 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.114 -1.060 25474
590 1 9 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.612 -4.752 25474
591 1 9 . 1 1 14 14 VAL H H 14 7.836 7.836 8.314 -0.478 25474
592 1 9 . 1 1 15 15 CYS N N 15 117.212 117.212 124.458 -7.246 25474
593 1 9 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.813 -0.538 25474
594 1 9 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.264 -0.408 25474
595 1 9 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.328 -5.141 25474
596 1 9 . 1 1 15 15 CYS H H 15 8.045 8.045 8.267 -0.222 25474
597 1 9 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.516 -0.441 25474
598 1 9 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.857 -1.371 25474
599 1 9 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.447 -5.815 25474
600 1 9 . 1 1 16 16 VAL H H 16 7.743 7.743 8.523 -0.780 25474
601 1 9 . 1 1 17 17 GLY N N 17 110.355 110.355 112.009 -1.654 25474
602 1 9 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.722 -1.942 25474
603 1 9 . 1 1 17 17 GLY H H 17 8.001 8.001 8.375 -0.374 25474
604 1 10 . 1 1 2 2 GLY N N 2 111.641 111.641 108.841 2.800 25474
605 1 10 . 1 1 2 2 GLY CA C 2 42.609 42.609 45.071 -2.462 25474
606 1 10 . 1 1 2 2 GLY H H 2 8.943 8.943 8.506 0.437 25474
607 1 10 . 1 1 3 3 GLY N N 3 108.976 108.976 108.212 0.764 25474
608 1 10 . 1 1 3 3 GLY CA C 3 42.733 42.733 45.356 -2.623 25474
609 1 10 . 1 1 3 3 GLY H H 3 8.482 8.482 8.350 0.132 25474
610 1 10 . 1 1 4 4 GLY N N 4 110.406 110.406 112.476 -2.070 25474
611 1 10 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.578 -0.872 25474
612 1 10 . 1 1 4 4 GLY H H 4 8.824 8.824 8.119 0.705 25474
613 1 10 . 1 1 5 5 LEU N N 5 122.857 122.857 121.429 1.428 25474
614 1 10 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.824 -0.694 25474
615 1 10 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.097 0.340 25474
616 1 10 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.021 -6.992 25474
617 1 10 . 1 1 5 5 LEU H H 5 8.661 8.661 8.601 0.060 25474
618 1 10 . 1 1 6 6 CYS N N 6 118.749 118.749 121.741 -2.992 25474
619 1 10 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.688 -0.046 25474
620 1 10 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.468 0.314 25474
621 1 10 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.103 -3.737 25474
622 1 10 . 1 1 6 6 CYS H H 6 8.313 8.313 8.489 -0.176 25474
623 1 10 . 1 1 7 7 TYR N N 7 120.140 120.140 125.595 -5.455 25474
624 1 10 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.600 -0.367 25474
625 1 10 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.681 -0.860 25474
626 1 10 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.188 -0.493 25474
627 1 10 . 1 1 7 7 TYR H H 7 8.014 8.014 8.576 -0.562 25474
628 1 10 . 1 1 8 8 CYS N N 8 117.450 117.450 123.421 -5.971 25474
629 1 10 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.471 -0.439 25474
630 1 10 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.147 -5.276 25474
631 1 10 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.571 -2.731 25474
632 1 10 . 1 1 8 8 CYS H H 8 8.100 8.100 7.982 0.118 25474
633 1 10 . 1 1 9 9 ARG N N 9 120.000 120.000 121.769 -1.769 25474
634 1 10 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.710 -0.775 25474
635 1 10 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.213 2.199 25474
636 1 10 . 1 1 9 9 ARG CB C 9 27.467 27.467 34.289 -6.822 25474
637 1 10 . 1 1 9 9 ARG H H 9 8.331 8.331 8.454 -0.123 25474
638 1 10 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.008 0.028 25474
639 1 10 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.360 -2.764 25474
640 1 10 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.288 -1.812 25474
641 1 10 . 1 1 10 10 ARG H H 10 7.900 7.900 8.790 -0.890 25474
642 1 10 . 1 1 11 11 ARG N N 11 117.419 117.419 122.782 -5.363 25474
643 1 10 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.635 -0.641 25474
644 1 10 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.940 -1.593 25474
645 1 10 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.594 -3.119 25474
646 1 10 . 1 1 11 11 ARG H H 11 7.957 7.957 8.702 -0.745 25474
647 1 10 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.742 -0.394 25474
648 1 10 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.291 1.200 25474
649 1 10 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.346 -3.365 25474
650 1 10 . 1 1 12 12 PHE H H 12 8.138 8.138 8.163 -0.025 25474
651 1 10 . 1 1 13 13 CYS N N 13 119.944 119.944 123.560 -3.616 25474
652 1 10 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.447 -0.292 25474
653 1 10 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.280 -4.854 25474
654 1 10 . 1 1 13 13 CYS H H 13 8.047 8.047 8.443 -0.396 25474
655 1 10 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.578 -0.646 25474
656 1 10 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.120 -1.066 25474
657 1 10 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.644 -4.784 25474
658 1 10 . 1 1 14 14 VAL H H 14 7.836 7.836 8.429 -0.593 25474
659 1 10 . 1 1 15 15 CYS N N 15 117.212 117.212 127.050 -9.838 25474
660 1 10 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.327 -1.052 25474
661 1 10 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.056 -0.200 25474
662 1 10 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.280 -5.093 25474
663 1 10 . 1 1 15 15 CYS H H 15 8.045 8.045 8.152 -0.107 25474
664 1 10 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.711 -0.636 25474
665 1 10 . 1 1 16 16 VAL CA C 16 59.486 59.486 59.684 -0.198 25474
666 1 10 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.173 -5.541 25474
667 1 10 . 1 1 16 16 VAL H H 16 7.743 7.743 8.999 -1.256 25474
668 1 10 . 1 1 17 17 GLY N N 17 110.355 110.355 111.859 -1.504 25474
669 1 10 . 1 1 17 17 GLY CA C 17 42.780 42.780 45.094 -2.314 25474
670 1 10 . 1 1 17 17 GLY H H 17 8.001 8.001 8.598 -0.597 25474
671 1 11 . 1 1 2 2 GLY N N 2 111.641 111.641 108.019 3.622 25474
672 1 11 . 1 1 2 2 GLY CA C 2 42.609 42.609 45.102 -2.494 25474
673 1 11 . 1 1 2 2 GLY H H 2 8.943 8.943 9.767 -0.824 25474
674 1 11 . 1 1 3 3 GLY N N 3 108.976 108.976 108.772 0.204 25474
675 1 11 . 1 1 3 3 GLY CA C 3 42.733 42.733 45.376 -2.643 25474
676 1 11 . 1 1 3 3 GLY H H 3 8.482 8.482 8.354 0.128 25474
677 1 11 . 1 1 4 4 GLY N N 4 110.406 110.406 108.527 1.879 25474
678 1 11 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.794 -1.089 25474
679 1 11 . 1 1 4 4 GLY H H 4 8.824 8.824 8.215 0.609 25474
680 1 11 . 1 1 5 5 LEU N N 5 122.857 122.857 121.610 1.247 25474
681 1 11 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.844 -0.714 25474
682 1 11 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.461 -0.024 25474
683 1 11 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.866 -7.837 25474
684 1 11 . 1 1 5 5 LEU H H 5 8.661 8.661 8.838 -0.177 25474
685 1 11 . 1 1 6 6 CYS N N 6 118.749 118.749 121.840 -3.091 25474
686 1 11 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.792 -0.150 25474
687 1 11 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.124 0.658 25474
688 1 11 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.500 -4.134 25474
689 1 11 . 1 1 6 6 CYS H H 6 8.313 8.313 8.522 -0.209 25474
690 1 11 . 1 1 7 7 TYR N N 7 120.140 120.140 125.616 -5.476 25474
691 1 11 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.616 -0.383 25474
692 1 11 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.651 -0.830 25474
693 1 11 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.235 -0.541 25474
694 1 11 . 1 1 7 7 TYR H H 7 8.014 8.014 8.590 -0.576 25474
695 1 11 . 1 1 8 8 CYS N N 8 117.450 117.450 122.761 -5.311 25474
696 1 11 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.423 -0.391 25474
697 1 11 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.139 -5.268 25474
698 1 11 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.938 -3.098 25474
699 1 11 . 1 1 8 8 CYS H H 8 8.100 8.100 8.122 -0.022 25474
700 1 11 . 1 1 9 9 ARG N N 9 120.000 120.000 121.397 -1.397 25474
701 1 11 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.656 -0.721 25474
702 1 11 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.867 1.546 25474
703 1 11 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.498 -6.031 25474
