data_19102
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19102
_Entry.PDB_ID 2M61
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 19102
_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 CYS HA H 2 4.730 4.730 4.915 -0.185 19102
2 1 1 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.325 -1.895 19102
3 1 1 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.930 14.160 19102
4 1 1 . 1 1 2 2 CYS H H 2 8.810 8.810 8.644 0.166 19102
5 1 1 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.465 -0.065 19102
6 1 1 . 1 1 3 3 ARG CA C 3 55.150 55.150 57.708 -2.558 19102
7 1 1 . 1 1 3 3 ARG CB C 3 30.390 30.390 29.744 0.645 19102
8 1 1 . 1 1 3 3 ARG H H 3 8.930 8.930 8.651 0.279 19102
9 1 1 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.464 -0.144 19102
10 1 1 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.148 -2.338 19102
11 1 1 . 1 1 4 4 LEU CB C 4 41.620 41.620 40.995 0.625 19102
12 1 1 . 1 1 4 4 LEU H H 4 8.000 8.000 7.971 0.029 19102
13 1 1 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
14 1 1 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102
15 1 1 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.361 -0.381 19102
16 1 1 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102
17 1 1 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
18 1 1 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.489 19102
19 1 1 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
20 1 1 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
21 1 1 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.968 -2.648 19102
22 1 1 . 1 1 7 7 GLY H H 7 8.350 8.350 7.687 0.663 19102
23 1 1 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.308 -0.318 19102
24 1 1 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.356 2.054 19102
25 1 1 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.777 -0.057 19102
26 1 1 . 1 1 8 8 LEU H H 8 8.980 8.980 7.780 1.200 19102
27 1 1 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.484 -2.144 19102
28 1 1 . 1 1 9 9 GLY H H 9 8.380 8.380 7.884 0.496 19102
29 1 1 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
30 1 1 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102
31 1 1 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.258 9.982 19102
32 1 1 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
33 1 2 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.864 -0.134 19102
34 1 2 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.539 -2.109 19102
35 1 2 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.940 14.150 19102
36 1 2 . 1 1 2 2 CYS H H 2 8.810 8.810 8.591 0.219 19102
37 1 2 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.439 -0.039 19102
38 1 2 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.135 -2.985 19102
39 1 2 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.291 0.099 19102
40 1 2 . 1 1 3 3 ARG H H 3 8.930 8.930 8.675 0.255 19102
41 1 2 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.427 -0.107 19102
42 1 2 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.349 -2.539 19102
43 1 2 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.317 0.303 19102
44 1 2 . 1 1 4 4 LEU H H 4 8.000 8.000 7.989 0.011 19102
45 1 2 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
46 1 2 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102
47 1 2 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.366 -0.386 19102
48 1 2 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102
49 1 2 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
50 1 2 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102
51 1 2 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
52 1 2 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
53 1 2 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.923 -2.603 19102
54 1 2 . 1 1 7 7 GLY H H 7 8.350 8.350 7.681 0.669 19102
55 1 2 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.314 -0.324 19102
56 1 2 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.293 2.117 19102
57 1 2 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.633 0.087 19102
58 1 2 . 1 1 8 8 LEU H H 8 8.980 8.980 7.781 1.199 19102
59 1 2 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.497 -2.157 19102
60 1 2 . 1 1 9 9 GLY H H 9 8.380 8.380 7.905 0.475 19102
61 1 2 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
62 1 2 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.979 0.691 19102
63 1 2 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
64 1 2 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
65 1 3 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.856 -0.126 19102
66 1 3 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.188 -1.758 19102
67 1 3 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.995 14.095 19102
68 1 3 . 1 1 2 2 CYS H H 2 8.810 8.810 8.604 0.206 19102
69 1 3 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.419 -0.019 19102
70 1 3 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.102 -2.952 19102
71 1 3 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.643 -0.253 19102
72 1 3 . 1 1 3 3 ARG H H 3 8.930 8.930 8.673 0.257 19102
73 1 3 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.448 -0.128 19102
74 1 3 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.413 -2.603 19102
75 1 3 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.175 0.445 19102
76 1 3 . 1 1 4 4 LEU H H 4 8.000 8.000 7.973 0.027 19102
77 1 3 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
78 1 3 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.696 -3.616 19102
79 1 3 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.368 -0.388 19102
80 1 3 . 1 1 5 5 ALA H H 5 7.990 7.990 8.533 -0.543 19102
81 1 3 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
82 1 3 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.684 -5.484 19102
83 1 3 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
84 1 3 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.200 19102
85 1 3 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.878 -2.558 19102
86 1 3 . 1 1 7 7 GLY H H 7 8.350 8.350 7.680 0.670 19102
87 1 3 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.323 -0.333 19102
88 1 3 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.207 2.203 19102
89 1 3 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.419 0.301 19102
90 1 3 . 1 1 8 8 LEU H H 8 8.980 8.980 7.785 1.195 19102
91 1 3 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.546 -2.206 19102
92 1 3 . 1 1 9 9 GLY H H 9 8.380 8.380 7.923 0.457 19102
93 1 3 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
94 1 3 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
95 1 3 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
96 1 3 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
97 1 4 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
98 1 4 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.146 -1.716 19102
99 1 4 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.070 14.020 19102
100 1 4 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102
101 1 4 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.435 -0.035 19102
102 1 4 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.099 -2.949 19102
103 1 4 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.523 -0.133 19102
104 1 4 . 1 1 3 3 ARG H H 3 8.930 8.930 8.668 0.262 19102
105 1 4 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102
106 1 4 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.383 -2.573 19102
107 1 4 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.150 0.470 19102
108 1 4 . 1 1 4 4 LEU H H 4 8.000 8.000 7.975 0.025 19102
109 1 4 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.337 -0.169 19102
110 1 4 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102
111 1 4 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.358 -0.378 19102
112 1 4 . 1 1 5 5 ALA H H 5 7.990 7.990 8.533 -0.543 19102
113 1 4 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
114 1 4 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.688 -5.488 19102
115 1 4 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
116 1 4 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
117 1 4 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.039 -2.719 19102
118 1 4 . 1 1 7 7 GLY H H 7 8.350 8.350 7.709 0.641 19102
119 1 4 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.323 -0.333 19102
120 1 4 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.183 2.227 19102
121 1 4 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.593 0.127 19102
122 1 4 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102
123 1 4 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.505 -2.165 19102
124 1 4 . 1 1 9 9 GLY H H 9 8.380 8.380 7.866 0.514 19102
125 1 4 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
126 1 4 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
127 1 4 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102
128 1 4 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
129 1 5 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
130 1 5 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.131 -1.701 19102
131 1 5 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.086 14.004 19102
132 1 5 . 1 1 2 2 CYS H H 2 8.810 8.810 8.594 0.216 19102
133 1 5 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.439 -0.039 19102
134 1 5 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.032 -2.882 19102
135 1 5 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.404 -0.014 19102
136 1 5 . 1 1 3 3 ARG H H 3 8.930 8.930 8.665 0.265 19102
137 1 5 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.460 -0.140 19102
138 1 5 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.309 -2.499 19102
139 1 5 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.084 0.536 19102
140 1 5 . 1 1 4 4 LEU H H 4 8.000 8.000 7.973 0.027 19102
141 1 5 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
142 1 5 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102
143 1 5 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.365 -0.385 19102
144 1 5 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102
