data_19822
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19822
_Entry.PDB_ID 2MLI
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 19822
_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 ILE HA H 2 3.820 3.820 3.454 0.366 19822
2 1 1 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.379 0.051 19822
3 1 1 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.770 -0.000 19822
4 1 1 . 1 1 2 2 ILE H H 2 7.080 7.080 8.104 -1.024 19822
5 1 1 . 1 1 3 3 VAL N N 3 122.980 122.980 118.535 4.445 19822
6 1 1 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.587 -0.047 19822
7 1 1 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.774 0.646 19822
8 1 1 . 1 1 3 3 VAL H H 3 8.190 8.190 7.824 0.366 19822
9 1 1 . 1 1 4 4 GLU N N 4 121.710 121.710 120.837 0.873 19822
10 1 1 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.910 0.130 19822
11 1 1 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.319 -0.319 19822
12 1 1 . 1 1 4 4 GLU H H 4 8.350 8.350 7.862 0.487 19822
13 1 1 . 1 1 5 5 GLN N N 5 110.870 110.870 118.069 -7.199 19822
14 1 1 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.106 -0.116 19822
15 1 1 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.713 -0.373 19822
16 1 1 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.663 0.797 19822
17 1 1 . 1 1 5 5 GLN H H 5 8.260 8.260 7.888 0.372 19822
18 1 1 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.075 12.325 19822
19 1 1 . 1 1 7 7 CYS N N 7 118.590 118.590 120.159 -1.569 19822
20 1 1 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.340 0.500 19822
21 1 1 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.699 -4.729 19822
22 1 1 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.076 11.734 19822
23 1 1 . 1 1 7 7 CYS H H 7 8.160 8.160 8.928 -0.768 19822
24 1 1 . 1 1 8 8 THR HA H 8 3.980 3.980 4.135 -0.155 19822
25 1 1 . 1 1 8 8 THR CA C 8 64.480 64.480 64.834 -0.354 19822
26 1 1 . 1 1 8 8 THR CB C 8 68.600 68.600 69.247 -0.647 19822
27 1 1 . 1 1 8 8 THR H H 8 8.230 8.230 7.898 0.332 19822
28 1 1 . 1 1 9 9 SER HA H 9 4.706 4.706 4.704 0.002 19822
29 1 1 . 1 1 9 9 SER CA C 9 56.480 56.480 56.951 -0.471 19822
30 1 1 . 1 1 9 9 SER CB C 9 64.590 64.590 66.281 -1.692 19822
31 1 1 . 1 1 9 9 SER H H 9 7.320 7.320 7.762 -0.442 19822
32 1 1 . 1 1 10 10 ILE N N 10 117.550 117.550 121.241 -3.691 19822
33 1 1 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.019 0.231 19822
34 1 1 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.159 -0.979 19822
35 1 1 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.219 0.681 19822
36 1 1 . 1 1 10 10 ILE H H 10 7.810 7.810 8.261 -0.451 19822
37 1 1 . 1 1 11 11 CYS H H 11 9.920 9.920 8.796 1.124 19822
38 1 1 . 1 1 12 12 SER HA H 12 4.560 4.560 4.742 -0.182 19822
39 1 1 . 1 1 12 12 SER CA C 12 56.610 56.610 57.068 -0.458 19822
40 1 1 . 1 1 12 12 SER CB C 12 65.750 65.750 65.897 -0.147 19822
41 1 1 . 1 1 13 13 LEU N N 13 121.930 121.930 125.106 -3.176 19822
42 1 1 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.876 -0.086 19822
43 1 1 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.698 0.782 19822
44 1 1 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.590 0.580 19822
45 1 1 . 1 1 13 13 LEU H H 13 8.650 8.650 8.456 0.194 19822
46 1 1 . 1 1 14 14 TYR N N 14 115.930 115.930 115.923 0.007 19822
47 1 1 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.100 0.150 19822
48 1 1 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.128 -1.088 19822
49 1 1 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.577 1.153 19822
50 1 1 . 1 1 14 14 TYR H H 14 7.600 7.600 7.172 0.428 19822
51 1 1 . 1 1 15 15 GLN N N 15 118.260 118.260 116.997 1.263 19822
52 1 1 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822
53 1 1 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.638 -0.168 19822
54 1 1 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.132 1.148 19822
55 1 1 . 1 1 15 15 GLN H H 15 7.430 7.430 7.834 -0.404 19822
56 1 1 . 1 1 16 16 LEU N N 16 119.850 119.850 119.681 0.169 19822
57 1 1 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
58 1 1 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.658 0.292 19822
59 1 1 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.937 0.043 19822
60 1 1 . 1 1 16 16 LEU H H 16 7.870 7.870 8.065 -0.195 19822
61 1 1 . 1 1 17 17 GLU N N 17 116.160 116.160 120.985 -4.825 19822
62 1 1 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.006 0.104 19822
63 1 1 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.186 -0.986 19822
64 1 1 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.227 0.083 19822
65 1 1 . 1 1 17 17 GLU H H 17 8.050 8.050 8.751 -0.701 19822
66 1 1 . 1 1 18 18 ASN N N 18 116.120 116.120 118.431 -2.311 19822
67 1 1 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
68 1 1 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.711 -0.951 19822
69 1 1 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.020 0.550 19822
70 1 1 . 1 1 18 18 ASN H H 18 7.250 7.250 8.213 -0.963 19822
71 1 1 . 1 1 19 19 TYR N N 19 117.010 117.010 115.839 1.171 19822
72 1 1 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822
73 1 1 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.987 2.073 19822
74 1 1 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.898 0.712 19822
75 1 1 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822
76 1 1 . 1 1 20 20 CYS N N 20 116.970 116.970 121.273 -4.303 19822
77 1 1 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.381 0.679 19822
78 1 1 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.052 -5.812 19822
79 1 1 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.625 10.865 19822
80 1 1 . 1 1 20 20 CYS H H 20 7.400 7.400 8.343 -0.943 19822
81 1 2 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.619 0.201 19822
82 1 2 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.610 0.820 19822
83 1 2 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.560 0.209 19822
84 1 2 . 1 1 2 2 ILE H H 2 7.080 7.080 7.823 -0.743 19822
85 1 2 . 1 1 3 3 VAL N N 3 122.980 122.980 119.265 3.715 19822
86 1 2 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.517 0.023 19822
87 1 2 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.210 0.210 19822
88 1 2 . 1 1 3 3 VAL H H 3 8.190 8.190 7.789 0.401 19822
89 1 2 . 1 1 4 4 GLU N N 4 121.710 121.710 120.048 1.662 19822
90 1 2 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.886 0.154 19822
91 1 2 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.414 -0.414 19822
92 1 2 . 1 1 4 4 GLU H H 4 8.350 8.350 8.204 0.146 19822
93 1 2 . 1 1 5 5 GLN N N 5 110.870 110.870 117.991 -7.121 19822
94 1 2 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.112 -0.122 19822
95 1 2 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.751 -0.411 19822
96 1 2 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.718 0.741 19822
97 1 2 . 1 1 5 5 GLN H H 5 8.260 8.260 7.894 0.366 19822
98 1 2 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.059 12.341 19822
99 1 2 . 1 1 7 7 CYS N N 7 118.590 118.590 119.958 -1.368 19822
100 1 2 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.431 0.409 19822
101 1 2 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.699 -4.729 19822
102 1 2 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.160 11.650 19822
103 1 2 . 1 1 7 7 CYS H H 7 8.160 8.160 8.841 -0.681 19822
104 1 2 . 1 1 8 8 THR HA H 8 3.980 3.980 4.258 -0.278 19822
105 1 2 . 1 1 8 8 THR CA C 8 64.480 64.480 64.620 -0.140 19822
106 1 2 . 1 1 8 8 THR CB C 8 68.600 68.600 69.221 -0.621 19822
107 1 2 . 1 1 8 8 THR H H 8 8.230 8.230 7.981 0.249 19822
108 1 2 . 1 1 9 9 SER HA H 9 4.706 4.706 4.728 -0.022 19822
109 1 2 . 1 1 9 9 SER CA C 9 56.480 56.480 56.796 -0.316 19822
110 1 2 . 1 1 9 9 SER CB C 9 64.590 64.590 66.249 -1.659 19822
111 1 2 . 1 1 9 9 SER H H 9 7.320 7.320 7.753 -0.433 19822
112 1 2 . 1 1 10 10 ILE N N 10 117.550 117.550 121.203 -3.653 19822
113 1 2 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.006 0.244 19822
114 1 2 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.216 -1.036 19822
115 1 2 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.165 0.735 19822
116 1 2 . 1 1 10 10 ILE H H 10 7.810 7.810 8.296 -0.486 19822
117 1 2 . 1 1 11 11 CYS H H 11 9.920 9.920 8.803 1.117 19822
118 1 2 . 1 1 12 12 SER HA H 12 4.560 4.560 4.736 -0.176 19822
119 1 2 . 1 1 12 12 SER CA C 12 56.610 56.610 56.803 -0.193 19822
120 1 2 . 1 1 12 12 SER CB C 12 65.750 65.750 65.731 0.019 19822
121 1 2 . 1 1 13 13 LEU N N 13 121.930 121.930 124.809 -2.879 19822
122 1 2 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.857 -0.067 19822
123 1 2 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.711 0.769 19822
124 1 2 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.752 0.417 19822