704 1 11 . 1 1 9 9 ARG H H 9 8.331 8.331 8.365 -0.034 25474
705 1 11 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.987 0.049 25474
706 1 11 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.388 -2.792 25474
707 1 11 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.341 -1.866 25474
708 1 11 . 1 1 10 10 ARG H H 10 7.900 7.900 8.707 -0.807 25474
709 1 11 . 1 1 11 11 ARG N N 11 117.419 117.419 122.787 -5.368 25474
710 1 11 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.599 -0.605 25474
711 1 11 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.975 -1.628 25474
712 1 11 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.491 -3.017 25474
713 1 11 . 1 1 11 11 ARG H H 11 7.957 7.957 8.706 -0.749 25474
714 1 11 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.746 -0.398 25474
715 1 11 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.271 1.220 25474
716 1 11 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.401 -3.419 25474
717 1 11 . 1 1 12 12 PHE H H 12 8.138 8.138 8.132 0.006 25474
718 1 11 . 1 1 13 13 CYS N N 13 119.944 119.944 125.188 -5.244 25474
719 1 11 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.436 -0.281 25474
720 1 11 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.208 -4.782 25474
721 1 11 . 1 1 13 13 CYS H H 13 8.047 8.047 8.549 -0.502 25474
722 1 11 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.621 -0.689 25474
723 1 11 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.078 -1.024 25474
724 1 11 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.611 -4.751 25474
725 1 11 . 1 1 14 14 VAL H H 14 7.836 7.836 8.476 -0.640 25474
726 1 11 . 1 1 15 15 CYS N N 15 117.212 117.212 125.276 -8.064 25474
727 1 11 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.050 -0.775 25474
728 1 11 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.239 -0.383 25474
729 1 11 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.369 -5.182 25474
730 1 11 . 1 1 15 15 CYS H H 15 8.045 8.045 8.262 -0.217 25474
731 1 11 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.610 -0.535 25474
732 1 11 . 1 1 16 16 VAL CA C 16 59.486 59.486 61.215 -1.729 25474
733 1 11 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.241 -5.609 25474
734 1 11 . 1 1 16 16 VAL H H 16 7.743 7.743 9.280 -1.537 25474
735 1 11 . 1 1 17 17 GLY N N 17 110.355 110.355 113.080 -2.725 25474
736 1 11 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.674 -1.894 25474
737 1 11 . 1 1 17 17 GLY H H 17 8.001 8.001 8.385 -0.384 25474
738 1 12 . 1 1 2 2 GLY N N 2 111.641 111.641 109.715 1.926 25474
739 1 12 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.914 -2.305 25474
740 1 12 . 1 1 2 2 GLY H H 2 8.943 8.943 8.248 0.695 25474
741 1 12 . 1 1 3 3 GLY N N 3 108.976 108.976 108.640 0.336 25474
742 1 12 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.861 -2.128 25474
743 1 12 . 1 1 3 3 GLY H H 3 8.482 8.482 8.451 0.031 25474
744 1 12 . 1 1 4 4 GLY N N 4 110.406 110.406 112.330 -1.924 25474
745 1 12 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.791 -1.085 25474
746 1 12 . 1 1 4 4 GLY H H 4 8.824 8.824 8.179 0.645 25474
747 1 12 . 1 1 5 5 LEU N N 5 122.857 122.857 121.181 1.676 25474
748 1 12 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.768 -0.638 25474
749 1 12 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.260 0.177 25474
750 1 12 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.263 -7.234 25474
751 1 12 . 1 1 5 5 LEU H H 5 8.661 8.661 8.099 0.562 25474
752 1 12 . 1 1 6 6 CYS N N 6 118.749 118.749 121.302 -2.553 25474
753 1 12 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.628 0.014 25474
754 1 12 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.538 0.244 25474
755 1 12 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.218 -3.852 25474
756 1 12 . 1 1 6 6 CYS H H 6 8.313 8.313 8.433 -0.120 25474
757 1 12 . 1 1 7 7 TYR N N 7 120.140 120.140 125.695 -5.555 25474
758 1 12 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.609 -0.376 25474
759 1 12 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.625 -0.804 25474
760 1 12 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.179 -0.485 25474
761 1 12 . 1 1 7 7 TYR H H 7 8.014 8.014 8.556 -0.542 25474
762 1 12 . 1 1 8 8 CYS N N 8 117.450 117.450 123.229 -5.779 25474
763 1 12 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.432 -0.400 25474
764 1 12 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.172 -5.301 25474
765 1 12 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.466 -2.626 25474
766 1 12 . 1 1 8 8 CYS H H 8 8.100 8.100 7.933 0.167 25474
767 1 12 . 1 1 9 9 ARG N N 9 120.000 120.000 122.474 -2.474 25474
768 1 12 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.672 -0.737 25474
769 1 12 . 1 1 9 9 ARG CA C 9 56.412 56.412 55.248 1.164 25474
770 1 12 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.864 -6.397 25474
771 1 12 . 1 1 9 9 ARG H H 9 8.331 8.331 8.246 0.085 25474
772 1 12 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.026 0.010 25474
773 1 12 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.385 -2.789 25474
774 1 12 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.252 -1.777 25474
775 1 12 . 1 1 10 10 ARG H H 10 7.900 7.900 8.794 -0.894 25474
776 1 12 . 1 1 11 11 ARG N N 11 117.419 117.419 122.451 -5.032 25474
777 1 12 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.625 -0.631 25474
778 1 12 . 1 1 11 11 ARG CA C 11 54.347 54.347 56.043 -1.696 25474
779 1 12 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.371 -2.896 25474
780 1 12 . 1 1 11 11 ARG H H 11 7.957 7.957 8.740 -0.783 25474
781 1 12 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.707 -0.359 25474
782 1 12 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.195 1.296 25474
783 1 12 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.154 -3.171 25474
784 1 12 . 1 1 12 12 PHE H H 12 8.138 8.138 8.179 -0.041 25474
785 1 12 . 1 1 13 13 CYS N N 13 119.944 119.944 125.237 -5.293 25474
786 1 12 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.397 -0.242 25474
787 1 12 . 1 1 13 13 CYS CB C 13 24.426 24.426 28.766 -4.340 25474
788 1 12 . 1 1 13 13 CYS H H 13 8.047 8.047 8.444 -0.397 25474
789 1 12 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.492 -0.560 25474
790 1 12 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.178 -1.124 25474
791 1 12 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.620 -4.760 25474
792 1 12 . 1 1 14 14 VAL H H 14 7.836 7.836 8.337 -0.501 25474
793 1 12 . 1 1 15 15 CYS N N 15 117.212 117.212 126.071 -8.859 25474
794 1 12 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.808 -0.533 25474
795 1 12 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.269 -0.413 25474
796 1 12 . 1 1 15 15 CYS CB C 15 25.187 25.187 29.651 -4.464 25474
797 1 12 . 1 1 15 15 CYS H H 15 8.045 8.045 8.303 -0.258 25474
798 1 12 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.586 -0.511 25474
799 1 12 . 1 1 16 16 VAL CA C 16 59.486 59.486 59.678 -0.192 25474
800 1 12 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.186 -5.554 25474
801 1 12 . 1 1 16 16 VAL H H 16 7.743 7.743 8.753 -1.010 25474
802 1 12 . 1 1 17 17 GLY N N 17 110.355 110.355 111.049 -0.694 25474
803 1 12 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.451 -1.671 25474
804 1 12 . 1 1 17 17 GLY H H 17 8.001 8.001 8.548 -0.547 25474
805 1 13 . 1 1 2 2 GLY N N 2 111.641 111.641 108.867 2.774 25474
806 1 13 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.550 -1.941 25474
807 1 13 . 1 1 2 2 GLY H H 2 8.943 8.943 8.202 0.741 25474
808 1 13 . 1 1 3 3 GLY N N 3 108.976 108.976 107.683 1.293 25474
809 1 13 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.795 -2.062 25474
810 1 13 . 1 1 3 3 GLY H H 3 8.482 8.482 8.470 0.012 25474
811 1 13 . 1 1 4 4 GLY N N 4 110.406 110.406 109.595 0.811 25474
812 1 13 . 1 1 4 4 GLY CA C 4 43.706 43.706 45.259 -1.553 25474
813 1 13 . 1 1 4 4 GLY H H 4 8.824 8.824 7.886 0.938 25474
814 1 13 . 1 1 5 5 LEU N N 5 122.857 122.857 121.613 1.244 25474
815 1 13 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.846 -0.716 25474
816 1 13 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.647 0.790 25474
817 1 13 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.902 -6.873 25474