145 1 5 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
146 1 5 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.684 -5.484 19102
147 1 5 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
148 1 5 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.200 19102
149 1 5 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.881 -2.561 19102
150 1 5 . 1 1 7 7 GLY H H 7 8.350 8.350 7.675 0.675 19102
151 1 5 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.312 -0.322 19102
152 1 5 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.232 2.178 19102
153 1 5 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.618 0.102 19102
154 1 5 . 1 1 8 8 LEU H H 8 8.980 8.980 7.792 1.188 19102
155 1 5 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.533 -2.193 19102
156 1 5 . 1 1 9 9 GLY H H 9 8.380 8.380 7.906 0.474 19102
157 1 5 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
158 1 5 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102
159 1 5 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102
160 1 5 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
161 1 6 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.864 -0.134 19102
162 1 6 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.535 -2.105 19102
163 1 6 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.935 14.155 19102
164 1 6 . 1 1 2 2 CYS H H 2 8.810 8.810 8.596 0.214 19102
165 1 6 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.432 -0.032 19102
166 1 6 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.166 -3.016 19102
167 1 6 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.330 0.060 19102
168 1 6 . 1 1 3 3 ARG H H 3 8.930 8.930 8.676 0.254 19102
169 1 6 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.427 -0.107 19102
170 1 6 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.347 -2.537 19102
171 1 6 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.324 0.296 19102
172 1 6 . 1 1 4 4 LEU H H 4 8.000 8.000 7.989 0.011 19102
173 1 6 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
174 1 6 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.701 -3.621 19102
175 1 6 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.366 -0.386 19102
176 1 6 . 1 1 5 5 ALA H H 5 7.990 7.990 8.531 -0.541 19102
177 1 6 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
178 1 6 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.693 -5.493 19102
179 1 6 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
180 1 6 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
181 1 6 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.045 -2.725 19102
182 1 6 . 1 1 7 7 GLY H H 7 8.350 8.350 7.711 0.639 19102
183 1 6 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.325 -0.335 19102
184 1 6 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.136 2.274 19102
185 1 6 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.572 0.148 19102
186 1 6 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102
187 1 6 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.512 -2.172 19102
188 1 6 . 1 1 9 9 GLY H H 9 8.380 8.380 7.862 0.518 19102
189 1 6 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
190 1 6 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
191 1 6 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.259 9.982 19102
192 1 6 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
193 1 7 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.858 -0.128 19102
194 1 7 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.210 -1.780 19102
195 1 7 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.978 14.112 19102
196 1 7 . 1 1 2 2 CYS H H 2 8.810 8.810 8.607 0.203 19102
197 1 7 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.416 -0.016 19102
198 1 7 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.089 -2.939 19102
199 1 7 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.659 -0.269 19102
200 1 7 . 1 1 3 3 ARG H H 3 8.930 8.930 8.674 0.256 19102
201 1 7 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.444 -0.123 19102
202 1 7 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.448 -2.638 19102
203 1 7 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.229 0.391 19102
204 1 7 . 1 1 4 4 LEU H H 4 8.000 8.000 7.977 0.023 19102
205 1 7 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
206 1 7 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.693 -3.613 19102
207 1 7 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.365 -0.385 19102
208 1 7 . 1 1 5 5 ALA H H 5 7.990 7.990 8.536 -0.546 19102
209 1 7 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
210 1 7 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.683 -5.483 19102
211 1 7 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
212 1 7 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
213 1 7 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.872 -2.552 19102
214 1 7 . 1 1 7 7 GLY H H 7 8.350 8.350 7.672 0.678 19102
215 1 7 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.309 -0.319 19102
216 1 7 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.224 2.186 19102
217 1 7 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.660 0.061 19102
218 1 7 . 1 1 8 8 LEU H H 8 8.980 8.980 7.795 1.185 19102
219 1 7 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.543 -2.203 19102
220 1 7 . 1 1 9 9 GLY H H 9 8.380 8.380 7.901 0.479 19102
221 1 7 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
222 1 7 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
223 1 7 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.978 19102
224 1 7 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
225 1 8 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
226 1 8 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.137 -1.707 19102
227 1 8 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.084 14.006 19102
228 1 8 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102
229 1 8 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.439 -0.039 19102
230 1 8 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.057 -2.908 19102
231 1 8 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.438 -0.048 19102
232 1 8 . 1 1 3 3 ARG H H 3 8.930 8.930 8.664 0.266 19102
233 1 8 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.458 -0.138 19102
234 1 8 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.324 -2.514 19102
235 1 8 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.087 0.533 19102
236 1 8 . 1 1 4 4 LEU H H 4 8.000 8.000 7.972 0.028 19102
237 1 8 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
238 1 8 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.706 -3.626 19102
239 1 8 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.360 -0.380 19102
240 1 8 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102
241 1 8 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
242 1 8 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.694 -5.494 19102
243 1 8 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.087 14.763 19102
244 1 8 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
245 1 8 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.029 -2.708 19102
246 1 8 . 1 1 7 7 GLY H H 7 8.350 8.350 7.705 0.645 19102
247 1 8 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.322 -0.332 19102
248 1 8 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.267 2.143 19102
249 1 8 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.592 0.128 19102
250 1 8 . 1 1 8 8 LEU H H 8 8.980 8.980 7.773 1.207 19102
251 1 8 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.493 -2.154 19102
252 1 8 . 1 1 9 9 GLY H H 9 8.380 8.380 7.876 0.504 19102
253 1 8 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
254 1 8 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
255 1 8 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.978 19102
256 1 8 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
257 1 9 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.865 -0.135 19102
258 1 9 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.535 -2.105 19102
259 1 9 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.932 14.158 19102
260 1 9 . 1 1 2 2 CYS H H 2 8.810 8.810 8.597 0.213 19102
261 1 9 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.431 -0.031 19102
262 1 9 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.167 -3.018 19102
263 1 9 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.355 0.035 19102
264 1 9 . 1 1 3 3 ARG H H 3 8.930 8.930 8.676 0.254 19102
265 1 9 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.424 -0.104 19102
266 1 9 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.402 -2.592 19102
267 1 9 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.377 0.243 19102
268 1 9 . 1 1 4 4 LEU H H 4 8.000 8.000 7.994 0.006 19102
269 1 9 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
270 1 9 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.696 -3.615 19102
271 1 9 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.360 -0.381 19102
272 1 9 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102
273 1 9 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
274 1 9 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102
275 1 9 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
276 1 9 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
277 1 9 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.879 -2.559 19102
278 1 9 . 1 1 7 7 GLY H H 7 8.350 8.350 7.674 0.676 19102
279 1 9 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.311 -0.321 19102
280 1 9 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.233 2.177 19102
281 1 9 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.648 0.072 19102
282 1 9 . 1 1 8 8 LEU H H 8 8.980 8.980 7.792 1.188 19102
283 1 9 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.533 -2.193 19102
284 1 9 . 1 1 9 9 GLY H H 9 8.380 8.380 7.904 0.476 19102
285 1 9 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
286 1 9 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
287 1 9 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102
288 1 9 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