125 1 2 . 1 1 13 13 LEU H H 13 8.650 8.650 8.460 0.190 19822
126 1 2 . 1 1 14 14 TYR N N 14 115.930 115.930 115.565 0.365 19822
127 1 2 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.050 0.200 19822
128 1 2 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.376 -1.336 19822
129 1 2 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.675 1.055 19822
130 1 2 . 1 1 14 14 TYR H H 14 7.600 7.600 7.237 0.363 19822
131 1 2 . 1 1 15 15 GLN N N 15 118.260 118.260 117.123 1.137 19822
132 1 2 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.980 -0.110 19822
133 1 2 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.588 -0.118 19822
134 1 2 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.210 1.070 19822
135 1 2 . 1 1 15 15 GLN H H 15 7.430 7.430 7.799 -0.369 19822
136 1 2 . 1 1 16 16 LEU N N 16 119.850 119.850 119.698 0.152 19822
137 1 2 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
138 1 2 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.666 0.284 19822
139 1 2 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.949 0.031 19822
140 1 2 . 1 1 16 16 LEU H H 16 7.870 7.870 8.056 -0.186 19822
141 1 2 . 1 1 17 17 GLU N N 17 116.160 116.160 121.002 -4.842 19822
142 1 2 . 1 1 17 17 GLU HA H 17 4.110 4.110 3.998 0.112 19822
143 1 2 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.203 -1.003 19822
144 1 2 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822
145 1 2 . 1 1 17 17 GLU H H 17 8.050 8.050 8.767 -0.717 19822
146 1 2 . 1 1 18 18 ASN N N 18 116.120 116.120 118.434 -2.314 19822
147 1 2 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
148 1 2 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.698 -0.938 19822
149 1 2 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.005 0.565 19822
150 1 2 . 1 1 18 18 ASN H H 18 7.250 7.250 8.205 -0.955 19822
151 1 2 . 1 1 19 19 TYR N N 19 117.010 117.010 115.822 1.188 19822
152 1 2 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.595 -0.265 19822
153 1 2 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.984 2.076 19822
154 1 2 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.897 0.713 19822
155 1 2 . 1 1 19 19 TYR H H 19 7.950 7.950 7.182 0.768 19822
156 1 2 . 1 1 20 20 CYS N N 20 116.970 116.970 121.430 -4.460 19822
157 1 2 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.380 0.680 19822
158 1 2 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.068 -5.828 19822
159 1 2 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.640 10.850 19822
160 1 2 . 1 1 20 20 CYS H H 20 7.400 7.400 8.355 -0.955 19822
161 1 3 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.479 0.341 19822
162 1 3 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.031 0.399 19822
163 1 3 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.803 -0.033 19822
164 1 3 . 1 1 2 2 ILE H H 2 7.080 7.080 8.164 -1.084 19822
165 1 3 . 1 1 3 3 VAL N N 3 122.980 122.980 118.549 4.431 19822
166 1 3 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.476 0.064 19822
167 1 3 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.300 0.120 19822
168 1 3 . 1 1 3 3 VAL H H 3 8.190 8.190 7.839 0.351 19822
169 1 3 . 1 1 4 4 GLU N N 4 121.710 121.710 120.380 1.330 19822
170 1 3 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.883 0.157 19822
171 1 3 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.335 -0.335 19822
172 1 3 . 1 1 4 4 GLU H H 4 8.350 8.350 7.860 0.490 19822
173 1 3 . 1 1 5 5 GLN N N 5 110.870 110.870 118.010 -7.140 19822
174 1 3 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.111 -0.121 19822
175 1 3 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.718 -0.378 19822
176 1 3 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.689 0.771 19822
177 1 3 . 1 1 5 5 GLN H H 5 8.260 8.260 7.857 0.403 19822
178 1 3 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.068 12.332 19822
179 1 3 . 1 1 7 7 CYS N N 7 118.590 118.590 120.000 -1.410 19822
180 1 3 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.430 0.410 19822
181 1 3 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.705 -4.735 19822
182 1 3 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.130 11.680 19822
183 1 3 . 1 1 7 7 CYS H H 7 8.160 8.160 8.835 -0.675 19822
184 1 3 . 1 1 8 8 THR HA H 8 3.980 3.980 4.256 -0.276 19822
185 1 3 . 1 1 8 8 THR CA C 8 64.480 64.480 64.711 -0.231 19822
186 1 3 . 1 1 8 8 THR CB C 8 68.600 68.600 69.250 -0.650 19822
187 1 3 . 1 1 8 8 THR H H 8 8.230 8.230 7.900 0.330 19822
188 1 3 . 1 1 9 9 SER HA H 9 4.706 4.706 4.731 -0.025 19822
189 1 3 . 1 1 9 9 SER CA C 9 56.480 56.480 56.739 -0.259 19822
190 1 3 . 1 1 9 9 SER CB C 9 64.590 64.590 66.234 -1.644 19822
191 1 3 . 1 1 9 9 SER H H 9 7.320 7.320 7.770 -0.450 19822
192 1 3 . 1 1 10 10 ILE N N 10 117.550 117.550 121.250 -3.700 19822
193 1 3 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.005 0.245 19822
194 1 3 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.188 -1.008 19822
195 1 3 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.231 0.669 19822
196 1 3 . 1 1 10 10 ILE H H 10 7.810 7.810 8.290 -0.480 19822
197 1 3 . 1 1 11 11 CYS H H 11 9.920 9.920 8.748 1.172 19822
198 1 3 . 1 1 12 12 SER HA H 12 4.560 4.560 4.724 -0.164 19822
199 1 3 . 1 1 12 12 SER CA C 12 56.610 56.610 57.026 -0.416 19822
200 1 3 . 1 1 12 12 SER CB C 12 65.750 65.750 65.931 -0.181 19822
201 1 3 . 1 1 13 13 LEU N N 13 121.930 121.930 124.008 -2.078 19822
202 1 3 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.822 -0.032 19822
203 1 3 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.954 0.526 19822
204 1 3 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.163 0.007 19822
205 1 3 . 1 1 13 13 LEU H H 13 8.650 8.650 8.538 0.112 19822
206 1 3 . 1 1 14 14 TYR N N 14 115.930 115.930 115.838 0.092 19822
207 1 3 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.105 0.145 19822
208 1 3 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.332 -1.292 19822
209 1 3 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.572 1.159 19822
210 1 3 . 1 1 14 14 TYR H H 14 7.600 7.600 6.997 0.603 19822
211 1 3 . 1 1 15 15 GLN N N 15 118.260 118.260 117.107 1.153 19822
212 1 3 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.980 -0.110 19822
213 1 3 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.577 -0.107 19822
214 1 3 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.207 1.073 19822
215 1 3 . 1 1 15 15 GLN H H 15 7.430 7.430 7.790 -0.360 19822
216 1 3 . 1 1 16 16 LEU N N 16 119.850 119.850 119.701 0.149 19822
217 1 3 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
218 1 3 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.658 0.291 19822
219 1 3 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822
220 1 3 . 1 1 16 16 LEU H H 16 7.870 7.870 8.055 -0.185 19822
221 1 3 . 1 1 17 17 GLU N N 17 116.160 116.160 120.999 -4.839 19822
222 1 3 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.005 0.105 19822
223 1 3 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.191 -0.991 19822
224 1 3 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.225 0.085 19822
225 1 3 . 1 1 17 17 GLU H H 17 8.050 8.050 8.761 -0.711 19822
226 1 3 . 1 1 18 18 ASN N N 18 116.120 116.120 118.426 -2.306 19822
227 1 3 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
228 1 3 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.700 -0.940 19822
229 1 3 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.012 0.558 19822
230 1 3 . 1 1 18 18 ASN H H 18 7.250 7.250 8.209 -0.959 19822
231 1 3 . 1 1 19 19 TYR N N 19 117.010 117.010 115.854 1.156 19822
232 1 3 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.594 -0.264 19822
233 1 3 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.973 2.087 19822
234 1 3 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.891 0.719 19822
235 1 3 . 1 1 19 19 TYR H H 19 7.950 7.950 7.176 0.774 19822
236 1 3 . 1 1 20 20 CYS N N 20 116.970 116.970 121.307 -4.337 19822
237 1 3 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.378 0.682 19822
238 1 3 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.071 -5.831 19822
239 1 3 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.628 10.863 19822
240 1 3 . 1 1 20 20 CYS H H 20 7.400 7.400 8.364 -0.964 19822
241 1 4 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.495 0.325 19822
242 1 4 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.050 0.380 19822
243 1 4 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.806 -0.035 19822
244 1 4 . 1 1 2 2 ILE H H 2 7.080 7.080 8.165 -1.085 19822
245 1 4 . 1 1 3 3 VAL N N 3 122.980 122.980 118.591 4.389 19822
246 1 4 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.476 0.064 19822
247 1 4 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.290 0.130 19822
248 1 4 . 1 1 3 3 VAL H H 3 8.190 8.190 7.832 0.358 19822