818 1 13 . 1 1 5 5 LEU H H 5 8.661 8.661 8.959 -0.298 25474
819 1 13 . 1 1 6 6 CYS N N 6 118.749 118.749 121.981 -3.232 25474
820 1 13 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.672 -0.030 25474
821 1 13 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.477 0.305 25474
822 1 13 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.265 -3.899 25474
823 1 13 . 1 1 6 6 CYS H H 6 8.313 8.313 8.470 -0.157 25474
824 1 13 . 1 1 7 7 TYR N N 7 120.140 120.140 125.728 -5.588 25474
825 1 13 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.619 -0.386 25474
826 1 13 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.592 -0.771 25474
827 1 13 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.168 -0.474 25474
828 1 13 . 1 1 7 7 TYR H H 7 8.014 8.014 8.584 -0.570 25474
829 1 13 . 1 1 8 8 CYS N N 8 117.450 117.450 123.365 -5.915 25474
830 1 13 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.500 -0.468 25474
831 1 13 . 1 1 8 8 CYS CA C 8 52.871 52.871 57.994 -5.123 25474
832 1 13 . 1 1 8 8 CYS CB C 8 24.840 24.840 28.140 -3.300 25474
833 1 13 . 1 1 8 8 CYS H H 8 8.100 8.100 8.472 -0.372 25474
834 1 13 . 1 1 9 9 ARG N N 9 120.000 120.000 122.794 -2.794 25474
835 1 13 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.688 -0.753 25474
836 1 13 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.382 2.030 25474
837 1 13 . 1 1 9 9 ARG CB C 9 27.467 27.467 32.868 -5.401 25474
838 1 13 . 1 1 9 9 ARG H H 9 8.331 8.331 8.336 -0.005 25474
839 1 13 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.047 -0.011 25474
840 1 13 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.309 -2.713 25474
841 1 13 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.548 -2.073 25474
842 1 13 . 1 1 10 10 ARG H H 10 7.900 7.900 8.575 -0.675 25474
843 1 13 . 1 1 11 11 ARG N N 11 117.419 117.419 122.497 -5.078 25474
844 1 13 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.632 -0.638 25474
845 1 13 . 1 1 11 11 ARG CA C 11 54.347 54.347 56.022 -1.675 25474
846 1 13 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.305 -2.830 25474
847 1 13 . 1 1 11 11 ARG H H 11 7.957 7.957 8.745 -0.788 25474
848 1 13 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.744 -0.396 25474
849 1 13 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.293 1.198 25474
850 1 13 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.342 -3.360 25474
851 1 13 . 1 1 12 12 PHE H H 12 8.138 8.138 8.138 0.000 25474
852 1 13 . 1 1 13 13 CYS N N 13 119.944 119.944 124.589 -4.645 25474
853 1 13 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.539 -0.384 25474
854 1 13 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.275 -4.849 25474
855 1 13 . 1 1 13 13 CYS H H 13 8.047 8.047 8.511 -0.464 25474
856 1 13 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.621 -0.689 25474
857 1 13 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.095 -1.041 25474
858 1 13 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.639 -4.779 25474
859 1 13 . 1 1 14 14 VAL H H 14 7.836 7.836 8.486 -0.650 25474
860 1 13 . 1 1 15 15 CYS N N 15 117.212 117.212 126.167 -8.955 25474
861 1 13 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.448 -1.173 25474
862 1 13 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.165 -0.309 25474
863 1 13 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.442 -5.255 25474
864 1 13 . 1 1 15 15 CYS H H 15 8.045 8.045 8.264 -0.219 25474
865 1 13 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.634 -0.559 25474
866 1 13 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.826 -1.340 25474
867 1 13 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.319 -5.687 25474
868 1 13 . 1 1 16 16 VAL H H 16 7.743 7.743 9.063 -1.320 25474
869 1 13 . 1 1 17 17 GLY N N 17 110.355 110.355 112.183 -1.828 25474
870 1 13 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.618 -1.838 25474
871 1 13 . 1 1 17 17 GLY H H 17 8.001 8.001 8.542 -0.541 25474
872 1 14 . 1 1 2 2 GLY N N 2 111.641 111.641 108.757 2.884 25474
873 1 14 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.339 -1.730 25474
874 1 14 . 1 1 2 2 GLY H H 2 8.943 8.943 8.311 0.632 25474
875 1 14 . 1 1 3 3 GLY N N 3 108.976 108.976 111.148 -2.172 25474
876 1 14 . 1 1 3 3 GLY CA C 3 42.733 42.733 45.150 -2.417 25474
877 1 14 . 1 1 3 3 GLY H H 3 8.482 8.482 8.517 -0.035 25474
878 1 14 . 1 1 4 4 GLY N N 4 110.406 110.406 108.883 1.523 25474
879 1 14 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.775 -1.069 25474
880 1 14 . 1 1 4 4 GLY H H 4 8.824 8.824 8.073 0.751 25474
881 1 14 . 1 1 5 5 LEU N N 5 122.857 122.857 121.174 1.683 25474
882 1 14 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.763 -0.633 25474
883 1 14 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.646 -0.209 25474
884 1 14 . 1 1 5 5 LEU CB C 5 39.029 39.029 44.858 -5.829 25474
885 1 14 . 1 1 5 5 LEU H H 5 8.661 8.661 8.264 0.397 25474
886 1 14 . 1 1 6 6 CYS N N 6 118.749 118.749 121.881 -3.132 25474
887 1 14 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.556 0.086 25474
888 1 14 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.420 0.362 25474
889 1 14 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.171 -3.805 25474
890 1 14 . 1 1 6 6 CYS H H 6 8.313 8.313 8.358 -0.045 25474
891 1 14 . 1 1 7 7 TYR N N 7 120.140 120.140 125.523 -5.383 25474
892 1 14 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.608 -0.375 25474
893 1 14 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.461 -0.639 25474
894 1 14 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.294 -0.600 25474
895 1 14 . 1 1 7 7 TYR H H 7 8.014 8.014 8.527 -0.513 25474
896 1 14 . 1 1 8 8 CYS N N 8 117.450 117.450 123.684 -6.234 25474
897 1 14 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.462 -0.430 25474
898 1 14 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.281 -5.410 25474
899 1 14 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.738 -2.898 25474
900 1 14 . 1 1 8 8 CYS H H 8 8.100 8.100 8.294 -0.194 25474
901 1 14 . 1 1 9 9 ARG N N 9 120.000 120.000 122.215 -2.215 25474
902 1 14 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.664 -0.729 25474
903 1 14 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.163 2.249 25474
904 1 14 . 1 1 9 9 ARG CB C 9 27.467 27.467 32.877 -5.410 25474
905 1 14 . 1 1 9 9 ARG H H 9 8.331 8.331 8.313 0.018 25474
906 1 14 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.936 0.100 25474
907 1 14 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.400 -2.804 25474
908 1 14 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.140 -1.665 25474
909 1 14 . 1 1 10 10 ARG H H 10 7.900 7.900 8.842 -0.942 25474
910 1 14 . 1 1 11 11 ARG N N 11 117.419 117.419 123.124 -5.705 25474
911 1 14 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.564 -0.570 25474
912 1 14 . 1 1 11 11 ARG CA C 11 54.347 54.347 56.255 -1.908 25474
913 1 14 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.106 -2.631 25474
914 1 14 . 1 1 11 11 ARG H H 11 7.957 7.957 8.667 -0.710 25474
915 1 14 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.728 -0.380 25474
916 1 14 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.206 1.285 25474
917 1 14 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.349 -3.367 25474
918 1 14 . 1 1 12 12 PHE H H 12 8.138 8.138 8.000 0.138 25474
919 1 14 . 1 1 13 13 CYS N N 13 119.944 119.944 124.850 -4.906 25474
920 1 14 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.460 -0.305 25474
921 1 14 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.229 -4.803 25474
922 1 14 . 1 1 13 13 CYS H H 13 8.047 8.047 8.527 -0.480 25474
923 1 14 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.559 -0.627 25474
924 1 14 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.210 -1.156 25474
925 1 14 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.620 -4.761 25474
926 1 14 . 1 1 14 14 VAL H H 14 7.836 7.836 8.446 -0.610 25474
927 1 14 . 1 1 15 15 CYS N N 15 117.212 117.212 126.204 -8.992 25474
928 1 14 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.837 -0.562 25474
929 1 14 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.219 -0.363 25474
930 1 14 . 1 1 15 15 CYS CB C 15 25.187 25.187 29.948 -4.761 25474