289 1 10 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
290 1 10 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.144 -1.714 19102
291 1 10 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.041 14.050 19102
292 1 10 . 1 1 2 2 CYS H H 2 8.810 8.810 8.599 0.211 19102
293 1 10 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.428 -0.028 19102
294 1 10 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.079 -2.929 19102
295 1 10 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.538 -0.148 19102
296 1 10 . 1 1 3 3 ARG H H 3 8.930 8.930 8.668 0.262 19102
297 1 10 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.453 -0.133 19102
298 1 10 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.395 -2.586 19102
299 1 10 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.183 0.437 19102
300 1 10 . 1 1 4 4 LEU H H 4 8.000 8.000 7.975 0.025 19102
301 1 10 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
302 1 10 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.703 -3.623 19102
303 1 10 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.354 -0.374 19102
304 1 10 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102
305 1 10 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
306 1 10 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.688 -5.488 19102
307 1 10 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.087 14.763 19102
308 1 10 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
309 1 10 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.043 -2.723 19102
310 1 10 . 1 1 7 7 GLY H H 7 8.350 8.350 7.710 0.640 19102
311 1 10 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.325 -0.335 19102
312 1 10 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.165 2.245 19102
313 1 10 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.552 0.168 19102
314 1 10 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102
315 1 10 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.508 -2.167 19102
316 1 10 . 1 1 9 9 GLY H H 9 8.380 8.380 7.866 0.514 19102
317 1 10 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
318 1 10 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
319 1 10 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
320 1 10 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
321 1 11 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.865 -0.135 19102
322 1 11 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.533 -2.103 19102
323 1 11 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.933 14.157 19102
324 1 11 . 1 1 2 2 CYS H H 2 8.810 8.810 8.598 0.212 19102
325 1 11 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102
326 1 11 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.182 -3.032 19102
327 1 11 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.360 0.030 19102
328 1 11 . 1 1 3 3 ARG H H 3 8.930 8.930 8.676 0.254 19102
329 1 11 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.425 -0.105 19102
330 1 11 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.372 -2.562 19102
331 1 11 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.346 0.274 19102
332 1 11 . 1 1 4 4 LEU H H 4 8.000 8.000 7.991 0.009 19102
333 1 11 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
334 1 11 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102
335 1 11 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.363 -0.383 19102
336 1 11 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102
337 1 11 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
338 1 11 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.697 -5.497 19102
339 1 11 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
340 1 11 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
341 1 11 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.046 -2.726 19102
342 1 11 . 1 1 7 7 GLY H H 7 8.350 8.350 7.710 0.640 19102
343 1 11 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.324 -0.334 19102
344 1 11 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.146 2.264 19102
345 1 11 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.579 0.141 19102
346 1 11 . 1 1 8 8 LEU H H 8 8.980 8.980 7.777 1.203 19102
347 1 11 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.511 -2.171 19102
348 1 11 . 1 1 9 9 GLY H H 9 8.380 8.380 7.863 0.517 19102
349 1 11 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
350 1 11 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
351 1 11 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102
352 1 11 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
353 1 12 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.854 -0.124 19102
354 1 12 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.159 -1.729 19102
355 1 12 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.039 14.051 19102
356 1 12 . 1 1 2 2 CYS H H 2 8.810 8.810 8.596 0.214 19102
357 1 12 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102
358 1 12 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.130 -2.980 19102
359 1 12 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.603 -0.213 19102
360 1 12 . 1 1 3 3 ARG H H 3 8.930 8.930 8.669 0.261 19102
361 1 12 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.453 -0.133 19102
362 1 12 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.384 -2.574 19102
363 1 12 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.119 0.501 19102
364 1 12 . 1 1 4 4 LEU H H 4 8.000 8.000 7.972 0.028 19102
365 1 12 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
366 1 12 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102
367 1 12 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.365 -0.385 19102
368 1 12 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102
369 1 12 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
370 1 12 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.490 19102
371 1 12 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
372 1 12 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
373 1 12 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.038 -2.718 19102
374 1 12 . 1 1 7 7 GLY H H 7 8.350 8.350 7.706 0.644 19102
375 1 12 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.320 -0.330 19102
376 1 12 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.225 2.185 19102
377 1 12 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.623 0.097 19102
378 1 12 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102
379 1 12 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.498 -2.158 19102
380 1 12 . 1 1 9 9 GLY H H 9 8.380 8.380 7.868 0.512 19102
381 1 12 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
382 1 12 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.980 0.690 19102
383 1 12 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102
384 1 12 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
385 1 13 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102
386 1 13 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.135 -1.705 19102
387 1 13 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.048 14.042 19102
388 1 13 . 1 1 2 2 CYS H H 2 8.810 8.810 8.600 0.210 19102
389 1 13 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102
390 1 13 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.057 -2.907 19102
391 1 13 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.503 -0.113 19102
392 1 13 . 1 1 3 3 ARG H H 3 8.930 8.930 8.667 0.263 19102
393 1 13 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.453 -0.133 19102
394 1 13 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.378 -2.568 19102
395 1 13 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.169 0.451 19102
396 1 13 . 1 1 4 4 LEU H H 4 8.000 8.000 7.976 0.024 19102
397 1 13 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
398 1 13 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102
399 1 13 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.357 -0.377 19102
400 1 13 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102
401 1 13 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
402 1 13 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102
403 1 13 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
404 1 13 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
405 1 13 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.887 -2.567 19102
406 1 13 . 1 1 7 7 GLY H H 7 8.350 8.350 7.686 0.664 19102
407 1 13 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.332 -0.342 19102
408 1 13 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.191 2.219 19102
409 1 13 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.336 0.384 19102
410 1 13 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102
411 1 13 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.540 -2.200 19102
412 1 13 . 1 1 9 9 GLY H H 9 8.380 8.380 7.931 0.449 19102
413 1 13 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
414 1 13 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102
415 1 13 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102
416 1 13 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
417 1 14 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.945 -0.215 19102
418 1 14 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.502 -2.072 19102
419 1 14 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.820 14.270 19102
420 1 14 . 1 1 2 2 CYS H H 2 8.810 8.810 8.638 0.172 19102
421 1 14 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.428 -0.028 19102
422 1 14 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.191 -3.041 19102
423 1 14 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.383 0.007 19102
424 1 14 . 1 1 3 3 ARG H H 3 8.930 8.930 8.677 0.253 19102
425 1 14 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.423 -0.103 19102
426 1 14 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.407 -2.598 19102
427 1 14 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.385 0.235 19102
428 1 14 . 1 1 4 4 LEU H H 4 8.000 8.000 7.994 0.006 19102
429 1 14 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102
430 1 14 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.696 -3.615 19102
431 1 14 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.359 -0.379 19102