249 1 4 . 1 1 4 4 GLU N N 4 121.710 121.710 120.361 1.349 19822
250 1 4 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.881 0.159 19822
251 1 4 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.334 -0.334 19822
252 1 4 . 1 1 4 4 GLU H H 4 8.350 8.350 7.867 0.483 19822
253 1 4 . 1 1 5 5 GLN N N 5 110.870 110.870 118.223 -7.353 19822
254 1 4 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.092 -0.102 19822
255 1 4 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.799 -0.459 19822
256 1 4 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.684 0.776 19822
257 1 4 . 1 1 5 5 GLN H H 5 8.260 8.260 7.875 0.385 19822
258 1 4 . 1 1 6 6 CYS CB C 6 39.400 39.400 26.996 12.404 19822
259 1 4 . 1 1 7 7 CYS N N 7 118.590 118.590 119.452 -0.862 19822
260 1 4 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.396 0.444 19822
261 1 4 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.243 -5.274 19822
262 1 4 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.779 12.031 19822
263 1 4 . 1 1 7 7 CYS H H 7 8.160 8.160 9.061 -0.901 19822
264 1 4 . 1 1 8 8 THR HA H 8 3.980 3.980 4.246 -0.266 19822
265 1 4 . 1 1 8 8 THR CA C 8 64.480 64.480 65.018 -0.538 19822
266 1 4 . 1 1 8 8 THR CB C 8 68.600 68.600 69.175 -0.575 19822
267 1 4 . 1 1 8 8 THR H H 8 8.230 8.230 7.871 0.359 19822
268 1 4 . 1 1 9 9 SER HA H 9 4.706 4.706 4.683 0.023 19822
269 1 4 . 1 1 9 9 SER CA C 9 56.480 56.480 57.337 -0.858 19822
270 1 4 . 1 1 9 9 SER CB C 9 64.590 64.590 66.176 -1.586 19822
271 1 4 . 1 1 9 9 SER H H 9 7.320 7.320 7.793 -0.473 19822
272 1 4 . 1 1 10 10 ILE N N 10 117.550 117.550 121.219 -3.669 19822
273 1 4 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.038 0.212 19822
274 1 4 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.104 -0.924 19822
275 1 4 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.053 0.847 19822
276 1 4 . 1 1 10 10 ILE H H 10 7.810 7.810 8.349 -0.539 19822
277 1 4 . 1 1 11 11 CYS H H 11 9.920 9.920 8.810 1.110 19822
278 1 4 . 1 1 12 12 SER HA H 12 4.560 4.560 4.707 -0.147 19822
279 1 4 . 1 1 12 12 SER CA C 12 56.610 56.610 57.295 -0.685 19822
280 1 4 . 1 1 12 12 SER CB C 12 65.750 65.750 65.546 0.204 19822
281 1 4 . 1 1 13 13 LEU N N 13 121.930 121.930 123.811 -1.881 19822
282 1 4 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.859 -0.069 19822
283 1 4 . 1 1 13 13 LEU CA C 13 58.480 58.480 58.053 0.427 19822
284 1 4 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.223 -0.053 19822
285 1 4 . 1 1 13 13 LEU H H 13 8.650 8.650 8.459 0.191 19822
286 1 4 . 1 1 14 14 TYR N N 14 115.930 115.930 116.206 -0.276 19822
287 1 4 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.012 0.238 19822
288 1 4 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.759 -1.719 19822
289 1 4 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.755 0.975 19822
290 1 4 . 1 1 14 14 TYR H H 14 7.600 7.600 7.038 0.562 19822
291 1 4 . 1 1 15 15 GLN N N 15 118.260 118.260 116.971 1.289 19822
292 1 4 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822
293 1 4 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.648 -0.178 19822
294 1 4 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.111 1.169 19822
295 1 4 . 1 1 15 15 GLN H H 15 7.430 7.430 7.850 -0.420 19822
296 1 4 . 1 1 16 16 LEU N N 16 119.850 119.850 119.623 0.227 19822
297 1 4 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.340 -0.270 19822
298 1 4 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.643 0.307 19822
299 1 4 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.933 0.047 19822
300 1 4 . 1 1 16 16 LEU H H 16 7.870 7.870 8.055 -0.185 19822
301 1 4 . 1 1 17 17 GLU N N 17 116.160 116.160 121.000 -4.840 19822
302 1 4 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.012 0.098 19822
303 1 4 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.174 -0.974 19822
304 1 4 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.236 0.074 19822
305 1 4 . 1 1 17 17 GLU H H 17 8.050 8.050 8.748 -0.698 19822
306 1 4 . 1 1 18 18 ASN N N 18 116.120 116.120 118.441 -2.321 19822
307 1 4 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
308 1 4 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.717 -0.957 19822
309 1 4 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.021 0.549 19822
310 1 4 . 1 1 18 18 ASN H H 18 7.250 7.250 8.224 -0.974 19822
311 1 4 . 1 1 19 19 TYR N N 19 117.010 117.010 115.845 1.165 19822
312 1 4 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.591 -0.261 19822
313 1 4 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.982 2.078 19822
314 1 4 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.900 0.710 19822
315 1 4 . 1 1 19 19 TYR H H 19 7.950 7.950 7.173 0.777 19822
316 1 4 . 1 1 20 20 CYS N N 20 116.970 116.970 121.386 -4.416 19822
317 1 4 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.379 0.681 19822
318 1 4 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.061 -5.821 19822
319 1 4 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.656 10.834 19822
320 1 4 . 1 1 20 20 CYS H H 20 7.400 7.400 8.344 -0.944 19822
321 1 5 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.454 0.366 19822
322 1 5 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.481 -0.051 19822
323 1 5 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.779 -0.009 19822
324 1 5 . 1 1 2 2 ILE H H 2 7.080 7.080 8.160 -1.080 19822
325 1 5 . 1 1 3 3 VAL N N 3 122.980 122.980 119.088 3.892 19822
326 1 5 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.565 -0.025 19822
327 1 5 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.236 0.184 19822
328 1 5 . 1 1 3 3 VAL H H 3 8.190 8.190 7.756 0.434 19822
329 1 5 . 1 1 4 4 GLU N N 4 121.710 121.710 120.358 1.352 19822
330 1 5 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.881 0.159 19822
331 1 5 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.337 -0.337 19822
332 1 5 . 1 1 4 4 GLU H H 4 8.350 8.350 7.836 0.514 19822
333 1 5 . 1 1 5 5 GLN N N 5 110.870 110.870 118.222 -7.352 19822
334 1 5 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.089 -0.099 19822
335 1 5 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.783 -0.443 19822
336 1 5 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.654 0.806 19822
337 1 5 . 1 1 5 5 GLN H H 5 8.260 8.260 7.865 0.395 19822
338 1 5 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.006 12.394 19822
339 1 5 . 1 1 7 7 CYS N N 7 118.590 118.590 119.752 -1.162 19822
340 1 5 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.363 0.477 19822
341 1 5 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.100 -5.130 19822
342 1 5 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.986 11.824 19822
343 1 5 . 1 1 7 7 CYS H H 7 8.160 8.160 8.991 -0.831 19822
344 1 5 . 1 1 8 8 THR HA H 8 3.980 3.980 4.211 -0.231 19822
345 1 5 . 1 1 8 8 THR CA C 8 64.480 64.480 65.289 -0.809 19822
346 1 5 . 1 1 8 8 THR CB C 8 68.600 68.600 69.210 -0.610 19822
347 1 5 . 1 1 8 8 THR H H 8 8.230 8.230 7.864 0.366 19822
348 1 5 . 1 1 9 9 SER HA H 9 4.706 4.706 4.669 0.037 19822
349 1 5 . 1 1 9 9 SER CA C 9 56.480 56.480 56.972 -0.492 19822
350 1 5 . 1 1 9 9 SER CB C 9 64.590 64.590 66.418 -1.828 19822
351 1 5 . 1 1 9 9 SER H H 9 7.320 7.320 7.712 -0.392 19822
352 1 5 . 1 1 10 10 ILE N N 10 117.550 117.550 121.307 -3.757 19822
353 1 5 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.031 0.219 19822
354 1 5 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.225 -1.045 19822
355 1 5 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.352 0.548 19822
356 1 5 . 1 1 10 10 ILE H H 10 7.810 7.810 8.272 -0.462 19822
357 1 5 . 1 1 11 11 CYS H H 11 9.920 9.920 8.730 1.190 19822
358 1 5 . 1 1 12 12 SER HA H 12 4.560 4.560 4.726 -0.166 19822
359 1 5 . 1 1 12 12 SER CA C 12 56.610 56.610 57.284 -0.674 19822
360 1 5 . 1 1 12 12 SER CB C 12 65.750 65.750 65.282 0.468 19822
361 1 5 . 1 1 13 13 LEU N N 13 121.930 121.930 123.698 -1.768 19822
362 1 5 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.860 -0.070 19822
363 1 5 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.924 0.556 19822
364 1 5 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.315 -0.145 19822
365 1 5 . 1 1 13 13 LEU H H 13 8.650 8.650 8.401 0.249 19822
366 1 5 . 1 1 14 14 TYR N N 14 115.930 115.930 116.171 -0.241 19822
367 1 5 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.060 0.190 19822
368 1 5 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.574 -1.534 19822
369 1 5 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.657 1.073 19822
370 1 5 . 1 1 14 14 TYR H H 14 7.600 7.600 6.988 0.612 19822
371 1 5 . 1 1 15 15 GLN N N 15 118.260 118.260 116.994 1.266 19822
372 1 5 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.984 -0.114 19822
373 1 5 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.625 -0.155 19822