931 1 14 . 1 1 15 15 CYS H H 15 8.045 8.045 8.361 -0.316 25474
932 1 14 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.663 -0.588 25474
933 1 14 . 1 1 16 16 VAL CA C 16 59.486 59.486 59.936 -0.450 25474
934 1 14 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.533 -5.901 25474
935 1 14 . 1 1 16 16 VAL H H 16 7.743 7.743 8.658 -0.915 25474
936 1 14 . 1 1 17 17 GLY N N 17 110.355 110.355 111.240 -0.885 25474
937 1 14 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.701 -1.921 25474
938 1 14 . 1 1 17 17 GLY H H 17 8.001 8.001 8.559 -0.558 25474
939 1 15 . 1 1 2 2 GLY N N 2 111.641 111.641 108.549 3.092 25474
940 1 15 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.432 -1.823 25474
941 1 15 . 1 1 2 2 GLY H H 2 8.943 8.943 8.225 0.718 25474
942 1 15 . 1 1 3 3 GLY N N 3 108.976 108.976 108.825 0.151 25474
943 1 15 . 1 1 3 3 GLY CA C 3 42.733 42.733 45.200 -2.467 25474
944 1 15 . 1 1 3 3 GLY H H 3 8.482 8.482 8.426 0.056 25474
945 1 15 . 1 1 4 4 GLY N N 4 110.406 110.406 109.317 1.089 25474
946 1 15 . 1 1 4 4 GLY CA C 4 43.706 43.706 45.070 -1.364 25474
947 1 15 . 1 1 4 4 GLY H H 4 8.824 8.824 8.263 0.561 25474
948 1 15 . 1 1 5 5 LEU N N 5 122.857 122.857 122.724 0.133 25474
949 1 15 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.699 -0.569 25474
950 1 15 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.190 0.247 25474
951 1 15 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.645 -6.616 25474
952 1 15 . 1 1 5 5 LEU H H 5 8.661 8.661 8.307 0.354 25474
953 1 15 . 1 1 6 6 CYS N N 6 118.749 118.749 121.720 -2.971 25474
954 1 15 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.589 0.053 25474
955 1 15 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.534 0.248 25474
956 1 15 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.303 -3.937 25474
957 1 15 . 1 1 6 6 CYS H H 6 8.313 8.313 8.429 -0.116 25474
958 1 15 . 1 1 7 7 TYR N N 7 120.140 120.140 125.421 -5.281 25474
959 1 15 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.603 -0.370 25474
960 1 15 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.483 -0.662 25474
961 1 15 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.334 -0.640 25474
962 1 15 . 1 1 7 7 TYR H H 7 8.014 8.014 8.501 -0.487 25474
963 1 15 . 1 1 8 8 CYS N N 8 117.450 117.450 122.937 -5.487 25474
964 1 15 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.407 -0.375 25474
965 1 15 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.375 -5.504 25474
966 1 15 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.314 -2.474 25474
967 1 15 . 1 1 8 8 CYS H H 8 8.100 8.100 8.133 -0.033 25474
968 1 15 . 1 1 9 9 ARG N N 9 120.000 120.000 122.264 -2.264 25474
969 1 15 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.707 -0.772 25474
970 1 15 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.256 2.156 25474
971 1 15 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.556 -6.089 25474
972 1 15 . 1 1 9 9 ARG H H 9 8.331 8.331 8.299 0.032 25474
973 1 15 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.013 0.023 25474
974 1 15 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.403 -2.807 25474
975 1 15 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.233 -1.758 25474
976 1 15 . 1 1 10 10 ARG H H 10 7.900 7.900 8.698 -0.798 25474
977 1 15 . 1 1 11 11 ARG N N 11 117.419 117.419 122.458 -5.039 25474
978 1 15 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.629 -0.635 25474
979 1 15 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.951 -1.604 25474
980 1 15 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.127 -2.651 25474
981 1 15 . 1 1 11 11 ARG H H 11 7.957 7.957 8.745 -0.788 25474
982 1 15 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.720 -0.372 25474
983 1 15 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.196 1.296 25474
984 1 15 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.200 -3.218 25474
985 1 15 . 1 1 12 12 PHE H H 12 8.138 8.138 8.185 -0.047 25474
986 1 15 . 1 1 13 13 CYS N N 13 119.944 119.944 125.119 -5.175 25474
987 1 15 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.386 -0.231 25474
988 1 15 . 1 1 13 13 CYS CB C 13 24.426 24.426 28.764 -4.338 25474
989 1 15 . 1 1 13 13 CYS H H 13 8.047 8.047 8.462 -0.415 25474
990 1 15 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.501 -0.569 25474
991 1 15 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.284 -1.230 25474
992 1 15 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.619 -4.759 25474
993 1 15 . 1 1 14 14 VAL H H 14 7.836 7.836 8.311 -0.475 25474
994 1 15 . 1 1 15 15 CYS N N 15 117.212 117.212 125.677 -8.465 25474
995 1 15 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.803 -0.528 25474
996 1 15 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.197 -0.341 25474
997 1 15 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.385 -5.198 25474
998 1 15 . 1 1 15 15 CYS H H 15 8.045 8.045 8.279 -0.234 25474
999 1 15 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.614 -0.539 25474
1000 1 15 . 1 1 16 16 VAL CA C 16 59.486 59.486 59.658 -0.172 25474
1001 1 15 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.073 -5.441 25474
1002 1 15 . 1 1 16 16 VAL H H 16 7.743 7.743 8.850 -1.107 25474
1003 1 15 . 1 1 17 17 GLY N N 17 110.355 110.355 110.796 -0.441 25474
1004 1 15 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.355 -1.575 25474
1005 1 15 . 1 1 17 17 GLY H H 17 8.001 8.001 8.537 -0.536 25474
1006 1 16 . 1 1 2 2 GLY N N 2 111.641 111.641 108.375 3.266 25474
1007 1 16 . 1 1 2 2 GLY CA C 2 42.609 42.609 45.062 -2.454 25474
1008 1 16 . 1 1 2 2 GLY H H 2 8.943 8.943 8.611 0.332 25474
1009 1 16 . 1 1 3 3 GLY N N 3 108.976 108.976 108.087 0.889 25474
1010 1 16 . 1 1 3 3 GLY CA C 3 42.733 42.733 45.806 -3.073 25474
1011 1 16 . 1 1 3 3 GLY H H 3 8.482 8.482 8.466 0.016 25474
1012 1 16 . 1 1 4 4 GLY N N 4 110.406 110.406 108.381 2.025 25474
1013 1 16 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.663 -0.957 25474
1014 1 16 . 1 1 4 4 GLY H H 4 8.824 8.824 7.982 0.842 25474
1015 1 16 . 1 1 5 5 LEU N N 5 122.857 122.857 121.287 1.570 25474
1016 1 16 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.857 -0.727 25474
1017 1 16 . 1 1 5 5 LEU CA C 5 54.437 54.437 53.967 0.470 25474
1018 1 16 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.505 -7.476 25474
1019 1 16 . 1 1 5 5 LEU H H 5 8.661 8.661 8.967 -0.306 25474
1020 1 16 . 1 1 6 6 CYS N N 6 118.749 118.749 122.201 -3.452 25474
1021 1 16 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.964 -0.322 25474
1022 1 16 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.219 0.563 25474
1023 1 16 . 1 1 6 6 CYS CB C 6 24.366 24.366 27.816 -3.450 25474
1024 1 16 . 1 1 6 6 CYS H H 6 8.313 8.313 8.606 -0.293 25474
1025 1 16 . 1 1 7 7 TYR N N 7 120.140 120.140 126.567 -6.427 25474
1026 1 16 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.658 -0.425 25474
1027 1 16 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.000 -0.179 25474
1028 1 16 . 1 1 7 7 TYR CB C 7 40.694 40.694 42.153 -1.459 25474
1029 1 16 . 1 1 7 7 TYR H H 7 8.014 8.014 8.541 -0.527 25474
1030 1 16 . 1 1 8 8 CYS N N 8 117.450 117.450 123.346 -5.896 25474
1031 1 16 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.465 -0.433 25474
1032 1 16 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.299 -5.428 25474
1033 1 16 . 1 1 8 8 CYS CB C 8 24.840 24.840 26.938 -2.098 25474
1034 1 16 . 1 1 8 8 CYS H H 8 8.100 8.100 8.288 -0.188 25474
1035 1 16 . 1 1 9 9 ARG N N 9 120.000 120.000 122.973 -2.973 25474
1036 1 16 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.712 -0.777 25474
1037 1 16 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.120 2.292 25474
1038 1 16 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.376 -5.909 25474
1039 1 16 . 1 1 9 9 ARG H H 9 8.331 8.331 8.421 -0.090 25474
1040 1 16 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.993 0.043 25474
1041 1 16 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.381 -2.785 25474
1042 1 16 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.331 -1.856 25474
1043 1 16 . 1 1 10 10 ARG H H 10 7.900 7.900 8.667 -0.767 25474
1044 1 16 . 1 1 11 11 ARG N N 11 117.419 117.419 122.945 -5.526 25474
1045 1 16 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.636 -0.642 25474