432 1 14 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102
433 1 14 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
434 1 14 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.489 19102
435 1 14 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.090 14.760 19102
436 1 14 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
437 1 14 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.916 -2.596 19102
438 1 14 . 1 1 7 7 GLY H H 7 8.350 8.350 7.679 0.671 19102
439 1 14 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102
440 1 14 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.288 2.122 19102
441 1 14 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.701 0.019 19102
442 1 14 . 1 1 8 8 LEU H H 8 8.980 8.980 7.785 1.195 19102
443 1 14 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.502 -2.162 19102
444 1 14 . 1 1 9 9 GLY H H 9 8.380 8.380 7.899 0.481 19102
445 1 14 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
446 1 14 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
447 1 14 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
448 1 14 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
449 1 15 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
450 1 15 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.154 -1.724 19102
451 1 15 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.059 14.031 19102
452 1 15 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102
453 1 15 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.434 -0.034 19102
454 1 15 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.131 -2.981 19102
455 1 15 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.563 -0.173 19102
456 1 15 . 1 1 3 3 ARG H H 3 8.930 8.930 8.666 0.264 19102
457 1 15 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102
458 1 15 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.378 -2.568 19102
459 1 15 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.107 0.513 19102
460 1 15 . 1 1 4 4 LEU H H 4 8.000 8.000 7.973 0.027 19102
461 1 15 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
462 1 15 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.693 -3.613 19102
463 1 15 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.363 -0.383 19102
464 1 15 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102
465 1 15 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
466 1 15 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.486 19102
467 1 15 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.092 14.758 19102
468 1 15 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.200 19102
469 1 15 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.879 -2.559 19102
470 1 15 . 1 1 7 7 GLY H H 7 8.350 8.350 7.676 0.674 19102
471 1 15 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.315 -0.325 19102
472 1 15 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.227 2.183 19102
473 1 15 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.558 0.162 19102
474 1 15 . 1 1 8 8 LEU H H 8 8.980 8.980 7.790 1.190 19102
475 1 15 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.537 -2.197 19102
476 1 15 . 1 1 9 9 GLY H H 9 8.380 8.380 7.912 0.468 19102
477 1 15 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
478 1 15 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102
479 1 15 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
480 1 15 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
481 1 16 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.947 -0.217 19102
482 1 16 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.294 -1.864 19102
483 1 16 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.869 14.222 19102
484 1 16 . 1 1 2 2 CYS H H 2 8.810 8.810 8.590 0.220 19102
485 1 16 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.432 -0.032 19102
486 1 16 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.173 -3.023 19102
487 1 16 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.341 0.049 19102
488 1 16 . 1 1 3 3 ARG H H 3 8.930 8.930 8.675 0.255 19102
489 1 16 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.424 -0.104 19102
490 1 16 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.400 -2.590 19102
491 1 16 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.364 0.256 19102
492 1 16 . 1 1 4 4 LEU H H 4 8.000 8.000 7.993 0.007 19102
493 1 16 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
494 1 16 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.701 -3.621 19102
495 1 16 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.358 -0.378 19102
496 1 16 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102
497 1 16 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
498 1 16 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.485 19102
499 1 16 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
500 1 16 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
501 1 16 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.979 -2.659 19102
502 1 16 . 1 1 7 7 GLY H H 7 8.350 8.350 7.689 0.661 19102
503 1 16 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102
504 1 16 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.355 2.054 19102
505 1 16 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.771 -0.051 19102
506 1 16 . 1 1 8 8 LEU H H 8 8.980 8.980 7.779 1.201 19102
507 1 16 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.483 -2.143 19102
508 1 16 . 1 1 9 9 GLY H H 9 8.380 8.380 7.881 0.499 19102
509 1 16 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
510 1 16 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
511 1 16 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.264 9.976 19102
512 1 16 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
513 1 17 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102
514 1 17 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.142 -1.712 19102
515 1 17 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.045 14.045 19102
516 1 17 . 1 1 2 2 CYS H H 2 8.810 8.810 8.599 0.211 19102
517 1 17 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102
518 1 17 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.087 -2.937 19102
519 1 17 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.525 -0.135 19102
520 1 17 . 1 1 3 3 ARG H H 3 8.930 8.930 8.666 0.264 19102
521 1 17 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102
522 1 17 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.355 -2.545 19102
523 1 17 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.122 0.498 19102
524 1 17 . 1 1 4 4 LEU H H 4 8.000 8.000 7.972 0.028 19102
525 1 17 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
526 1 17 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.700 -3.620 19102
527 1 17 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.360 -0.380 19102
528 1 17 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102
529 1 17 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
530 1 17 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.692 -5.492 19102
531 1 17 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
532 1 17 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
533 1 17 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.037 -2.717 19102
534 1 17 . 1 1 7 7 GLY H H 7 8.350 8.350 7.708 0.642 19102
535 1 17 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.322 -0.332 19102
536 1 17 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.203 2.207 19102
537 1 17 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.594 0.126 19102
538 1 17 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102
539 1 17 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.502 -2.162 19102
540 1 17 . 1 1 9 9 GLY H H 9 8.380 8.380 7.868 0.512 19102
541 1 17 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
542 1 17 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102
543 1 17 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
544 1 17 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
545 1 18 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102
546 1 18 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.163 -1.733 19102
547 1 18 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.097 13.993 19102
548 1 18 . 1 1 2 2 CYS H H 2 8.810 8.810 8.586 0.224 19102
549 1 18 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.444 -0.044 19102
550 1 18 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.115 -2.965 19102
551 1 18 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.489 -0.099 19102
552 1 18 . 1 1 3 3 ARG H H 3 8.930 8.930 8.661 0.269 19102
553 1 18 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102
554 1 18 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.370 -2.560 19102
555 1 18 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.105 0.515 19102
556 1 18 . 1 1 4 4 LEU H H 4 8.000 8.000 7.974 0.026 19102
557 1 18 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102
558 1 18 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102
559 1 18 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.358 -0.378 19102
560 1 18 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102
561 1 18 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
562 1 18 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.489 19102
563 1 18 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
564 1 18 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
565 1 18 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.885 -2.565 19102
566 1 18 . 1 1 7 7 GLY H H 7 8.350 8.350 7.688 0.662 19102
567 1 18 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.338 -0.348 19102
568 1 18 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.172 2.239 19102
569 1 18 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.272 0.448 19102
570 1 18 . 1 1 8 8 LEU H H 8 8.980 8.980 7.773 1.207 19102
571 1 18 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.548 -2.208 19102
572 1 18 . 1 1 9 9 GLY H H 9 8.380 8.380 7.936 0.444 19102
573 1 18 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
574 1 18 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102
575 1 18 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102