374 1 5 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.137 1.143 19822
375 1 5 . 1 1 15 15 GLN H H 15 7.430 7.430 7.828 -0.398 19822
376 1 5 . 1 1 16 16 LEU N N 16 119.850 119.850 119.702 0.148 19822
377 1 5 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.336 -0.266 19822
378 1 5 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.659 0.291 19822
379 1 5 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.931 0.049 19822
380 1 5 . 1 1 16 16 LEU H H 16 7.870 7.870 8.062 -0.192 19822
381 1 5 . 1 1 17 17 GLU N N 17 116.160 116.160 120.971 -4.811 19822
382 1 5 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.006 0.104 19822
383 1 5 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.188 -0.988 19822
384 1 5 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.228 0.082 19822
385 1 5 . 1 1 17 17 GLU H H 17 8.050 8.050 8.755 -0.705 19822
386 1 5 . 1 1 18 18 ASN N N 18 116.120 116.120 118.435 -2.315 19822
387 1 5 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
388 1 5 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.717 -0.957 19822
389 1 5 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.024 0.546 19822
390 1 5 . 1 1 18 18 ASN H H 18 7.250 7.250 8.207 -0.957 19822
391 1 5 . 1 1 19 19 TYR N N 19 117.010 117.010 115.007 2.003 19822
392 1 5 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.578 -0.248 19822
393 1 5 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.345 1.715 19822
394 1 5 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.477 1.133 19822
395 1 5 . 1 1 19 19 TYR H H 19 7.950 7.950 7.194 0.756 19822
396 1 5 . 1 1 20 20 CYS N N 20 116.970 116.970 121.486 -4.516 19822
397 1 5 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.373 0.687 19822
398 1 5 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.062 -5.822 19822
399 1 5 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.591 10.899 19822
400 1 5 . 1 1 20 20 CYS H H 20 7.400 7.400 8.326 -0.926 19822
401 1 6 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.623 0.197 19822
402 1 6 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.567 0.863 19822
403 1 6 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.569 0.201 19822
404 1 6 . 1 1 2 2 ILE H H 2 7.080 7.080 7.828 -0.748 19822
405 1 6 . 1 1 3 3 VAL N N 3 122.980 122.980 119.541 3.439 19822
406 1 6 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.600 -0.060 19822
407 1 6 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.122 0.298 19822
408 1 6 . 1 1 3 3 VAL H H 3 8.190 8.190 7.764 0.426 19822
409 1 6 . 1 1 4 4 GLU N N 4 121.710 121.710 120.373 1.337 19822
410 1 6 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.919 0.121 19822
411 1 6 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.433 -0.433 19822
412 1 6 . 1 1 4 4 GLU H H 4 8.350 8.350 8.372 -0.022 19822
413 1 6 . 1 1 5 5 GLN N N 5 110.870 110.870 118.025 -7.155 19822
414 1 6 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.109 -0.119 19822
415 1 6 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.756 -0.416 19822
416 1 6 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.710 0.750 19822
417 1 6 . 1 1 5 5 GLN H H 5 8.260 8.260 7.910 0.350 19822
418 1 6 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.044 12.356 19822
419 1 6 . 1 1 7 7 CYS N N 7 118.590 118.590 119.724 -1.134 19822
420 1 6 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.366 0.474 19822
421 1 6 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.113 -5.143 19822
422 1 6 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.977 11.833 19822
423 1 6 . 1 1 7 7 CYS H H 7 8.160 8.160 8.993 -0.833 19822
424 1 6 . 1 1 8 8 THR HA H 8 3.980 3.980 4.231 -0.251 19822
425 1 6 . 1 1 8 8 THR CA C 8 64.480 64.480 65.172 -0.692 19822
426 1 6 . 1 1 8 8 THR CB C 8 68.600 68.600 69.203 -0.603 19822
427 1 6 . 1 1 8 8 THR H H 8 8.230 8.230 7.840 0.390 19822
428 1 6 . 1 1 9 9 SER HA H 9 4.706 4.706 4.676 0.030 19822
429 1 6 . 1 1 9 9 SER CA C 9 56.480 56.480 57.271 -0.791 19822
430 1 6 . 1 1 9 9 SER CB C 9 64.590 64.590 66.137 -1.547 19822
431 1 6 . 1 1 9 9 SER H H 9 7.320 7.320 7.789 -0.469 19822
432 1 6 . 1 1 10 10 ILE N N 10 117.550 117.550 121.320 -3.770 19822
433 1 6 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.004 0.246 19822
434 1 6 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.145 -0.965 19822
435 1 6 . 1 1 10 10 ILE CB C 10 38.900 38.900 37.970 0.930 19822
436 1 6 . 1 1 10 10 ILE H H 10 7.810 7.810 8.344 -0.534 19822
437 1 6 . 1 1 11 11 CYS H H 11 9.920 9.920 8.779 1.141 19822
438 1 6 . 1 1 12 12 SER HA H 12 4.560 4.560 4.669 -0.109 19822
439 1 6 . 1 1 12 12 SER CA C 12 56.610 56.610 56.906 -0.296 19822
440 1 6 . 1 1 12 12 SER CB C 12 65.750 65.750 64.997 0.753 19822
441 1 6 . 1 1 13 13 LEU N N 13 121.930 121.930 124.742 -2.812 19822
442 1 6 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.874 -0.084 19822
443 1 6 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.961 0.519 19822
444 1 6 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.763 0.407 19822
445 1 6 . 1 1 13 13 LEU H H 13 8.650 8.650 8.298 0.352 19822
446 1 6 . 1 1 14 14 TYR N N 14 115.930 115.930 115.675 0.255 19822
447 1 6 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.255 -0.005 19822
448 1 6 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.081 -1.041 19822
449 1 6 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.614 1.116 19822
450 1 6 . 1 1 14 14 TYR H H 14 7.600 7.600 7.227 0.373 19822
451 1 6 . 1 1 15 15 GLN N N 15 118.260 118.260 117.135 1.125 19822
452 1 6 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.978 -0.108 19822
453 1 6 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.581 -0.111 19822
454 1 6 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.217 1.063 19822
455 1 6 . 1 1 15 15 GLN H H 15 7.430 7.430 7.793 -0.363 19822
456 1 6 . 1 1 16 16 LEU N N 16 119.850 119.850 119.705 0.145 19822
457 1 6 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822
458 1 6 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.670 0.280 19822
459 1 6 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.948 0.032 19822
460 1 6 . 1 1 16 16 LEU H H 16 7.870 7.870 8.053 -0.182 19822
461 1 6 . 1 1 17 17 GLU N N 17 116.160 116.160 121.000 -4.840 19822
462 1 6 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.000 0.110 19822
463 1 6 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.203 -1.003 19822
464 1 6 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822
465 1 6 . 1 1 17 17 GLU H H 17 8.050 8.050 8.765 -0.715 19822
466 1 6 . 1 1 18 18 ASN N N 18 116.120 116.120 118.422 -2.302 19822
467 1 6 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
468 1 6 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.711 -0.951 19822
469 1 6 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.029 0.541 19822
470 1 6 . 1 1 18 18 ASN H H 18 7.250 7.250 8.213 -0.963 19822
471 1 6 . 1 1 19 19 TYR N N 19 117.010 117.010 115.812 1.198 19822
472 1 6 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.597 -0.267 19822
473 1 6 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.954 2.106 19822
474 1 6 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.894 0.716 19822
475 1 6 . 1 1 19 19 TYR H H 19 7.950 7.950 7.180 0.770 19822
476 1 6 . 1 1 20 20 CYS N N 20 116.970 116.970 121.332 -4.362 19822
477 1 6 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.382 0.678 19822
478 1 6 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.062 -5.822 19822
479 1 6 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.631 10.859 19822
480 1 6 . 1 1 20 20 CYS H H 20 7.400 7.400 8.378 -0.978 19822
481 1 7 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.483 0.337 19822
482 1 7 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.263 0.168 19822
483 1 7 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.819 -0.049 19822
484 1 7 . 1 1 2 2 ILE H H 2 7.080 7.080 8.183 -1.103 19822
485 1 7 . 1 1 3 3 VAL N N 3 122.980 122.980 119.147 3.833 19822
486 1 7 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.557 -0.017 19822
487 1 7 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.233 0.188 19822
488 1 7 . 1 1 3 3 VAL H H 3 8.190 8.190 7.802 0.388 19822
489 1 7 . 1 1 4 4 GLU N N 4 121.710 121.710 120.296 1.414 19822
490 1 7 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.880 0.160 19822
491 1 7 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.321 -0.321 19822
492 1 7 . 1 1 4 4 GLU H H 4 8.350 8.350 7.809 0.541 19822
493 1 7 . 1 1 5 5 GLN N N 5 110.870 110.870 118.064 -7.194 19822
494 1 7 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.109 -0.119 19822
495 1 7 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.728 -0.388 19822
496 1 7 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.680 0.780 19822
497 1 7 . 1 1 5 5 GLN H H 5 8.260 8.260 7.876 0.384 19822