1046 1 16 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.957 -1.610 25474
1047 1 16 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.525 -3.050 25474
1048 1 16 . 1 1 11 11 ARG H H 11 7.957 7.957 8.706 -0.749 25474
1049 1 16 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.747 -0.399 25474
1050 1 16 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.280 1.211 25474
1051 1 16 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.406 -3.424 25474
1052 1 16 . 1 1 12 12 PHE H H 12 8.138 8.138 8.105 0.033 25474
1053 1 16 . 1 1 13 13 CYS N N 13 119.944 119.944 123.167 -3.223 25474
1054 1 16 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.483 -0.328 25474
1055 1 16 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.367 -4.941 25474
1056 1 16 . 1 1 13 13 CYS H H 13 8.047 8.047 8.427 -0.380 25474
1057 1 16 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.591 -0.659 25474
1058 1 16 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.086 -1.032 25474
1059 1 16 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.623 -4.763 25474
1060 1 16 . 1 1 14 14 VAL H H 14 7.836 7.836 8.429 -0.593 25474
1061 1 16 . 1 1 15 15 CYS N N 15 117.212 117.212 125.177 -7.965 25474
1062 1 16 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.034 -0.759 25474
1063 1 16 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.214 -0.358 25474
1064 1 16 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.436 -5.249 25474
1065 1 16 . 1 1 15 15 CYS H H 15 8.045 8.045 8.259 -0.214 25474
1066 1 16 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.658 -0.583 25474
1067 1 16 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.783 -1.297 25474
1068 1 16 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.236 -5.604 25474
1069 1 16 . 1 1 16 16 VAL H H 16 7.743 7.743 9.250 -1.507 25474
1070 1 16 . 1 1 17 17 GLY N N 17 110.355 110.355 112.749 -2.394 25474
1071 1 16 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.564 -1.784 25474
1072 1 16 . 1 1 17 17 GLY H H 17 8.001 8.001 8.539 -0.538 25474
1073 1 17 . 1 1 2 2 GLY N N 2 111.641 111.641 107.130 4.511 25474
1074 1 17 . 1 1 2 2 GLY CA C 2 42.609 42.609 45.219 -2.611 25474
1075 1 17 . 1 1 2 2 GLY H H 2 8.943 8.943 9.931 -0.988 25474
1076 1 17 . 1 1 3 3 GLY N N 3 108.976 108.976 107.659 1.317 25474
1077 1 17 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.812 -2.079 25474
1078 1 17 . 1 1 3 3 GLY H H 3 8.482 8.482 8.321 0.161 25474
1079 1 17 . 1 1 4 4 GLY N N 4 110.406 110.406 107.926 2.480 25474
1080 1 17 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.979 -1.273 25474
1081 1 17 . 1 1 4 4 GLY H H 4 8.824 8.824 8.435 0.389 25474
1082 1 17 . 1 1 5 5 LEU N N 5 122.857 122.857 123.676 -0.819 25474
1083 1 17 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.756 -0.626 25474
1084 1 17 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.485 -0.048 25474
1085 1 17 . 1 1 5 5 LEU CB C 5 39.029 39.029 47.024 -7.995 25474
1086 1 17 . 1 1 5 5 LEU H H 5 8.661 8.661 8.999 -0.338 25474
1087 1 17 . 1 1 6 6 CYS N N 6 118.749 118.749 122.129 -3.380 25474
1088 1 17 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.778 -0.136 25474
1089 1 17 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.415 0.367 25474
1090 1 17 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.070 -3.704 25474
1091 1 17 . 1 1 6 6 CYS H H 6 8.313 8.313 8.530 -0.217 25474
1092 1 17 . 1 1 7 7 TYR N N 7 120.140 120.140 125.878 -5.738 25474
1093 1 17 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.614 -0.381 25474
1094 1 17 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.473 -0.652 25474
1095 1 17 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.370 -0.676 25474
1096 1 17 . 1 1 7 7 TYR H H 7 8.014 8.014 8.598 -0.584 25474
1097 1 17 . 1 1 8 8 CYS N N 8 117.450 117.450 122.820 -5.370 25474
1098 1 17 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.354 -0.322 25474
1099 1 17 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.184 -5.313 25474
1100 1 17 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.170 -2.330 25474
1101 1 17 . 1 1 8 8 CYS H H 8 8.100 8.100 7.928 0.172 25474
1102 1 17 . 1 1 9 9 ARG N N 9 120.000 120.000 122.392 -2.392 25474
1103 1 17 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.695 -0.760 25474
1104 1 17 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.781 1.631 25474
1105 1 17 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.594 -6.127 25474
1106 1 17 . 1 1 9 9 ARG H H 9 8.331 8.331 8.468 -0.137 25474
1107 1 17 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.997 0.039 25474
1108 1 17 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.389 -2.793 25474
1109 1 17 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.326 -1.851 25474
1110 1 17 . 1 1 10 10 ARG H H 10 7.900 7.900 8.720 -0.820 25474
1111 1 17 . 1 1 11 11 ARG N N 11 117.419 117.419 122.922 -5.503 25474
1112 1 17 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.618 -0.624 25474
1113 1 17 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.969 -1.622 25474
1114 1 17 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.500 -3.025 25474
1115 1 17 . 1 1 11 11 ARG H H 11 7.957 7.957 8.705 -0.748 25474
1116 1 17 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.712 -0.364 25474
1117 1 17 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.250 1.241 25474
1118 1 17 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.238 -3.256 25474
1119 1 17 . 1 1 12 12 PHE H H 12 8.138 8.138 8.126 0.012 25474
1120 1 17 . 1 1 13 13 CYS N N 13 119.944 119.944 124.795 -4.851 25474
1121 1 17 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.421 -0.266 25474
1122 1 17 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.041 -4.615 25474
1123 1 17 . 1 1 13 13 CYS H H 13 8.047 8.047 8.458 -0.411 25474
1124 1 17 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.528 -0.596 25474
1125 1 17 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.120 -1.067 25474
1126 1 17 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.533 -4.673 25474
1127 1 17 . 1 1 14 14 VAL H H 14 7.836 7.836 8.361 -0.525 25474
1128 1 17 . 1 1 15 15 CYS N N 15 117.212 117.212 124.476 -7.264 25474
1129 1 17 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.968 -0.693 25474
1130 1 17 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.225 -0.369 25474
1131 1 17 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.131 -4.944 25474
1132 1 17 . 1 1 15 15 CYS H H 15 8.045 8.045 8.230 -0.185 25474
1133 1 17 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.567 -0.492 25474
1134 1 17 . 1 1 16 16 VAL CA C 16 59.486 59.486 61.335 -1.849 25474
1135 1 17 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.398 -5.766 25474
1136 1 17 . 1 1 16 16 VAL H H 16 7.743 7.743 9.124 -1.381 25474
1137 1 17 . 1 1 17 17 GLY N N 17 110.355 110.355 112.029 -1.674 25474
1138 1 17 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.329 -1.549 25474
1139 1 17 . 1 1 17 17 GLY H H 17 8.001 8.001 8.366 -0.365 25474
1140 1 18 . 1 1 2 2 GLY N N 2 111.641 111.641 109.226 2.415 25474
1141 1 18 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.831 -2.222 25474
1142 1 18 . 1 1 2 2 GLY H H 2 8.943 8.943 8.206 0.737 25474
1143 1 18 . 1 1 3 3 GLY N N 3 108.976 108.976 107.394 1.582 25474
1144 1 18 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.783 -2.050 25474
1145 1 18 . 1 1 3 3 GLY H H 3 8.482 8.482 8.337 0.145 25474
1146 1 18 . 1 1 4 4 GLY N N 4 110.406 110.406 111.966 -1.560 25474
1147 1 18 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.788 -1.083 25474
1148 1 18 . 1 1 4 4 GLY H H 4 8.824 8.824 8.286 0.538 25474
1149 1 18 . 1 1 5 5 LEU N N 5 122.857 122.857 121.747 1.110 25474
1150 1 18 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.856 -0.726 25474
1151 1 18 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.431 0.006 25474
1152 1 18 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.728 -7.699 25474
1153 1 18 . 1 1 5 5 LEU H H 5 8.661 8.661 8.827 -0.166 25474
1154 1 18 . 1 1 6 6 CYS N N 6 118.749 118.749 121.899 -3.150 25474
1155 1 18 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.744 -0.102 25474
1156 1 18 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.499 0.283 25474
1157 1 18 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.209 -3.843 25474