576 1 18 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
577 1 19 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.856 -0.126 19102
578 1 19 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.100 -1.670 19102
579 1 19 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.078 14.012 19102
580 1 19 . 1 1 2 2 CYS H H 2 8.810 8.810 8.600 0.210 19102
581 1 19 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.448 -0.048 19102
582 1 19 . 1 1 3 3 ARG CA C 3 55.150 55.150 57.995 -2.845 19102
583 1 19 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.309 0.081 19102
584 1 19 . 1 1 3 3 ARG H H 3 8.930 8.930 8.707 0.223 19102
585 1 19 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.465 -0.145 19102
586 1 19 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.323 -2.513 19102
587 1 19 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.573 0.047 19102
588 1 19 . 1 1 4 4 LEU H H 4 8.000 8.000 7.857 0.143 19102
589 1 19 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.361 -0.193 19102
590 1 19 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.681 -3.601 19102
591 1 19 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.388 -0.408 19102
592 1 19 . 1 1 5 5 ALA H H 5 7.990 7.990 8.487 -0.497 19102
593 1 19 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
594 1 19 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.693 -5.492 19102
595 1 19 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.090 14.760 19102
596 1 19 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
597 1 19 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.962 -2.642 19102
598 1 19 . 1 1 7 7 GLY H H 7 8.350 8.350 7.687 0.663 19102
599 1 19 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.314 -0.324 19102
600 1 19 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.352 2.058 19102
601 1 19 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.656 0.064 19102
602 1 19 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102
603 1 19 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.482 -2.142 19102
604 1 19 . 1 1 9 9 GLY H H 9 8.380 8.380 7.898 0.482 19102
605 1 19 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
606 1 19 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.980 0.690 19102
607 1 19 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.264 9.976 19102
608 1 19 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
609 1 20 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
610 1 20 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.138 -1.708 19102
611 1 20 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.057 14.033 19102
612 1 20 . 1 1 2 2 CYS H H 2 8.810 8.810 8.596 0.214 19102
613 1 20 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.450 -0.050 19102
614 1 20 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.105 -2.955 19102
615 1 20 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.475 -0.085 19102
616 1 20 . 1 1 3 3 ARG H H 3 8.930 8.930 8.708 0.222 19102
617 1 20 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.450 -0.130 19102
618 1 20 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.375 -2.565 19102
619 1 20 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.670 -0.050 19102
620 1 20 . 1 1 4 4 LEU H H 4 8.000 8.000 7.870 0.130 19102
621 1 20 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102
622 1 20 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.685 -3.606 19102
623 1 20 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.391 -0.411 19102
624 1 20 . 1 1 5 5 ALA H H 5 7.990 7.990 8.489 -0.499 19102
625 1 20 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
626 1 20 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.485 19102
627 1 20 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
628 1 20 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
629 1 20 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.018 -2.698 19102
630 1 20 . 1 1 7 7 GLY H H 7 8.350 8.350 7.700 0.650 19102
631 1 20 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.315 -0.325 19102
632 1 20 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.296 2.114 19102
633 1 20 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.696 0.024 19102
634 1 20 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102
635 1 20 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.491 -2.151 19102
636 1 20 . 1 1 9 9 GLY H H 9 8.380 8.380 7.873 0.507 19102
637 1 20 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
638 1 20 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102
639 1 20 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.259 9.981 19102
640 1 20 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
641 1 21 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
642 1 21 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.152 -1.722 19102
643 1 21 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.098 13.992 19102
644 1 21 . 1 1 2 2 CYS H H 2 8.810 8.810 8.589 0.221 19102
645 1 21 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.461 -0.061 19102
646 1 21 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.075 -2.925 19102
647 1 21 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.421 -0.031 19102
648 1 21 . 1 1 3 3 ARG H H 3 8.930 8.930 8.704 0.226 19102
649 1 21 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.447 -0.127 19102
650 1 21 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.383 -2.573 19102
651 1 21 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.646 -0.026 19102
652 1 21 . 1 1 4 4 LEU H H 4 8.000 8.000 7.873 0.127 19102
653 1 21 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102
654 1 21 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.676 -3.596 19102
655 1 21 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.394 -0.414 19102
656 1 21 . 1 1 5 5 ALA H H 5 7.990 7.990 8.492 -0.502 19102
657 1 21 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
658 1 21 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.686 -5.486 19102
659 1 21 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
660 1 21 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
661 1 21 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.882 -2.562 19102
662 1 21 . 1 1 7 7 GLY H H 7 8.350 8.350 7.679 0.671 19102
663 1 21 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.319 -0.329 19102
664 1 21 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.221 2.189 19102
665 1 21 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.486 0.234 19102
666 1 21 . 1 1 8 8 LEU H H 8 8.980 8.980 7.786 1.194 19102
667 1 21 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.535 -2.195 19102
668 1 21 . 1 1 9 9 GLY H H 9 8.380 8.380 7.918 0.462 19102
669 1 21 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
670 1 21 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
671 1 21 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
672 1 21 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
673 1 22 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102
674 1 22 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.157 -1.726 19102
675 1 22 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.052 14.038 19102
676 1 22 . 1 1 2 2 CYS H H 2 8.810 8.810 8.594 0.216 19102
677 1 22 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.451 -0.051 19102
678 1 22 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.156 -3.006 19102
679 1 22 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.569 -0.179 19102
680 1 22 . 1 1 3 3 ARG H H 3 8.930 8.930 8.711 0.219 19102
681 1 22 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.450 -0.130 19102
682 1 22 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.395 -2.585 19102
683 1 22 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.693 -0.073 19102
684 1 22 . 1 1 4 4 LEU H H 4 8.000 8.000 7.869 0.131 19102
685 1 22 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.361 -0.193 19102
686 1 22 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.683 -3.603 19102
687 1 22 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.388 -0.408 19102
688 1 22 . 1 1 5 5 ALA H H 5 7.990 7.990 8.487 -0.497 19102
689 1 22 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.500 0.630 19102
690 1 22 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.700 -5.500 19102
691 1 22 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.090 14.761 19102
692 1 22 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
693 1 22 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.046 -2.726 19102
694 1 22 . 1 1 7 7 GLY H H 7 8.350 8.350 7.710 0.640 19102
695 1 22 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.324 -0.334 19102
696 1 22 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.194 2.216 19102
697 1 22 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.553 0.167 19102
698 1 22 . 1 1 8 8 LEU H H 8 8.980 8.980 7.774 1.206 19102
699 1 22 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.502 -2.162 19102
700 1 22 . 1 1 9 9 GLY H H 9 8.380 8.380 7.869 0.511 19102
701 1 22 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
702 1 22 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
703 1 22 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.979 19102
704 1 22 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
705 1 23 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.940 -0.210 19102
706 1 23 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.570 -2.140 19102
707 1 23 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.796 14.294 19102
708 1 23 . 1 1 2 2 CYS H H 2 8.810 8.810 8.649 0.161 19102
709 1 23 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.461 -0.061 19102
710 1 23 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.218 -3.068 19102
711 1 23 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.323 0.067 19102
712 1 23 . 1 1 3 3 ARG H H 3 8.930 8.930 8.707 0.223 19102
713 1 23 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.421 -0.101 19102
714 1 23 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.183 -2.373 19102
715 1 23 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.909 -0.289 19102