498 1 7 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.043 12.357 19822
499 1 7 . 1 1 7 7 CYS N N 7 118.590 118.590 119.727 -1.137 19822
500 1 7 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.366 0.474 19822
501 1 7 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.041 -5.071 19822
502 1 7 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.983 11.826 19822
503 1 7 . 1 1 7 7 CYS H H 7 8.160 8.160 8.958 -0.798 19822
504 1 7 . 1 1 8 8 THR HA H 8 3.980 3.980 4.254 -0.274 19822
505 1 7 . 1 1 8 8 THR CA C 8 64.480 64.480 64.920 -0.440 19822
506 1 7 . 1 1 8 8 THR CB C 8 68.600 68.600 69.165 -0.565 19822
507 1 7 . 1 1 8 8 THR H H 8 8.230 8.230 7.855 0.375 19822
508 1 7 . 1 1 9 9 SER HA H 9 4.706 4.706 4.726 -0.020 19822
509 1 7 . 1 1 9 9 SER CA C 9 56.480 56.480 56.749 -0.269 19822
510 1 7 . 1 1 9 9 SER CB C 9 64.590 64.590 66.297 -1.707 19822
511 1 7 . 1 1 9 9 SER H H 9 7.320 7.320 7.777 -0.457 19822
512 1 7 . 1 1 10 10 ILE N N 10 117.550 117.550 121.212 -3.662 19822
513 1 7 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.008 0.242 19822
514 1 7 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.216 -1.036 19822
515 1 7 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.186 0.714 19822
516 1 7 . 1 1 10 10 ILE H H 10 7.810 7.810 8.269 -0.459 19822
517 1 7 . 1 1 11 11 CYS H H 11 9.920 9.920 8.782 1.138 19822
518 1 7 . 1 1 12 12 SER HA H 12 4.560 4.560 4.719 -0.159 19822
519 1 7 . 1 1 12 12 SER CA C 12 56.610 56.610 57.259 -0.649 19822
520 1 7 . 1 1 12 12 SER CB C 12 65.750 65.750 65.397 0.353 19822
521 1 7 . 1 1 13 13 LEU N N 13 121.930 121.930 124.654 -2.724 19822
522 1 7 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.872 -0.082 19822
523 1 7 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.813 0.667 19822
524 1 7 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.872 0.298 19822
525 1 7 . 1 1 13 13 LEU H H 13 8.650 8.650 8.320 0.330 19822
526 1 7 . 1 1 14 14 TYR N N 14 115.930 115.930 115.939 -0.009 19822
527 1 7 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.267 -0.017 19822
528 1 7 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.074 -1.034 19822
529 1 7 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.577 1.153 19822
530 1 7 . 1 1 14 14 TYR H H 14 7.600 7.600 7.163 0.437 19822
531 1 7 . 1 1 15 15 GLN N N 15 118.260 118.260 117.000 1.260 19822
532 1 7 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822
533 1 7 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.636 -0.166 19822
534 1 7 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.135 1.145 19822
535 1 7 . 1 1 15 15 GLN H H 15 7.430 7.430 7.836 -0.406 19822
536 1 7 . 1 1 16 16 LEU N N 16 119.850 119.850 119.682 0.168 19822
537 1 7 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
538 1 7 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.652 0.298 19822
539 1 7 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822
540 1 7 . 1 1 16 16 LEU H H 16 7.870 7.870 8.063 -0.193 19822
541 1 7 . 1 1 17 17 GLU N N 17 116.160 116.160 120.974 -4.814 19822
542 1 7 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.005 0.105 19822
543 1 7 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.185 -0.985 19822
544 1 7 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.230 0.080 19822
545 1 7 . 1 1 17 17 GLU H H 17 8.050 8.050 8.751 -0.701 19822
546 1 7 . 1 1 18 18 ASN N N 18 116.120 116.120 118.443 -2.323 19822
547 1 7 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
548 1 7 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.715 -0.955 19822
549 1 7 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.017 0.553 19822
550 1 7 . 1 1 18 18 ASN H H 18 7.250 7.250 8.213 -0.963 19822
551 1 7 . 1 1 19 19 TYR N N 19 117.010 117.010 115.849 1.161 19822
552 1 7 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822
553 1 7 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.983 2.077 19822
554 1 7 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.900 0.710 19822
555 1 7 . 1 1 19 19 TYR H H 19 7.950 7.950 7.174 0.776 19822
556 1 7 . 1 1 20 20 CYS N N 20 116.970 116.970 121.511 -4.541 19822
557 1 7 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.368 0.692 19822
558 1 7 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.109 -5.869 19822
559 1 7 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.579 10.911 19822
560 1 7 . 1 1 20 20 CYS H H 20 7.400 7.400 8.310 -0.910 19822
561 1 8 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.506 0.314 19822
562 1 8 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.109 0.321 19822
563 1 8 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.857 -0.087 19822
564 1 8 . 1 1 2 2 ILE H H 2 7.080 7.080 8.191 -1.111 19822
565 1 8 . 1 1 3 3 VAL N N 3 122.980 122.980 118.728 4.252 19822
566 1 8 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.600 -0.060 19822
567 1 8 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.787 0.633 19822
568 1 8 . 1 1 3 3 VAL H H 3 8.190 8.190 7.861 0.329 19822
569 1 8 . 1 1 4 4 GLU N N 4 121.710 121.710 120.735 0.975 19822
570 1 8 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.925 0.115 19822
571 1 8 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.365 -0.365 19822
572 1 8 . 1 1 4 4 GLU H H 4 8.350 8.350 7.885 0.465 19822
573 1 8 . 1 1 5 5 GLN N N 5 110.870 110.870 117.956 -7.086 19822
574 1 8 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.114 -0.124 19822
575 1 8 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.703 -0.363 19822
576 1 8 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.693 0.767 19822
577 1 8 . 1 1 5 5 GLN H H 5 8.260 8.260 7.864 0.396 19822
578 1 8 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.075 12.325 19822
579 1 8 . 1 1 7 7 CYS N N 7 118.590 118.590 120.152 -1.562 19822
580 1 8 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.342 0.498 19822
581 1 8 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.694 -4.724 19822
582 1 8 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.078 11.732 19822
583 1 8 . 1 1 7 7 CYS H H 7 8.160 8.160 8.909 -0.749 19822
584 1 8 . 1 1 8 8 THR HA H 8 3.980 3.980 4.125 -0.145 19822
585 1 8 . 1 1 8 8 THR CA C 8 64.480 64.480 64.811 -0.331 19822
586 1 8 . 1 1 8 8 THR CB C 8 68.600 68.600 69.229 -0.629 19822
587 1 8 . 1 1 8 8 THR H H 8 8.230 8.230 7.953 0.277 19822
588 1 8 . 1 1 9 9 SER HA H 9 4.706 4.706 4.680 0.026 19822
589 1 8 . 1 1 9 9 SER CA C 9 56.480 56.480 56.889 -0.409 19822
590 1 8 . 1 1 9 9 SER CB C 9 64.590 64.590 66.207 -1.617 19822
591 1 8 . 1 1 9 9 SER H H 9 7.320 7.320 7.714 -0.394 19822
592 1 8 . 1 1 10 10 ILE N N 10 117.550 117.550 121.355 -3.805 19822
593 1 8 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.023 0.227 19822
594 1 8 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.172 -0.992 19822
595 1 8 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.222 0.678 19822
596 1 8 . 1 1 10 10 ILE H H 10 7.810 7.810 8.291 -0.481 19822
597 1 8 . 1 1 11 11 CYS H H 11 9.920 9.920 8.747 1.173 19822
598 1 8 . 1 1 12 12 SER HA H 12 4.560 4.560 4.709 -0.149 19822
599 1 8 . 1 1 12 12 SER CA C 12 56.610 56.610 57.096 -0.486 19822
600 1 8 . 1 1 12 12 SER CB C 12 65.750 65.750 65.055 0.695 19822
601 1 8 . 1 1 13 13 LEU N N 13 121.930 121.930 124.740 -2.810 19822
602 1 8 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.885 -0.095 19822
603 1 8 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.906 0.574 19822
604 1 8 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.817 0.353 19822
605 1 8 . 1 1 13 13 LEU H H 13 8.650 8.650 8.281 0.369 19822
606 1 8 . 1 1 14 14 TYR N N 14 115.930 115.930 115.838 0.092 19822
607 1 8 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.066 0.184 19822
608 1 8 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.306 -1.266 19822
609 1 8 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.608 1.122 19822
610 1 8 . 1 1 14 14 TYR H H 14 7.600 7.600 7.175 0.425 19822
611 1 8 . 1 1 15 15 GLN N N 15 118.260 118.260 117.018 1.242 19822
612 1 8 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.113 19822
613 1 8 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.636 -0.166 19822
614 1 8 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.141 1.139 19822
615 1 8 . 1 1 15 15 GLN H H 15 7.430 7.430 7.830 -0.400 19822
616 1 8 . 1 1 16 16 LEU N N 16 119.850 119.850 119.680 0.170 19822
617 1 8 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822
618 1 8 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.665 0.285 19822
619 1 8 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822
620 1 8 . 1 1 16 16 LEU H H 16 7.870 7.870 8.065 -0.195 19822
621 1 8 . 1 1 17 17 GLU N N 17 116.160 116.160 120.979 -4.819 19822
622 1 8 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.003 0.107 19822