1158 1 18 . 1 1 6 6 CYS H H 6 8.313 8.313 8.516 -0.203 25474
1159 1 18 . 1 1 7 7 TYR N N 7 120.140 120.140 125.728 -5.588 25474
1160 1 18 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.612 -0.379 25474
1161 1 18 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.665 -0.844 25474
1162 1 18 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.245 -0.551 25474
1163 1 18 . 1 1 7 7 TYR H H 7 8.014 8.014 8.613 -0.599 25474
1164 1 18 . 1 1 8 8 CYS N N 8 117.450 117.450 123.582 -6.132 25474
1165 1 18 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.489 -0.457 25474
1166 1 18 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.136 -5.265 25474
1167 1 18 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.329 -2.489 25474
1168 1 18 . 1 1 8 8 CYS H H 8 8.100 8.100 8.348 -0.248 25474
1169 1 18 . 1 1 9 9 ARG N N 9 120.000 120.000 123.547 -3.547 25474
1170 1 18 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.713 -0.778 25474
1171 1 18 . 1 1 9 9 ARG CA C 9 56.412 56.412 55.197 1.215 25474
1172 1 18 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.490 -6.024 25474
1173 1 18 . 1 1 9 9 ARG H H 9 8.331 8.331 8.149 0.182 25474
1174 1 18 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.077 -0.041 25474
1175 1 18 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.342 -2.746 25474
1176 1 18 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.544 -2.070 25474
1177 1 18 . 1 1 10 10 ARG H H 10 7.900 7.900 8.682 -0.782 25474
1178 1 18 . 1 1 11 11 ARG N N 11 117.419 117.419 122.739 -5.320 25474
1179 1 18 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.630 -0.636 25474
1180 1 18 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.948 -1.601 25474
1181 1 18 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.568 -3.093 25474
1182 1 18 . 1 1 11 11 ARG H H 11 7.957 7.957 8.753 -0.796 25474
1183 1 18 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.702 -0.354 25474
1184 1 18 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.365 1.126 25474
1185 1 18 . 1 1 12 12 PHE CB C 12 36.982 36.982 39.960 -2.978 25474
1186 1 18 . 1 1 12 12 PHE H H 12 8.138 8.138 8.125 0.013 25474
1187 1 18 . 1 1 13 13 CYS N N 13 119.944 119.944 125.109 -5.165 25474
1188 1 18 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.501 -0.346 25474
1189 1 18 . 1 1 13 13 CYS CB C 13 24.426 24.426 28.724 -4.298 25474
1190 1 18 . 1 1 13 13 CYS H H 13 8.047 8.047 8.485 -0.438 25474
1191 1 18 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.573 -0.641 25474
1192 1 18 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.175 -1.121 25474
1193 1 18 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.644 -4.784 25474
1194 1 18 . 1 1 14 14 VAL H H 14 7.836 7.836 8.409 -0.573 25474
1195 1 18 . 1 1 15 15 CYS N N 15 117.212 117.212 125.228 -8.016 25474
1196 1 18 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.941 -0.666 25474
1197 1 18 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.334 -0.478 25474
1198 1 18 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.399 -5.212 25474
1199 1 18 . 1 1 15 15 CYS H H 15 8.045 8.045 8.241 -0.196 25474
1200 1 18 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.671 -0.596 25474
1201 1 18 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.714 -1.228 25474
1202 1 18 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.267 -5.635 25474
1203 1 18 . 1 1 16 16 VAL H H 16 7.743 7.743 9.091 -1.348 25474
1204 1 18 . 1 1 17 17 GLY N N 17 110.355 110.355 111.909 -1.554 25474
1205 1 18 . 1 1 17 17 GLY CA C 17 42.780 42.780 45.113 -2.333 25474
1206 1 18 . 1 1 17 17 GLY H H 17 8.001 8.001 8.480 -0.479 25474
1207 1 19 . 1 1 2 2 GLY N N 2 111.641 111.641 110.486 1.155 25474
1208 1 19 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.339 -1.730 25474
1209 1 19 . 1 1 2 2 GLY H H 2 8.943 8.943 8.388 0.555 25474
1210 1 19 . 1 1 3 3 GLY N N 3 108.976 108.976 107.511 1.465 25474
1211 1 19 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.950 -2.217 25474
1212 1 19 . 1 1 3 3 GLY H H 3 8.482 8.482 8.299 0.183 25474
1213 1 19 . 1 1 4 4 GLY N N 4 110.406 110.406 110.511 -0.105 25474
1214 1 19 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.732 -1.026 25474
1215 1 19 . 1 1 4 4 GLY H H 4 8.824 8.824 8.103 0.721 25474
1216 1 19 . 1 1 5 5 LEU N N 5 122.857 122.857 121.492 1.365 25474
1217 1 19 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.851 -0.721 25474
1218 1 19 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.148 0.289 25474
1219 1 19 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.816 -7.787 25474
1220 1 19 . 1 1 5 5 LEU H H 5 8.661 8.661 8.992 -0.331 25474
1221 1 19 . 1 1 6 6 CYS N N 6 118.749 118.749 122.108 -3.359 25474
1222 1 19 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.944 -0.302 25474
1223 1 19 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.424 0.358 25474
1224 1 19 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.265 -3.899 25474
1225 1 19 . 1 1 6 6 CYS H H 6 8.313 8.313 8.531 -0.218 25474
1226 1 19 . 1 1 7 7 TYR N N 7 120.140 120.140 125.958 -5.818 25474
1227 1 19 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.619 -0.386 25474
1228 1 19 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.604 -0.783 25474
1229 1 19 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.252 -0.558 25474
1230 1 19 . 1 1 7 7 TYR H H 7 8.014 8.014 8.642 -0.628 25474
1231 1 19 . 1 1 8 8 CYS N N 8 117.450 117.450 123.551 -6.101 25474
1232 1 19 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.520 -0.488 25474
1233 1 19 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.207 -5.336 25474
1234 1 19 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.002 -2.162 25474
1235 1 19 . 1 1 8 8 CYS H H 8 8.100 8.100 8.280 -0.180 25474
1236 1 19 . 1 1 9 9 ARG N N 9 120.000 120.000 123.035 -3.035 25474
1237 1 19 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.713 -0.778 25474
1238 1 19 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.098 2.314 25474
1239 1 19 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.500 -6.033 25474
1240 1 19 . 1 1 9 9 ARG H H 9 8.331 8.331 8.344 -0.013 25474
1241 1 19 . 1 1 10 10 ARG HA H 10 4.036 4.036 3.988 0.048 25474
1242 1 19 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.343 -2.747 25474
1243 1 19 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.306 -1.831 25474
1244 1 19 . 1 1 10 10 ARG H H 10 7.900 7.900 8.656 -0.756 25474
1245 1 19 . 1 1 11 11 ARG N N 11 117.419 117.419 122.723 -5.304 25474
1246 1 19 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.635 -0.641 25474
1247 1 19 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.983 -1.636 25474
1248 1 19 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.559 -3.084 25474
1249 1 19 . 1 1 11 11 ARG H H 11 7.957 7.957 8.710 -0.753 25474
1250 1 19 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.757 -0.409 25474
1251 1 19 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.302 1.189 25474
1252 1 19 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.439 -3.457 25474
1253 1 19 . 1 1 12 12 PHE H H 12 8.138 8.138 8.118 0.020 25474
1254 1 19 . 1 1 13 13 CYS N N 13 119.944 119.944 123.952 -4.008 25474
1255 1 19 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.579 -0.424 25474
1256 1 19 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.326 -4.900 25474
1257 1 19 . 1 1 13 13 CYS H H 13 8.047 8.047 8.488 -0.441 25474
1258 1 19 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.620 -0.688 25474
1259 1 19 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.109 -1.056 25474
1260 1 19 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.657 -4.797 25474
1261 1 19 . 1 1 14 14 VAL H H 14 7.836 7.836 8.476 -0.640 25474
1262 1 19 . 1 1 15 15 CYS N N 15 117.212 117.212 125.087 -7.875 25474
1263 1 19 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.031 -0.756 25474
1264 1 19 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.175 -0.319 25474
1265 1 19 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.447 -5.260 25474
1266 1 19 . 1 1 15 15 CYS H H 15 8.045 8.045 8.257 -0.212 25474
1267 1 19 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.595 -0.520 25474
1268 1 19 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.991 -1.505 25474