716 1 23 . 1 1 4 4 LEU H H 4 8.000 8.000 7.859 0.141 19102
717 1 23 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.359 -0.191 19102
718 1 23 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.678 -3.598 19102
719 1 23 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.394 -0.414 19102
720 1 23 . 1 1 5 5 ALA H H 5 7.990 7.990 8.492 -0.502 19102
721 1 23 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
722 1 23 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.682 -5.482 19102
723 1 23 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
724 1 23 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
725 1 23 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.878 -2.558 19102
726 1 23 . 1 1 7 7 GLY H H 7 8.350 8.350 7.673 0.677 19102
727 1 23 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102
728 1 23 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.232 2.178 19102
729 1 23 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.644 0.076 19102
730 1 23 . 1 1 8 8 LEU H H 8 8.980 8.980 7.794 1.186 19102
731 1 23 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.535 -2.195 19102
732 1 23 . 1 1 9 9 GLY H H 9 8.380 8.380 7.904 0.476 19102
733 1 23 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
734 1 23 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.691 19102
735 1 23 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.978 19102
736 1 23 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
737 1 24 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102
738 1 24 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.141 -1.711 19102
739 1 24 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.036 14.054 19102
740 1 24 . 1 1 2 2 CYS H H 2 8.810 8.810 8.600 0.210 19102
741 1 24 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.448 -0.048 19102
742 1 24 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.175 -3.025 19102
743 1 24 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.378 0.012 19102
744 1 24 . 1 1 3 3 ARG H H 3 8.930 8.930 8.653 0.277 19102
745 1 24 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.415 -0.095 19102
746 1 24 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.490 -2.680 19102
747 1 24 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.539 0.081 19102
748 1 24 . 1 1 4 4 LEU H H 4 8.000 8.000 7.888 0.112 19102
749 1 24 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.329 -0.161 19102
750 1 24 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.666 -3.586 19102
751 1 24 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.385 -0.405 19102
752 1 24 . 1 1 5 5 ALA H H 5 7.990 7.990 8.509 -0.519 19102
753 1 24 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
754 1 24 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.686 -5.486 19102
755 1 24 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.092 14.758 19102
756 1 24 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.201 19102
757 1 24 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.910 -2.591 19102
758 1 24 . 1 1 7 7 GLY H H 7 8.350 8.350 7.676 0.674 19102
759 1 24 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.307 -0.317 19102
760 1 24 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.278 2.132 19102
761 1 24 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.757 -0.037 19102
762 1 24 . 1 1 8 8 LEU H H 8 8.980 8.980 7.788 1.192 19102
763 1 24 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.505 -2.165 19102
764 1 24 . 1 1 9 9 GLY H H 9 8.380 8.380 7.894 0.486 19102
765 1 24 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
766 1 24 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.979 0.691 19102
767 1 24 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.977 19102
768 1 24 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
769 1 25 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
770 1 25 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.140 -1.710 19102
771 1 25 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.079 14.011 19102
772 1 25 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102
773 1 25 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.461 -0.061 19102
774 1 25 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.169 -3.019 19102
775 1 25 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.331 0.059 19102
776 1 25 . 1 1 3 3 ARG H H 3 8.930 8.930 8.653 0.277 19102
777 1 25 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.420 -0.100 19102
778 1 25 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.482 -2.672 19102
779 1 25 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.490 0.130 19102
780 1 25 . 1 1 4 4 LEU H H 4 8.000 8.000 7.889 0.111 19102
781 1 25 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.330 -0.162 19102
782 1 25 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.669 -3.589 19102
783 1 25 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.386 -0.406 19102
784 1 25 . 1 1 5 5 ALA H H 5 7.990 7.990 8.508 -0.518 19102
785 1 25 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
786 1 25 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.688 -5.488 19102
787 1 25 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.092 14.758 19102
788 1 25 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
789 1 25 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.893 -2.573 19102
790 1 25 . 1 1 7 7 GLY H H 7 8.350 8.350 7.679 0.671 19102
791 1 25 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.319 -0.329 19102
792 1 25 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.231 2.179 19102
793 1 25 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.504 0.216 19102
794 1 25 . 1 1 8 8 LEU H H 8 8.980 8.980 7.784 1.196 19102
795 1 25 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.524 -2.184 19102
796 1 25 . 1 1 9 9 GLY H H 9 8.380 8.380 7.917 0.463 19102
797 1 25 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
798 1 25 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102
799 1 25 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.259 9.981 19102
800 1 25 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
801 1 26 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.851 -0.121 19102
802 1 26 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.145 -1.715 19102
803 1 26 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.097 13.993 19102
804 1 26 . 1 1 2 2 CYS H H 2 8.810 8.810 8.590 0.220 19102
805 1 26 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.467 -0.067 19102
806 1 26 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.141 -2.991 19102
807 1 26 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.276 0.114 19102
808 1 26 . 1 1 3 3 ARG H H 3 8.930 8.930 8.653 0.277 19102
809 1 26 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.423 -0.103 19102
810 1 26 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.472 -2.662 19102
811 1 26 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.472 0.148 19102
812 1 26 . 1 1 4 4 LEU H H 4 8.000 8.000 7.890 0.110 19102
813 1 26 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.329 -0.161 19102
814 1 26 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.677 -3.597 19102
815 1 26 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.387 -0.406 19102
816 1 26 . 1 1 5 5 ALA H H 5 7.990 7.990 8.508 -0.518 19102
817 1 26 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
818 1 26 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.486 19102
819 1 26 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102
820 1 26 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
821 1 26 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.972 -2.652 19102
822 1 26 . 1 1 7 7 GLY H H 7 8.350 8.350 7.688 0.662 19102
823 1 26 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102
824 1 26 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.358 2.052 19102
825 1 26 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.759 -0.039 19102
826 1 26 . 1 1 8 8 LEU H H 8 8.980 8.980 7.779 1.201 19102
827 1 26 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.483 -2.143 19102
828 1 26 . 1 1 9 9 GLY H H 9 8.380 8.380 7.886 0.494 19102
829 1 26 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
830 1 26 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
831 1 26 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102
832 1 26 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
833 1 27 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.856 -0.126 19102
834 1 27 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.129 -1.699 19102
835 1 27 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.033 14.057 19102
836 1 27 . 1 1 2 2 CYS H H 2 8.810 8.810 8.605 0.205 19102
837 1 27 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.443 -0.043 19102
838 1 27 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.056 -2.906 19102
839 1 27 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.430 -0.040 19102
840 1 27 . 1 1 3 3 ARG H H 3 8.930 8.930 8.704 0.226 19102
841 1 27 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.449 -0.129 19102
842 1 27 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.341 -2.531 19102
843 1 27 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.690 -0.070 19102
844 1 27 . 1 1 4 4 LEU H H 4 8.000 8.000 7.868 0.132 19102
845 1 27 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.359 -0.191 19102
846 1 27 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.689 -3.609 19102
847 1 27 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.389 -0.409 19102
848 1 27 . 1 1 5 5 ALA H H 5 7.990 7.990 8.488 -0.498 19102
849 1 27 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
850 1 27 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.697 -5.497 19102
851 1 27 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.087 14.763 19102
852 1 27 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
853 1 27 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.009 -2.689 19102
854 1 27 . 1 1 7 7 GLY H H 7 8.350 8.350 7.699 0.651 19102
855 1 27 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.318 -0.328 19102
856 1 27 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.343 2.067 19102