623 1 8 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.191 -0.991 19822
624 1 8 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.224 0.087 19822
625 1 8 . 1 1 17 17 GLU H H 17 8.050 8.050 8.753 -0.703 19822
626 1 8 . 1 1 18 18 ASN N N 18 116.120 116.120 118.435 -2.315 19822
627 1 8 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
628 1 8 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.710 -0.950 19822
629 1 8 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.016 0.554 19822
630 1 8 . 1 1 18 18 ASN H H 18 7.250 7.250 8.206 -0.956 19822
631 1 8 . 1 1 19 19 TYR N N 19 117.010 117.010 115.854 1.156 19822
632 1 8 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822
633 1 8 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.998 2.062 19822
634 1 8 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.900 0.710 19822
635 1 8 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822
636 1 8 . 1 1 20 20 CYS N N 20 116.970 116.970 121.491 -4.521 19822
637 1 8 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.369 0.691 19822
638 1 8 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.095 -5.855 19822
639 1 8 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.576 10.914 19822
640 1 8 . 1 1 20 20 CYS H H 20 7.400 7.400 8.307 -0.907 19822
641 1 9 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.646 0.174 19822
642 1 9 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.789 0.641 19822
643 1 9 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.983 -0.213 19822
644 1 9 . 1 1 2 2 ILE H H 2 7.080 7.080 8.261 -1.181 19822
645 1 9 . 1 1 3 3 VAL N N 3 122.980 122.980 120.637 2.343 19822
646 1 9 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.685 -0.145 19822
647 1 9 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.053 0.367 19822
648 1 9 . 1 1 3 3 VAL H H 3 8.190 8.190 7.702 0.488 19822
649 1 9 . 1 1 4 4 GLU N N 4 121.710 121.710 119.935 1.775 19822
650 1 9 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.922 0.118 19822
651 1 9 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.386 -0.386 19822
652 1 9 . 1 1 4 4 GLU H H 4 8.350 8.350 8.378 -0.028 19822
653 1 9 . 1 1 5 5 GLN N N 5 110.870 110.870 118.049 -7.179 19822
654 1 9 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.104 -0.114 19822
655 1 9 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.785 -0.445 19822
656 1 9 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.708 0.752 19822
657 1 9 . 1 1 5 5 GLN H H 5 8.260 8.260 7.918 0.342 19822
658 1 9 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.042 12.358 19822
659 1 9 . 1 1 7 7 CYS N N 7 118.590 118.590 119.746 -1.156 19822
660 1 9 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.363 0.477 19822
661 1 9 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.087 -5.117 19822
662 1 9 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.979 11.831 19822
663 1 9 . 1 1 7 7 CYS H H 7 8.160 8.160 8.987 -0.827 19822
664 1 9 . 1 1 8 8 THR HA H 8 3.980 3.980 4.223 -0.243 19822
665 1 9 . 1 1 8 8 THR CA C 8 64.480 64.480 65.222 -0.741 19822
666 1 9 . 1 1 8 8 THR CB C 8 68.600 68.600 69.217 -0.617 19822
667 1 9 . 1 1 8 8 THR H H 8 8.230 8.230 7.853 0.377 19822
668 1 9 . 1 1 9 9 SER HA H 9 4.706 4.706 4.681 0.025 19822
669 1 9 . 1 1 9 9 SER CA C 9 56.480 56.480 57.339 -0.859 19822
670 1 9 . 1 1 9 9 SER CB C 9 64.590 64.590 66.168 -1.578 19822
671 1 9 . 1 1 9 9 SER H H 9 7.320 7.320 7.815 -0.495 19822
672 1 9 . 1 1 10 10 ILE N N 10 117.550 117.550 121.230 -3.680 19822
673 1 9 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.008 0.242 19822
674 1 9 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.187 -1.007 19822
675 1 9 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.067 0.833 19822
676 1 9 . 1 1 10 10 ILE H H 10 7.810 7.810 8.338 -0.528 19822
677 1 9 . 1 1 11 11 CYS H H 11 9.920 9.920 8.799 1.121 19822
678 1 9 . 1 1 12 12 SER HA H 12 4.560 4.560 4.726 -0.166 19822
679 1 9 . 1 1 12 12 SER CA C 12 56.610 56.610 56.975 -0.365 19822
680 1 9 . 1 1 12 12 SER CB C 12 65.750 65.750 65.623 0.127 19822
681 1 9 . 1 1 13 13 LEU N N 13 121.930 121.930 124.678 -2.748 19822
682 1 9 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.857 -0.067 19822
683 1 9 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.737 0.743 19822
684 1 9 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.821 0.349 19822
685 1 9 . 1 1 13 13 LEU H H 13 8.650 8.650 8.413 0.237 19822
686 1 9 . 1 1 14 14 TYR N N 14 115.930 115.930 115.619 0.311 19822
687 1 9 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.051 0.199 19822
688 1 9 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.373 -1.333 19822
689 1 9 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.664 1.066 19822
690 1 9 . 1 1 14 14 TYR H H 14 7.600 7.600 7.207 0.393 19822
691 1 9 . 1 1 15 15 GLN N N 15 118.260 118.260 117.083 1.177 19822
692 1 9 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.979 -0.109 19822
693 1 9 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.594 -0.124 19822
694 1 9 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.190 1.090 19822
695 1 9 . 1 1 15 15 GLN H H 15 7.430 7.430 7.801 -0.371 19822
696 1 9 . 1 1 16 16 LEU N N 16 119.850 119.850 119.725 0.125 19822
697 1 9 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
698 1 9 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.665 0.285 19822
699 1 9 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.955 0.026 19822
700 1 9 . 1 1 16 16 LEU H H 16 7.870 7.870 8.056 -0.186 19822
701 1 9 . 1 1 17 17 GLU N N 17 116.160 116.160 120.969 -4.809 19822
702 1 9 . 1 1 17 17 GLU HA H 17 4.110 4.110 3.997 0.113 19822
703 1 9 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.203 -1.003 19822
704 1 9 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822
705 1 9 . 1 1 17 17 GLU H H 17 8.050 8.050 8.767 -0.717 19822
706 1 9 . 1 1 18 18 ASN N N 18 116.120 116.120 118.444 -2.324 19822
707 1 9 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.314 0.096 19822
708 1 9 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.707 -0.947 19822
709 1 9 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.011 0.558 19822
710 1 9 . 1 1 18 18 ASN H H 18 7.250 7.250 8.200 -0.950 19822
711 1 9 . 1 1 19 19 TYR N N 19 117.010 117.010 115.848 1.162 19822
712 1 9 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.590 -0.260 19822
713 1 9 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.007 2.053 19822
714 1 9 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.897 0.713 19822
715 1 9 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822
716 1 9 . 1 1 20 20 CYS N N 20 116.970 116.970 121.481 -4.511 19822
717 1 9 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.371 0.689 19822
718 1 9 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.084 -5.844 19822
719 1 9 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.583 10.907 19822
720 1 9 . 1 1 20 20 CYS H H 20 7.400 7.400 8.296 -0.896 19822
721 1 10 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.462 0.358 19822
722 1 10 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.403 0.027 19822
723 1 10 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.771 -0.001 19822
724 1 10 . 1 1 2 2 ILE H H 2 7.080 7.080 8.097 -1.017 19822
725 1 10 . 1 1 3 3 VAL N N 3 122.980 122.980 118.551 4.429 19822
726 1 10 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.586 -0.046 19822
727 1 10 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.786 0.634 19822
728 1 10 . 1 1 3 3 VAL H H 3 8.190 8.190 7.810 0.380 19822
729 1 10 . 1 1 4 4 GLU N N 4 121.710 121.710 120.832 0.878 19822
730 1 10 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.911 0.129 19822
731 1 10 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.324 -0.324 19822
732 1 10 . 1 1 4 4 GLU H H 4 8.350 8.350 7.877 0.473 19822
733 1 10 . 1 1 5 5 GLN N N 5 110.870 110.870 118.067 -7.197 19822
734 1 10 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.104 -0.114 19822
735 1 10 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.714 -0.374 19822
736 1 10 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.656 0.804 19822
737 1 10 . 1 1 5 5 GLN H H 5 8.260 8.260 7.911 0.349 19822
738 1 10 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.061 12.339 19822
739 1 10 . 1 1 7 7 CYS N N 7 118.590 118.590 119.707 -1.117 19822
740 1 10 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.369 0.471 19822
741 1 10 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.132 -5.162 19822
742 1 10 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.972 11.838 19822
743 1 10 . 1 1 7 7 CYS H H 7 8.160 8.160 8.999 -0.839 19822
744 1 10 . 1 1 8 8 THR HA H 8 3.980 3.980 4.230 -0.250 19822
745 1 10 . 1 1 8 8 THR CA C 8 64.480 64.480 65.285 -0.805 19822
746 1 10 . 1 1 8 8 THR CB C 8 68.600 68.600 69.172 -0.572 19822