1269 1 19 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.046 -5.414 25474
1270 1 19 . 1 1 16 16 VAL H H 16 7.743 7.743 9.249 -1.506 25474
1271 1 19 . 1 1 17 17 GLY N N 17 110.355 110.355 113.296 -2.941 25474
1272 1 19 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.612 -1.832 25474
1273 1 19 . 1 1 17 17 GLY H H 17 8.001 8.001 8.425 -0.424 25474
1274 1 20 . 1 1 2 2 GLY N N 2 111.641 111.641 108.363 3.278 25474
1275 1 20 . 1 1 2 2 GLY CA C 2 42.609 42.609 45.132 -2.523 25474
1276 1 20 . 1 1 2 2 GLY H H 2 8.943 8.943 9.020 -0.077 25474
1277 1 20 . 1 1 3 3 GLY N N 3 108.976 108.976 107.702 1.274 25474
1278 1 20 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.855 -2.122 25474
1279 1 20 . 1 1 3 3 GLY H H 3 8.482 8.482 8.372 0.110 25474
1280 1 20 . 1 1 4 4 GLY N N 4 110.406 110.406 107.201 3.205 25474
1281 1 20 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.600 -0.894 25474
1282 1 20 . 1 1 4 4 GLY H H 4 8.824 8.824 8.255 0.569 25474
1283 1 20 . 1 1 5 5 LEU N N 5 122.857 122.857 122.569 0.288 25474
1284 1 20 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.786 -0.656 25474
1285 1 20 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.058 0.379 25474
1286 1 20 . 1 1 5 5 LEU CB C 5 39.029 39.029 46.466 -7.437 25474
1287 1 20 . 1 1 5 5 LEU H H 5 8.661 8.661 9.046 -0.385 25474
1288 1 20 . 1 1 6 6 CYS N N 6 118.749 118.749 122.073 -3.324 25474
1289 1 20 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.854 -0.212 25474
1290 1 20 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.492 0.290 25474
1291 1 20 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.199 -3.833 25474
1292 1 20 . 1 1 6 6 CYS H H 6 8.313 8.313 8.503 -0.190 25474
1293 1 20 . 1 1 7 7 TYR N N 7 120.140 120.140 125.856 -5.716 25474
1294 1 20 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.614 -0.381 25474
1295 1 20 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.581 -0.760 25474
1296 1 20 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.213 -0.519 25474
1297 1 20 . 1 1 7 7 TYR H H 7 8.014 8.014 8.602 -0.588 25474
1298 1 20 . 1 1 8 8 CYS N N 8 117.450 117.450 123.751 -6.301 25474
1299 1 20 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.564 -0.532 25474
1300 1 20 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.195 -5.324 25474
1301 1 20 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.190 -2.350 25474
1302 1 20 . 1 1 8 8 CYS H H 8 8.100 8.100 8.354 -0.254 25474
1303 1 20 . 1 1 9 9 ARG N N 9 120.000 120.000 123.269 -3.269 25474
1304 1 20 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.702 -0.767 25474
1305 1 20 . 1 1 9 9 ARG CA C 9 56.412 56.412 55.066 1.346 25474
1306 1 20 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.735 -6.268 25474
1307 1 20 . 1 1 9 9 ARG H H 9 8.331 8.331 8.395 -0.064 25474
1308 1 20 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.022 0.014 25474
1309 1 20 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.416 -2.820 25474
1310 1 20 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.273 -1.798 25474
1311 1 20 . 1 1 10 10 ARG H H 10 7.900 7.900 8.777 -0.877 25474
1312 1 20 . 1 1 11 11 ARG N N 11 117.419 117.419 122.824 -5.405 25474
1313 1 20 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.646 -0.652 25474
1314 1 20 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.956 -1.609 25474
1315 1 20 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.562 -3.087 25474
1316 1 20 . 1 1 11 11 ARG H H 11 7.957 7.957 8.724 -0.767 25474
1317 1 20 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.744 -0.396 25474
1318 1 20 . 1 1 12 12 PHE CA C 12 58.491 58.491 57.290 1.201 25474
1319 1 20 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.312 -3.330 25474
1320 1 20 . 1 1 12 12 PHE H H 12 8.138 8.138 8.172 -0.034 25474
1321 1 20 . 1 1 13 13 CYS N N 13 119.944 119.944 123.868 -3.924 25474
1322 1 20 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.564 -0.409 25474
1323 1 20 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.261 -4.835 25474
1324 1 20 . 1 1 13 13 CYS H H 13 8.047 8.047 8.427 -0.380 25474
1325 1 20 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.572 -0.640 25474
1326 1 20 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.178 -1.124 25474
1327 1 20 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.622 -4.762 25474
1328 1 20 . 1 1 14 14 VAL H H 14 7.836 7.836 8.412 -0.576 25474
1329 1 20 . 1 1 15 15 CYS N N 15 117.212 117.212 125.599 -8.387 25474
1330 1 20 . 1 1 15 15 CYS HA H 15 4.275 4.275 4.927 -0.652 25474
1331 1 20 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.249 -0.393 25474
1332 1 20 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.603 -5.416 25474
1333 1 20 . 1 1 15 15 CYS H H 15 8.045 8.045 8.259 -0.214 25474
1334 1 20 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.617 -0.542 25474
1335 1 20 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.308 -0.822 25474
1336 1 20 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.140 -5.508 25474
1337 1 20 . 1 1 16 16 VAL H H 16 7.743 7.743 9.193 -1.450 25474
1338 1 20 . 1 1 17 17 GLY N N 17 110.355 110.355 111.462 -1.107 25474
1339 1 20 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.943 -2.163 25474
1340 1 20 . 1 1 17 17 GLY H H 17 8.001 8.001 8.360 -0.359 25474
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 12 4.209 2.095 3.813 25474
2 1 1 "Average Difference" HA 20 0.448 0.318 0.324 25474
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25474
4 1 1 "Average Difference" CA 16 1.908 0.993 1.682 25474
5 1 1 "Average Difference" CB 12 4.578 4.155 2.007 25474
6 1 1 "Average Difference" HN 16 0.508 0.186 0.488 25474
7 1 2 "Average Difference" N 12 4.712 2.487 4.181 25474
8 1 2 "Average Difference" HA 20 0.556 0.468 0.308 25474
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25474
10 1 2 "Average Difference" CA 16 1.950 0.993 1.734 25474
11 1 2 "Average Difference" CB 12 4.286 3.910 1.833 25474
12 1 2 "Average Difference" HN 16 0.549 0.314 0.466 25474
13 1 3 "Average Difference" N 12 4.057 2.099 3.626 25474
14 1 3 "Average Difference" HA 20 0.401 0.251 0.321 25474
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25474
16 1 3 "Average Difference" CA 16 1.930 1.017 1.694 25474
17 1 3 "Average Difference" CB 12 4.396 4.038 1.815 25474
18 1 3 "Average Difference" HN 16 0.508 0.189 0.487 25474
19 1 4 "Average Difference" N 12 4.428 2.254 3.981 25474
20 1 4 "Average Difference" HA 20 0.501 0.373 0.343 25474
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25474
22 1 4 "Average Difference" CA 16 1.981 0.968 1.785 25474
23 1 4 "Average Difference" CB 12 4.365 3.982 1.866 25474
24 1 4 "Average Difference" HN 16 0.588 0.234 0.557 25474
25 1 5 "Average Difference" N 12 4.444 2.690 3.695 25474
26 1 5 "Average Difference" HA 20 0.495 0.387 0.317 25474
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25474
28 1 5 "Average Difference" CA 16 1.981 1.025 1.751 25474
29 1 5 "Average Difference" CB 12 4.363 3.985 1.855 25474
30 1 5 "Average Difference" HN 16 0.588 0.263 0.543 25474
31 1 6 "Average Difference" N 12 4.343 2.950 3.329 25474
32 1 6 "Average Difference" HA 20 0.436 0.319 0.306 25474
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25474
34 1 6 "Average Difference" CA 16 1.987 1.005 1.771 25474
35 1 6 "Average Difference" CB 12 4.301 3.922 1.844 25474
36 1 6 "Average Difference" HN 16 0.590 0.240 0.557 25474
37 1 7 "Average Difference" N 12 4.173 2.499 3.490 25474
38 1 7 "Average Difference" HA 20 0.477 0.372 0.307 25474
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25474
40 1 7 "Average Difference" CA 16 1.937 0.947 1.745 25474
41 1 7 "Average Difference" CB 12 4.442 4.082 1.830 25474
42 1 7 "Average Difference" HN 16 0.518 0.307 0.431 25474
43 1 8 "Average Difference" N 12 4.482 2.505 3.882 25474
44 1 8 "Average Difference" HA 20 0.562 0.393 0.411 25474
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25474
46 1 8 "Average Difference" CA 16 1.906 1.037 1.652 25474
47 1 8 "Average Difference" CB 12 4.337 3.974 1.813 25474
48 1 8 "Average Difference" HN 16 0.538 0.250 0.493 25474
49 1 9 "Average Difference" N 12 4.153 2.359 3.570 25474
50 1 9 "Average Difference" HA 20 0.404 0.320 0.253 25474
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25474