857 1 27 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.617 0.103 19102
858 1 27 . 1 1 8 8 LEU H H 8 8.980 8.980 7.772 1.208 19102
859 1 27 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.481 -2.141 19102
860 1 27 . 1 1 9 9 GLY H H 9 8.380 8.380 7.886 0.494 19102
861 1 27 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
862 1 27 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102
863 1 27 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
864 1 27 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
865 1 28 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.855 -0.125 19102
866 1 28 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.124 -1.694 19102
867 1 28 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.040 14.050 19102
868 1 28 . 1 1 2 2 CYS H H 2 8.810 8.810 8.604 0.206 19102
869 1 28 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.445 -0.045 19102
870 1 28 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.054 -2.904 19102
871 1 28 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.421 -0.031 19102
872 1 28 . 1 1 3 3 ARG H H 3 8.930 8.930 8.705 0.225 19102
873 1 28 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.452 -0.132 19102
874 1 28 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.340 -2.530 19102
875 1 28 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.669 -0.049 19102
876 1 28 . 1 1 4 4 LEU H H 4 8.000 8.000 7.867 0.134 19102
877 1 28 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102
878 1 28 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.680 -3.600 19102
879 1 28 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.392 -0.412 19102
880 1 28 . 1 1 5 5 ALA H H 5 7.990 7.990 8.490 -0.500 19102
881 1 28 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
882 1 28 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.687 -5.487 19102
883 1 28 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102
884 1 28 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
885 1 28 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.933 -2.613 19102
886 1 28 . 1 1 7 7 GLY H H 7 8.350 8.350 7.680 0.670 19102
887 1 28 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.308 -0.318 19102
888 1 28 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.315 2.095 19102
889 1 28 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.750 -0.030 19102
890 1 28 . 1 1 8 8 LEU H H 8 8.980 8.980 7.784 1.196 19102
891 1 28 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.495 -2.155 19102
892 1 28 . 1 1 9 9 GLY H H 9 8.380 8.380 7.894 0.486 19102
893 1 28 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
894 1 28 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
895 1 28 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102
896 1 28 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
897 1 29 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102
898 1 29 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.156 -1.726 19102
899 1 29 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.055 14.034 19102
900 1 29 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102
901 1 29 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.458 -0.058 19102
902 1 29 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.216 -3.066 19102
903 1 29 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.444 -0.054 19102
904 1 29 . 1 1 3 3 ARG H H 3 8.930 8.930 8.654 0.276 19102
905 1 29 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.418 -0.098 19102
906 1 29 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.512 -2.702 19102
907 1 29 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.541 0.079 19102
908 1 29 . 1 1 4 4 LEU H H 4 8.000 8.000 7.887 0.113 19102
909 1 29 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.330 -0.162 19102
910 1 29 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.673 -3.593 19102
911 1 29 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.384 -0.404 19102
912 1 29 . 1 1 5 5 ALA H H 5 7.990 7.990 8.507 -0.517 19102
913 1 29 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
914 1 29 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.693 -5.493 19102
915 1 29 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
916 1 29 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
917 1 29 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.054 -2.734 19102
918 1 29 . 1 1 7 7 GLY H H 7 8.350 8.350 7.716 0.634 19102
919 1 29 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.330 -0.341 19102
920 1 29 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.082 2.328 19102
921 1 29 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.482 0.238 19102
922 1 29 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102
923 1 29 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.522 -2.182 19102
924 1 29 . 1 1 9 9 GLY H H 9 8.380 8.380 7.862 0.518 19102
925 1 29 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
926 1 29 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.979 0.691 19102
927 1 29 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102
928 1 29 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102
929 1 30 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102
930 1 30 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.153 -1.722 19102
931 1 30 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.067 14.023 19102
932 1 30 . 1 1 2 2 CYS H H 2 8.810 8.810 8.591 0.219 19102
933 1 30 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.455 -0.055 19102
934 1 30 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.139 -2.989 19102
935 1 30 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.532 -0.142 19102
936 1 30 . 1 1 3 3 ARG H H 3 8.930 8.930 8.709 0.221 19102
937 1 30 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.447 -0.127 19102
938 1 30 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.399 -2.589 19102
939 1 30 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.682 -0.062 19102
940 1 30 . 1 1 4 4 LEU H H 4 8.000 8.000 7.872 0.128 19102
941 1 30 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102
942 1 30 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.682 -3.602 19102
943 1 30 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.391 -0.411 19102
944 1 30 . 1 1 5 5 ALA H H 5 7.990 7.990 8.489 -0.499 19102
945 1 30 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102
946 1 30 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.691 -5.491 19102
947 1 30 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
948 1 30 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
949 1 30 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.003 -2.683 19102
950 1 30 . 1 1 7 7 GLY H H 7 8.350 8.350 7.696 0.654 19102
951 1 30 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.314 -0.324 19102
952 1 30 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.335 2.075 19102
953 1 30 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.700 0.020 19102
954 1 30 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102
955 1 30 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.484 -2.144 19102
956 1 30 . 1 1 9 9 GLY H H 9 8.380 8.380 7.879 0.501 19102
957 1 30 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
958 1 30 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
959 1 30 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102
960 1 30 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19102
2 1 1 "Average Difference" HA 11 0.310 -0.044 0.322 19102
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19102
4 1 1 "Average Difference" CA 9 2.889 1.994 2.218 19102
5 1 1 "Average Difference" CB 7 8.610 -5.676 6.993 19102
6 1 1 "Average Difference" HN 9 0.538 -0.210 0.526 19102
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19102
8 1 2 "Average Difference" HA 11 0.306 -0.054 0.316 19102
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19102
10 1 2 "Average Difference" CA 9 2.971 2.077 2.253 19102
11 1 2 "Average Difference" CB 7 8.602 -5.570 7.080 19102
12 1 2 "Average Difference" HN 9 0.537 -0.210 0.524 19102
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19102
14 1 3 "Average Difference" HA 11 0.308 -0.054 0.318 19102
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19102
16 1 3 "Average Difference" CA 9 2.953 2.031 2.273 19102
17 1 3 "Average Difference" CB 7 8.591 -5.563 7.071 19102
18 1 3 "Average Difference" HN 9 0.534 -0.208 0.522 19102
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19102
20 1 4 "Average Difference" HA 11 0.307 -0.051 0.318 19102
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19102
22 1 4 "Average Difference" CA 9 2.963 2.035 2.285 19102
23 1 4 "Average Difference" CB 7 8.573 -5.549 7.058 19102
24 1 4 "Average Difference" HN 9 0.539 -0.214 0.525 19102
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19102
26 1 5 "Average Difference" HA 11 0.307 -0.052 0.317 19102
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19102
28 1 5 "Average Difference" CA 9 2.929 2.007 2.262 19102
29 1 5 "Average Difference" CB 7 8.569 -5.569 7.034 19102
30 1 5 "Average Difference" HN 9 0.536 -0.212 0.522 19102
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19102
32 1 6 "Average Difference" HA 11 0.307 -0.053 0.317 19102
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19102
34 1 6 "Average Difference" CA 9 3.001 2.078 2.296 19102
35 1 6 "Average Difference" CB 7 8.604 -5.574 7.079 19102
36 1 6 "Average Difference" HN 9 0.538 -0.211 0.525 19102
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19102
38 1 7 "Average Difference" HA 11 0.306 -0.055 0.316 19102
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19102
40 1 7 "Average Difference" CA 9 2.953 2.037 2.269 19102
41 1 7 "Average Difference" CB 7 8.593 -5.521 7.113 19102
42 1 7 "Average Difference" HN 9 0.535 -0.209 0.522 19102
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19102
44 1 8 "Average Difference" HA 11 0.307 -0.051 0.318 19102
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19102
46 1 8 "Average Difference" CA 9 2.945 2.031 2.263 19102
47 1 8 "Average Difference" CB 7 8.570 -5.569 7.036 19102