747 1 10 . 1 1 8 8 THR H H 8 8.230 8.230 7.892 0.338 19822
748 1 10 . 1 1 9 9 SER HA H 9 4.706 4.706 4.690 0.016 19822
749 1 10 . 1 1 9 9 SER CA C 9 56.480 56.480 56.976 -0.496 19822
750 1 10 . 1 1 9 9 SER CB C 9 64.590 64.590 66.441 -1.851 19822
751 1 10 . 1 1 9 9 SER H H 9 7.320 7.320 7.742 -0.422 19822
752 1 10 . 1 1 10 10 ILE N N 10 117.550 117.550 121.265 -3.715 19822
753 1 10 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.015 0.235 19822
754 1 10 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.175 -0.995 19822
755 1 10 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.187 0.713 19822
756 1 10 . 1 1 10 10 ILE H H 10 7.810 7.810 8.264 -0.454 19822
757 1 10 . 1 1 11 11 CYS H H 11 9.920 9.920 8.792 1.128 19822
758 1 10 . 1 1 12 12 SER HA H 12 4.560 4.560 4.736 -0.176 19822
759 1 10 . 1 1 12 12 SER CA C 12 56.610 56.610 57.212 -0.602 19822
760 1 10 . 1 1 12 12 SER CB C 12 65.750 65.750 65.934 -0.184 19822
761 1 10 . 1 1 13 13 LEU N N 13 121.930 121.930 123.894 -1.964 19822
762 1 10 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.835 -0.045 19822
763 1 10 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.961 0.519 19822
764 1 10 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.175 -0.005 19822
765 1 10 . 1 1 13 13 LEU H H 13 8.650 8.650 8.528 0.122 19822
766 1 10 . 1 1 14 14 TYR N N 14 115.930 115.930 116.068 -0.138 19822
767 1 10 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.119 0.131 19822
768 1 10 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.297 -1.257 19822
769 1 10 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.543 1.187 19822
770 1 10 . 1 1 14 14 TYR H H 14 7.600 7.600 6.966 0.634 19822
771 1 10 . 1 1 15 15 GLN N N 15 118.260 118.260 116.989 1.271 19822
772 1 10 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822
773 1 10 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.648 -0.177 19822
774 1 10 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.123 1.157 19822
775 1 10 . 1 1 15 15 GLN H H 15 7.430 7.430 7.842 -0.412 19822
776 1 10 . 1 1 16 16 LEU N N 16 119.850 119.850 119.662 0.188 19822
777 1 10 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
778 1 10 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.659 0.291 19822
779 1 10 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.940 0.040 19822
780 1 10 . 1 1 16 16 LEU H H 16 7.870 7.870 8.061 -0.191 19822
781 1 10 . 1 1 17 17 GLU N N 17 116.160 116.160 120.999 -4.839 19822
782 1 10 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.008 0.102 19822
783 1 10 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.182 -0.982 19822
784 1 10 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.230 0.080 19822
785 1 10 . 1 1 17 17 GLU H H 17 8.050 8.050 8.753 -0.703 19822
786 1 10 . 1 1 18 18 ASN N N 18 116.120 116.120 118.433 -2.313 19822
787 1 10 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
788 1 10 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.708 -0.948 19822
789 1 10 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.016 0.555 19822
790 1 10 . 1 1 18 18 ASN H H 18 7.250 7.250 8.225 -0.975 19822
791 1 10 . 1 1 19 19 TYR N N 19 117.010 117.010 115.852 1.158 19822
792 1 10 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.593 -0.263 19822
793 1 10 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.981 2.079 19822
794 1 10 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.904 0.706 19822
795 1 10 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822
796 1 10 . 1 1 20 20 CYS N N 20 116.970 116.970 121.245 -4.275 19822
797 1 10 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.379 0.681 19822
798 1 10 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.067 -5.827 19822
799 1 10 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.612 10.878 19822
800 1 10 . 1 1 20 20 CYS H H 20 7.400 7.400 8.358 -0.958 19822
801 1 11 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.616 0.204 19822
802 1 11 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.732 0.698 19822
803 1 11 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.545 0.224 19822
804 1 11 . 1 1 2 2 ILE H H 2 7.080 7.080 7.795 -0.715 19822
805 1 11 . 1 1 3 3 VAL N N 3 122.980 122.980 119.797 3.183 19822
806 1 11 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.717 -0.177 19822
807 1 11 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.742 0.678 19822
808 1 11 . 1 1 3 3 VAL H H 3 8.190 8.190 7.813 0.377 19822
809 1 11 . 1 1 4 4 GLU N N 4 121.710 121.710 120.619 1.091 19822
810 1 11 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.967 0.073 19822
811 1 11 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.499 -0.499 19822
812 1 11 . 1 1 4 4 GLU H H 4 8.350 8.350 8.461 -0.111 19822
813 1 11 . 1 1 5 5 GLN N N 5 110.870 110.870 118.143 -7.273 19822
814 1 11 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.099 -0.109 19822
815 1 11 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.809 -0.469 19822
816 1 11 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.713 0.747 19822
817 1 11 . 1 1 5 5 GLN H H 5 8.260 8.260 7.877 0.383 19822
818 1 11 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.009 12.391 19822
819 1 11 . 1 1 7 7 CYS N N 7 118.590 118.590 119.730 -1.140 19822
820 1 11 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.369 0.471 19822
821 1 11 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.057 -5.087 19822
822 1 11 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.999 11.811 19822
823 1 11 . 1 1 7 7 CYS H H 7 8.160 8.160 8.978 -0.818 19822
824 1 11 . 1 1 8 8 THR HA H 8 3.980 3.980 4.210 -0.230 19822
825 1 11 . 1 1 8 8 THR CA C 8 64.480 64.480 65.331 -0.851 19822
826 1 11 . 1 1 8 8 THR CB C 8 68.600 68.600 69.192 -0.592 19822
827 1 11 . 1 1 8 8 THR H H 8 8.230 8.230 8.002 0.228 19822
828 1 11 . 1 1 9 9 SER HA H 9 4.706 4.706 4.691 0.015 19822
829 1 11 . 1 1 9 9 SER CA C 9 56.480 56.480 56.965 -0.485 19822
830 1 11 . 1 1 9 9 SER CB C 9 64.590 64.590 66.385 -1.795 19822
831 1 11 . 1 1 9 9 SER H H 9 7.320 7.320 7.680 -0.360 19822
832 1 11 . 1 1 10 10 ILE N N 10 117.550 117.550 121.112 -3.562 19822
833 1 11 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.037 0.213 19822
834 1 11 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.263 -1.083 19822
835 1 11 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.484 0.416 19822
836 1 11 . 1 1 10 10 ILE H H 10 7.810 7.810 8.252 -0.442 19822
837 1 11 . 1 1 11 11 CYS H H 11 9.920 9.920 8.716 1.204 19822
838 1 11 . 1 1 12 12 SER HA H 12 4.560 4.560 4.744 -0.184 19822
839 1 11 . 1 1 12 12 SER CA C 12 56.610 56.610 57.394 -0.784 19822
840 1 11 . 1 1 12 12 SER CB C 12 65.750 65.750 65.941 -0.191 19822
841 1 11 . 1 1 13 13 LEU N N 13 121.930 121.930 125.224 -3.294 19822
842 1 11 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.887 -0.097 19822
843 1 11 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.751 0.729 19822
844 1 11 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.533 0.637 19822
845 1 11 . 1 1 13 13 LEU H H 13 8.650 8.650 8.425 0.225 19822
846 1 11 . 1 1 14 14 TYR N N 14 115.930 115.930 116.191 -0.261 19822
847 1 11 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.017 0.233 19822
848 1 11 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.675 -1.635 19822
849 1 11 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.719 1.010 19822
850 1 11 . 1 1 14 14 TYR H H 14 7.600 7.600 7.145 0.455 19822
851 1 11 . 1 1 15 15 GLN N N 15 118.260 118.260 116.973 1.287 19822
852 1 11 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.112 19822
853 1 11 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.646 -0.176 19822
854 1 11 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.113 1.167 19822
855 1 11 . 1 1 15 15 GLN H H 15 7.430 7.430 7.853 -0.423 19822
856 1 11 . 1 1 16 16 LEU N N 16 119.850 119.850 119.657 0.193 19822
857 1 11 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.339 -0.269 19822
858 1 11 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.655 0.295 19822
859 1 11 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.931 0.049 19822
860 1 11 . 1 1 16 16 LEU H H 16 7.870 7.870 8.061 -0.191 19822
861 1 11 . 1 1 17 17 GLU N N 17 116.160 116.160 121.006 -4.846 19822
862 1 11 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.008 0.102 19822
863 1 11 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.186 -0.986 19822
864 1 11 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.230 0.080 19822
865 1 11 . 1 1 17 17 GLU H H 17 8.050 8.050 8.752 -0.702 19822
866 1 11 . 1 1 18 18 ASN N N 18 116.120 116.120 118.435 -2.315 19822
867 1 11 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
868 1 11 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.715 -0.955 19822