52 1 9 "Average Difference" CA 16 2.012 1.039 1.780 25474
53 1 9 "Average Difference" CB 12 4.272 3.963 1.666 25474
54 1 9 "Average Difference" HN 16 0.498 0.227 0.458 25474
55 1 10 "Average Difference" N 12 4.408 2.799 3.556 25474
56 1 10 "Average Difference" HA 20 0.482 0.360 0.329 25474
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25474
58 1 10 "Average Difference" CA 16 2.025 1.031 1.800 25474
59 1 10 "Average Difference" CB 12 4.514 4.112 1.945 25474
60 1 10 "Average Difference" HN 16 0.553 0.251 0.508 25474
61 1 11 "Average Difference" N 12 4.250 2.477 3.607 25474
62 1 11 "Average Difference" HA 20 0.453 0.355 0.288 25474
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25474
64 1 11 "Average Difference" CA 16 2.023 1.168 1.706 25474
65 1 11 "Average Difference" CB 12 4.590 4.189 1.960 25474
66 1 11 "Average Difference" HN 16 0.608 0.371 0.497 25474
67 1 12 "Average Difference" N 12 4.277 2.852 3.329 25474
68 1 12 "Average Difference" HA 20 0.414 0.341 0.240 25474
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25474
70 1 12 "Average Difference" CA 16 1.902 1.054 1.635 25474
71 1 12 "Average Difference" CB 12 4.369 3.963 1.922 25474
72 1 12 "Average Difference" HN 16 0.546 0.182 0.532 25474
73 1 13 "Average Difference" N 12 4.349 2.659 3.594 25474
74 1 13 "Average Difference" HA 20 0.502 0.351 0.368 25474
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25474
76 1 13 "Average Difference" CA 16 1.939 1.023 1.701 25474
77 1 13 "Average Difference" CB 12 4.403 4.065 1.767 25474
78 1 13 "Average Difference" HN 16 0.602 0.273 0.554 25474
79 1 14 "Average Difference" N 12 4.463 2.795 3.634 25474
80 1 14 "Average Difference" HA 20 0.451 0.290 0.355 25474
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25474
82 1 14 "Average Difference" CA 16 1.991 1.026 1.763 25474
83 1 14 "Average Difference" CB 12 4.191 3.869 1.681 25474
84 1 14 "Average Difference" HN 16 0.541 0.211 0.515 25474
85 1 15 "Average Difference" N 12 4.151 2.555 3.417 25474
86 1 15 "Average Difference" HA 20 0.408 0.285 0.299 25474
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25474
88 1 15 "Average Difference" CA 16 1.986 0.989 1.778 25474
89 1 15 "Average Difference" CB 12 4.296 3.927 1.820 25474
90 1 15 "Average Difference" HN 16 0.527 0.207 0.500 25474
91 1 16 "Average Difference" N 12 4.330 2.509 3.686 25474
92 1 16 "Average Difference" HA 20 0.458 0.392 0.243 25474
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25474
94 1 16 "Average Difference" CA 16 2.086 1.046 1.864 25474
95 1 16 "Average Difference" CB 12 4.470 4.107 1.844 25474
96 1 16 "Average Difference" HN 16 0.590 0.308 0.520 25474
97 1 17 "Average Difference" N 12 4.254 2.390 3.676 25474
98 1 17 "Average Difference" HA 20 0.460 0.364 0.289 25474
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25474
100 1 17 "Average Difference" CA 16 1.990 1.142 1.683 25474
101 1 17 "Average Difference" CB 12 4.519 4.080 2.029 25474
102 1 17 "Average Difference" HN 16 0.584 0.373 0.464 25474
103 1 18 "Average Difference" N 12 4.330 2.910 3.348 25474
104 1 18 "Average Difference" HA 20 0.444 0.354 0.275 25474
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25474
106 1 18 "Average Difference" CA 16 1.941 1.171 1.598 25474
107 1 18 "Average Difference" CB 12 4.471 4.056 1.963 25474
108 1 18 "Average Difference" HN 16 0.571 0.263 0.524 25474
109 1 19 "Average Difference" N 12 4.201 2.880 3.194 25474
110 1 19 "Average Difference" HA 20 0.477 0.379 0.298 25474
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25474
112 1 19 "Average Difference" CA 16 1.972 1.023 1.741 25474
113 1 19 "Average Difference" CB 12 4.528 4.098 2.011 25474
114 1 19 "Average Difference" HN 16 0.596 0.289 0.538 25474
115 1 20 "Average Difference" N 12 4.407 2.449 3.826 25474
116 1 20 "Average Difference" HA 20 0.519 0.473 0.219 25474
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25474
118 1 20 "Average Difference" CA 16 1.960 1.104 1.673 25474
119 1 20 "Average Difference" CB 12 4.515 4.095 1.986 25474
120 1 20 "Average Difference" HN 16 0.562 0.346 0.457 25474
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 25474
_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 GLY N N 2 111.641 111.641 108.792 2.849 25474
2 1 . 1 1 2 2 GLY CA C 2 42.609 42.609 44.769 -2.160 25474
3 1 . 1 1 2 2 GLY H H 2 8.943 8.943 8.641 0.302 25474
4 1 . 1 1 3 3 GLY N N 3 108.976 108.976 108.382 0.594 25474
5 1 . 1 1 3 3 GLY CA C 3 42.733 42.733 44.918 -2.185 25474
6 1 . 1 1 3 3 GLY H H 3 8.482 8.482 8.365 0.117 25474
7 1 . 1 1 4 4 GLY N N 4 110.406 110.406 108.788 1.618 25474
8 1 . 1 1 4 4 GLY CA C 4 43.706 43.706 44.818 -1.112 25474
9 1 . 1 1 4 4 GLY H H 4 8.824 8.824 8.137 0.687 25474
10 1 . 1 1 5 5 LEU N N 5 122.857 122.857 121.777 1.080 25474
11 1 . 1 1 5 5 LEU HA H 5 4.130 4.130 4.790 -0.660 25474
12 1 . 1 1 5 5 LEU CA C 5 54.437 54.437 54.104 0.333 25474
13 1 . 1 1 5 5 LEU CB C 5 39.029 39.029 45.977 -6.948 25474
14 1 . 1 1 5 5 LEU H H 5 8.661 8.661 8.675 -0.014 25474
15 1 . 1 1 6 6 CYS N N 6 118.749 118.749 121.928 -3.179 25474
16 1 . 1 1 6 6 CYS HA H 6 4.642 4.642 4.713 -0.071 25474
17 1 . 1 1 6 6 CYS CA C 6 58.782 58.782 58.442 0.340 25474
18 1 . 1 1 6 6 CYS CB C 6 24.366 24.366 28.183 -3.817 25474
19 1 . 1 1 6 6 CYS H H 6 8.313 8.313 8.471 -0.158 25474
20 1 . 1 1 7 7 TYR N N 7 120.140 120.140 125.733 -5.593 25474
21 1 . 1 1 7 7 TYR HA H 7 4.233 4.233 4.614 -0.381 25474
22 1 . 1 1 7 7 TYR CA C 7 57.821 57.821 58.504 -0.683 25474
23 1 . 1 1 7 7 TYR CB C 7 40.694 40.694 41.335 -0.641 25474
24 1 . 1 1 7 7 TYR H H 7 8.014 8.014 8.569 -0.555 25474
25 1 . 1 1 8 8 CYS N N 8 117.450 117.450 123.316 -5.866 25474
26 1 . 1 1 8 8 CYS HA H 8 4.032 4.032 4.450 -0.418 25474
27 1 . 1 1 8 8 CYS CA C 8 52.871 52.871 58.205 -5.334 25474
28 1 . 1 1 8 8 CYS CB C 8 24.840 24.840 27.439 -2.599 25474
29 1 . 1 1 8 8 CYS H H 8 8.100 8.100 8.155 -0.055 25474
30 1 . 1 1 9 9 ARG N N 9 120.000 120.000 122.442 -2.442 25474
31 1 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.698 -0.763 25474
32 1 . 1 1 9 9 ARG CA C 9 56.412 56.412 54.507 1.905 25474
33 1 . 1 1 9 9 ARG CB C 9 27.467 27.467 33.566 -6.099 25474
34 1 . 1 1 9 9 ARG H H 9 8.331 8.331 8.355 -0.024 25474
35 1 . 1 1 10 10 ARG HA H 10 4.036 4.036 4.008 0.028 25474
36 1 . 1 1 10 10 ARG CA C 10 55.596 55.596 58.370 -2.774 25474
37 1 . 1 1 10 10 ARG CB C 10 27.475 27.475 29.304 -1.829 25474
38 1 . 1 1 10 10 ARG H H 10 7.900 7.900 8.738 -0.838 25474
39 1 . 1 1 11 11 ARG N N 11 117.419 117.419 122.728 -5.309 25474
40 1 . 1 1 11 11 ARG HA H 11 3.994 3.994 4.622 -0.627 25474
41 1 . 1 1 11 11 ARG CA C 11 54.347 54.347 55.991 -1.644 25474
42 1 . 1 1 11 11 ARG CB C 11 27.475 27.475 30.386 -2.911 25474
43 1 . 1 1 11 11 ARG H H 11 7.957 7.957 8.716 -0.759 25474
44 1 . 1 1 12 12 PHE HA H 12 4.348 4.348 4.733 -0.385 25474
45 1 . 1 1 12 12 PHE CA C 12 115.456 115.456 114.494 0.962 25474
46 1 . 1 1 12 12 PHE CB C 12 36.982 36.982 40.296 -3.314 25474
47 1 . 1 1 12 12 PHE H H 12 8.138 8.138 8.144 -0.006 25474
48 1 . 1 1 13 13 CYS N N 13 119.944 119.944 124.477 -4.533 25474
49 1 . 1 1 13 13 CYS HA H 13 4.155 4.155 4.454 -0.299 25474
50 1 . 1 1 13 13 CYS CB C 13 24.426 24.426 29.082 -4.656 25474
51 1 . 1 1 13 13 CYS H H 13 8.047 8.047 8.463 -0.416 25474
52 1 . 1 1 14 14 VAL HA H 14 3.932 3.932 4.560 -0.628 25474
53 1 . 1 1 14 14 VAL CA C 14 61.054 61.054 62.120 -1.066 25474
54 1 . 1 1 14 14 VAL CB C 14 29.860 29.860 34.617 -4.757 25474
55 1 . 1 1 14 14 VAL H H 14 7.836 7.836 8.409 -0.573 25474
56 1 . 1 1 15 15 CYS N N 15 117.212 117.212 125.678 -8.466 25474
57 1 . 1 1 15 15 CYS HA H 15 4.275 4.275 5.031 -0.756 25474
58 1 . 1 1 15 15 CYS CA C 15 57.856 57.856 58.196 -0.340 25474
59 1 . 1 1 15 15 CYS CB C 15 25.187 25.187 30.357 -5.170 25474
60 1 . 1 1 15 15 CYS H H 15 8.045 8.045 8.268 -0.223 25474
61 1 . 1 1 16 16 VAL HA H 16 4.075 4.075 4.628 -0.553 25474
62 1 . 1 1 16 16 VAL CA C 16 59.486 59.486 60.501 -1.015 25474
63 1 . 1 1 16 16 VAL CB C 16 29.632 29.632 35.237 -5.605 25474
64 1 . 1 1 16 16 VAL H H 16 7.743 7.743 8.971 -1.228 25474
65 1 . 1 1 17 17 GLY N N 17 110.355 110.355 111.839 -1.484 25474
66 1 . 1 1 17 17 GLY CA C 17 42.780 42.780 44.646 -1.866 25474
67 1 . 1 1 17 17 GLY H H 17 8.001 8.001 8.488 -0.487 25474
stop_
save_