48 1 8 "Average Difference" HN 9 0.539 -0.214 0.525 19102
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19102
50 1 9 "Average Difference" HA 11 0.306 -0.055 0.315 19102
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19102
52 1 9 "Average Difference" CA 9 2.982 2.078 2.268 19102
53 1 9 "Average Difference" CB 7 8.603 -5.552 7.098 19102
54 1 9 "Average Difference" HN 9 0.536 -0.208 0.524 19102
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19102
56 1 10 "Average Difference" HA 11 0.307 -0.052 0.318 19102
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19102
58 1 10 "Average Difference" CA 9 2.964 2.032 2.289 19102
59 1 10 "Average Difference" CB 7 8.580 -5.553 7.064 19102
60 1 10 "Average Difference" HN 9 0.539 -0.213 0.525 19102
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19102
62 1 11 "Average Difference" HA 11 0.307 -0.053 0.317 19102
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19102
64 1 11 "Average Difference" CA 9 3.005 2.084 2.296 19102
65 1 11 "Average Difference" CB 7 8.604 -5.566 7.086 19102
66 1 11 "Average Difference" HN 9 0.538 -0.211 0.525 19102
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19102
68 1 12 "Average Difference" HA 11 0.307 -0.052 0.317 19102
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19102
70 1 12 "Average Difference" CA 9 2.964 2.044 2.276 19102
71 1 12 "Average Difference" CB 7 8.580 -5.541 7.076 19102
72 1 12 "Average Difference" HN 9 0.539 -0.214 0.525 19102
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19102
74 1 13 "Average Difference" HA 11 0.309 -0.052 0.319 19102
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19102
76 1 13 "Average Difference" CA 9 2.944 2.016 2.276 19102
77 1 13 "Average Difference" CB 7 8.579 -5.590 7.029 19102
78 1 13 "Average Difference" HN 9 0.536 -0.208 0.523 19102
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19102
80 1 14 "Average Difference" HA 11 0.310 -0.048 0.321 19102
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19102
82 1 14 "Average Difference" CA 9 2.979 2.084 2.258 19102
83 1 14 "Average Difference" CB 7 8.629 -5.556 7.132 19102
84 1 14 "Average Difference" HN 9 0.535 -0.204 0.525 19102
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19102
86 1 15 "Average Difference" HA 11 0.307 -0.053 0.317 19102
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19102
88 1 15 "Average Difference" CA 9 2.948 2.028 2.270 19102
89 1 15 "Average Difference" CB 7 8.575 -5.555 7.056 19102
90 1 15 "Average Difference" HN 9 0.536 -0.211 0.522 19102
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19102
92 1 16 "Average Difference" HA 11 0.310 -0.047 0.321 19102
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19102
94 1 16 "Average Difference" CA 9 2.961 2.071 2.244 19102
95 1 16 "Average Difference" CB 7 8.618 -5.548 7.123 19102
96 1 16 "Average Difference" HN 9 0.539 -0.211 0.526 19102
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19102
98 1 17 "Average Difference" HA 11 0.307 -0.052 0.318 19102
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19102
100 1 17 "Average Difference" CA 9 2.957 2.031 2.280 19102
101 1 17 "Average Difference" CB 7 8.579 -5.556 7.060 19102
102 1 17 "Average Difference" HN 9 0.539 -0.213 0.525 19102
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19102
104 1 18 "Average Difference" HA 11 0.310 -0.050 0.321 19102
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19102
106 1 18 "Average Difference" CA 9 2.954 2.023 2.283 19102
107 1 18 "Average Difference" CB 7 8.568 -5.603 7.002 19102
108 1 18 "Average Difference" HN 9 0.536 -0.210 0.524 19102
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19102
110 1 19 "Average Difference" HA 11 0.309 -0.048 0.320 19102
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19102
112 1 19 "Average Difference" CA 9 2.918 2.017 2.236 19102
113 1 19 "Average Difference" CB 7 8.568 -5.505 7.092 19102
114 1 19 "Average Difference" HN 9 0.533 -0.226 0.513 19102
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19102
116 1 20 "Average Difference" HA 11 0.308 -0.049 0.319 19102
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19102
118 1 20 "Average Difference" CA 9 2.947 2.040 2.256 19102
119 1 20 "Average Difference" CB 7 8.574 -5.465 7.137 19102
120 1 20 "Average Difference" HN 9 0.534 -0.226 0.514 19102
121 1 21 "Average Difference" N 0 0.000 0.000 0.000 19102
122 1 21 "Average Difference" HA 11 0.309 -0.048 0.320 19102
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19102
124 1 21 "Average Difference" CA 9 2.941 2.020 2.267 19102
125 1 21 "Average Difference" CB 7 8.564 -5.499 7.092 19102
126 1 21 "Average Difference" HN 9 0.531 -0.222 0.511 19102
127 1 22 "Average Difference" N 0 0.000 0.000 0.000 19102
128 1 22 "Average Difference" HA 11 0.309 -0.048 0.320 19102
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19102
130 1 22 "Average Difference" CA 9 2.971 2.044 2.286 19102
131 1 22 "Average Difference" CB 7 8.575 -5.469 7.134 19102
132 1 22 "Average Difference" HN 9 0.534 -0.226 0.513 19102
133 1 23 "Average Difference" N 0 0.000 0.000 0.000 19102
134 1 23 "Average Difference" HA 11 0.311 -0.043 0.323 19102
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19102
136 1 23 "Average Difference" CA 9 2.967 2.061 2.264 19102
137 1 23 "Average Difference" CB 7 8.635 -5.496 7.194 19102
138 1 23 "Average Difference" HN 9 0.529 -0.218 0.511 19102
139 1 24 "Average Difference" N 0 0.000 0.000 0.000 19102
140 1 24 "Average Difference" HA 11 0.305 -0.056 0.314 19102
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19102
142 1 24 "Average Difference" CA 9 2.956 2.047 2.262 19102
143 1 24 "Average Difference" CB 7 8.578 -5.492 7.117 19102
144 1 24 "Average Difference" HN 9 0.537 -0.226 0.516 19102
145 1 25 "Average Difference" N 0 0.000 0.000 0.000 19102
146 1 25 "Average Difference" HA 11 0.306 -0.054 0.316 19102
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19102
148 1 25 "Average Difference" CA 9 2.959 2.040 2.273 19102
149 1 25 "Average Difference" CB 7 8.569 -5.536 7.065 19102
150 1 25 "Average Difference" HN 9 0.535 -0.224 0.515 19102
151 1 26 "Average Difference" N 0 0.000 0.000 0.000 19102
152 1 26 "Average Difference" HA 11 0.305 -0.054 0.315 19102
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19102
154 1 26 "Average Difference" CA 9 2.950 2.056 2.244 19102
155 1 26 "Average Difference" CB 7 8.565 -5.507 7.085 19102
156 1 26 "Average Difference" HN 9 0.538 -0.228 0.518 19102
157 1 27 "Average Difference" N 0 0.000 0.000 0.000 19102
158 1 27 "Average Difference" HA 11 0.309 -0.049 0.319 19102
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19102
160 1 27 "Average Difference" CA 9 2.935 2.035 2.244 19102
161 1 27 "Average Difference" CB 7 8.580 -5.483 7.128 19102
162 1 27 "Average Difference" HN 9 0.534 -0.224 0.514 19102
163 1 28 "Average Difference" N 0 0.000 0.000 0.000 19102
164 1 28 "Average Difference" HA 11 0.308 -0.050 0.318 19102
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19102
166 1 28 "Average Difference" CA 9 2.927 2.022 2.245 19102
167 1 28 "Average Difference" CB 7 8.577 -5.467 7.139 19102
168 1 28 "Average Difference" HN 9 0.533 -0.224 0.513 19102
169 1 29 "Average Difference" N 0 0.000 0.000 0.000 19102
170 1 29 "Average Difference" HA 11 0.307 -0.052 0.317 19102
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19102
172 1 29 "Average Difference" CA 9 2.998 2.053 2.317 19102
173 1 29 "Average Difference" CB 7 8.574 -5.519 7.088 19102
174 1 29 "Average Difference" HN 9 0.538 -0.227 0.517 19102
175 1 30 "Average Difference" N 0 0.000 0.000 0.000 19102
176 1 30 "Average Difference" HA 11 0.308 -0.049 0.319 19102
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19102
178 1 30 "Average Difference" CA 9 2.950 2.050 2.250 19102
179 1 30 "Average Difference" CB 7 8.571 -5.452 7.143 19102
180 1 30 "Average Difference" HN 9 0.534 -0.226 0.514 19102
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 19102
_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 CYS HA H 2 4.730 4.730 4.866 -0.136 19102
2 1 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.236 -1.806 19102
3 1 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.013 14.077 19102
4 1 . 1 1 2 2 CYS H H 2 8.810 8.810 8.601 0.209 19102
5 1 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.442 -0.042 19102
6 1 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.107 -2.957 19102
7 1 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.420 -0.030 19102
8 1 . 1 1 3 3 ARG H H 3 8.930 8.930 8.677 0.253 19102
9 1 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.442 -0.122 19102
10 1 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.375 -2.565 19102
11 1 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.374 0.246 19102
12 1 . 1 1 4 4 LEU H H 4 8.000 8.000 7.937 0.063 19102
13 1 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.341 -0.173 19102
14 1 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.691 -3.611 19102
15 1 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.373 -0.393 19102
16 1 . 1 1 5 5 ALA H H 5 7.990 7.990 8.518 -0.528 19102
17 1 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102
18 1 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102
19 1 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102
20 1 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102
21 1 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.959 -2.639 19102
22 1 . 1 1 7 7 GLY H H 7 8.350 8.350 7.691 0.659 19102
23 1 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.318 -0.328 19102
24 1 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.245 2.165 19102
25 1 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.603 0.117 19102
26 1 . 1 1 8 8 LEU H H 8 8.980 8.980 7.781 1.199 19102
27 1 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.510 -2.170 19102
28 1 . 1 1 9 9 GLY H H 9 8.380 8.380 7.891 0.489 19102
29 1 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102
30 1 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102
31 1 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102
32 1 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102
stop_
save_