869 1 11 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.029 0.541 19822
870 1 11 . 1 1 18 18 ASN H H 18 7.250 7.250 8.228 -0.978 19822
871 1 11 . 1 1 19 19 TYR N N 19 117.010 117.010 115.117 1.893 19822
872 1 11 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.585 -0.255 19822
873 1 11 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.271 1.789 19822
874 1 11 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.501 1.109 19822
875 1 11 . 1 1 19 19 TYR H H 19 7.950 7.950 7.199 0.751 19822
876 1 11 . 1 1 20 20 CYS N N 20 116.970 116.970 121.366 -4.396 19822
877 1 11 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.381 0.679 19822
878 1 11 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.006 -5.766 19822
879 1 11 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.578 10.912 19822
880 1 11 . 1 1 20 20 CYS H H 20 7.400 7.400 8.346 -0.946 19822
881 1 12 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.454 0.366 19822
882 1 12 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.430 0.000 19822
883 1 12 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.775 -0.005 19822
884 1 12 . 1 1 2 2 ILE H H 2 7.080 7.080 8.113 -1.033 19822
885 1 12 . 1 1 3 3 VAL N N 3 122.980 122.980 118.515 4.465 19822
886 1 12 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.587 -0.047 19822
887 1 12 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.750 0.670 19822
888 1 12 . 1 1 3 3 VAL H H 3 8.190 8.190 7.828 0.362 19822
889 1 12 . 1 1 4 4 GLU N N 4 121.710 121.710 120.812 0.898 19822
890 1 12 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.905 0.135 19822
891 1 12 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.309 -0.309 19822
892 1 12 . 1 1 4 4 GLU H H 4 8.350 8.350 7.870 0.480 19822
893 1 12 . 1 1 5 5 GLN N N 5 110.870 110.870 118.059 -7.189 19822
894 1 12 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.105 -0.115 19822
895 1 12 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.717 -0.377 19822
896 1 12 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.668 0.792 19822
897 1 12 . 1 1 5 5 GLN H H 5 8.260 8.260 7.856 0.404 19822
898 1 12 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.053 12.347 19822
899 1 12 . 1 1 7 7 CYS N N 7 118.590 118.590 120.157 -1.567 19822
900 1 12 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.336 0.504 19822
901 1 12 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.723 -4.753 19822
902 1 12 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.073 11.737 19822
903 1 12 . 1 1 7 7 CYS H H 7 8.160 8.160 8.945 -0.785 19822
904 1 12 . 1 1 8 8 THR HA H 8 3.980 3.980 4.128 -0.148 19822
905 1 12 . 1 1 8 8 THR CA C 8 64.480 64.480 64.796 -0.316 19822
906 1 12 . 1 1 8 8 THR CB C 8 68.600 68.600 69.245 -0.645 19822
907 1 12 . 1 1 8 8 THR H H 8 8.230 8.230 7.877 0.353 19822
908 1 12 . 1 1 9 9 SER HA H 9 4.706 4.706 4.685 0.021 19822
909 1 12 . 1 1 9 9 SER CA C 9 56.480 56.480 57.097 -0.617 19822
910 1 12 . 1 1 9 9 SER CB C 9 64.590 64.590 66.431 -1.842 19822
911 1 12 . 1 1 9 9 SER H H 9 7.320 7.320 7.727 -0.407 19822
912 1 12 . 1 1 10 10 ILE N N 10 117.550 117.550 121.313 -3.763 19822
913 1 12 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.019 0.231 19822
914 1 12 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.177 -0.997 19822
915 1 12 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.218 0.682 19822
916 1 12 . 1 1 10 10 ILE H H 10 7.810 7.810 8.267 -0.457 19822
917 1 12 . 1 1 11 11 CYS H H 11 9.920 9.920 8.797 1.123 19822
918 1 12 . 1 1 12 12 SER HA H 12 4.560 4.560 4.736 -0.176 19822
919 1 12 . 1 1 12 12 SER CA C 12 56.610 56.610 56.813 -0.203 19822
920 1 12 . 1 1 12 12 SER CB C 12 65.750 65.750 65.729 0.021 19822
921 1 12 . 1 1 13 13 LEU N N 13 121.930 121.930 124.800 -2.870 19822
922 1 12 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.856 -0.066 19822
923 1 12 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.711 0.769 19822
924 1 12 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.757 0.413 19822
925 1 12 . 1 1 13 13 LEU H H 13 8.650 8.650 8.457 0.193 19822
926 1 12 . 1 1 14 14 TYR N N 14 115.930 115.930 115.589 0.341 19822
927 1 12 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.072 0.178 19822
928 1 12 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.266 -1.226 19822
929 1 12 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.644 1.086 19822
930 1 12 . 1 1 14 14 TYR H H 14 7.600 7.600 7.234 0.366 19822
931 1 12 . 1 1 15 15 GLN N N 15 118.260 118.260 117.139 1.121 19822
932 1 12 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.978 -0.108 19822
933 1 12 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.586 -0.116 19822
934 1 12 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.212 1.068 19822
935 1 12 . 1 1 15 15 GLN H H 15 7.430 7.430 7.798 -0.368 19822
936 1 12 . 1 1 16 16 LEU N N 16 119.850 119.850 119.695 0.155 19822
937 1 12 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
938 1 12 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.670 0.280 19822
939 1 12 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.943 0.037 19822
940 1 12 . 1 1 16 16 LEU H H 16 7.870 7.870 8.057 -0.187 19822
941 1 12 . 1 1 17 17 GLU N N 17 116.160 116.160 121.006 -4.846 19822
942 1 12 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.003 0.107 19822
943 1 12 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.196 -0.996 19822
944 1 12 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.223 0.087 19822
945 1 12 . 1 1 17 17 GLU H H 17 8.050 8.050 8.767 -0.717 19822
946 1 12 . 1 1 18 18 ASN N N 18 116.120 116.120 118.429 -2.309 19822
947 1 12 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
948 1 12 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.711 -0.951 19822
949 1 12 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.028 0.542 19822
950 1 12 . 1 1 18 18 ASN H H 18 7.250 7.250 8.231 -0.981 19822
951 1 12 . 1 1 19 19 TYR N N 19 117.010 117.010 115.816 1.194 19822
952 1 12 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.596 -0.266 19822
953 1 12 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.955 2.105 19822
954 1 12 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.886 0.724 19822
955 1 12 . 1 1 19 19 TYR H H 19 7.950 7.950 7.084 0.866 19822
956 1 12 . 1 1 20 20 CYS N N 20 116.970 116.970 121.538 -4.568 19822
957 1 12 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.385 0.675 19822
958 1 12 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.022 -5.782 19822
959 1 12 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.593 10.896 19822
960 1 12 . 1 1 20 20 CYS H H 20 7.400 7.400 8.352 -0.952 19822
961 1 13 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.596 0.224 19822
962 1 13 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.921 0.509 19822
963 1 13 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.470 0.300 19822
964 1 13 . 1 1 2 2 ILE H H 2 7.080 7.080 7.807 -0.727 19822
965 1 13 . 1 1 3 3 VAL N N 3 122.980 122.980 119.639 3.341 19822
966 1 13 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.584 -0.044 19822
967 1 13 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.182 0.238 19822
968 1 13 . 1 1 3 3 VAL H H 3 8.190 8.190 7.780 0.410 19822
969 1 13 . 1 1 4 4 GLU N N 4 121.710 121.710 120.024 1.686 19822
970 1 13 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.887 0.153 19822
971 1 13 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.382 -0.382 19822
972 1 13 . 1 1 4 4 GLU H H 4 8.350 8.350 8.067 0.283 19822
973 1 13 . 1 1 5 5 GLN N N 5 110.870 110.870 117.997 -7.127 19822
974 1 13 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.110 -0.120 19822
975 1 13 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.735 -0.395 19822
976 1 13 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.697 0.763 19822
977 1 13 . 1 1 5 5 GLN H H 5 8.260 8.260 7.901 0.359 19822
978 1 13 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.047 12.353 19822
979 1 13 . 1 1 7 7 CYS N N 7 118.590 118.590 119.747 -1.157 19822
980 1 13 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.369 0.471 19822
981 1 13 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.004 -5.034 19822
982 1 13 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.004 11.806 19822
983 1 13 . 1 1 7 7 CYS H H 7 8.160 8.160 8.956 -0.796 19822
984 1 13 . 1 1 8 8 THR HA H 8 3.980 3.980 4.231 -0.251 19822
985 1 13 . 1 1 8 8 THR CA C 8 64.480 64.480 65.011 -0.531 19822
986 1 13 . 1 1 8 8 THR CB C 8 68.600 68.600 69.185 -0.585 19822
987 1 13 . 1 1 8 8 THR H H 8 8.230 8.230 7.843 0.387 19822
988 1 13 . 1 1 9 9 SER HA H 9 4.706 4.706 4.699 0.007 19822
989 1 13 . 1 1 9 9 SER CA C 9 56.480 56.480 57.064 -0.584 19822
990 1 13 . 1 1 9 9 SER CB C 9 64.590 64.590 66.642 -2.052 19822
991 1 13 . 1 1 9 9 SER H H 9 7.320 7.320 7.710 -0.390 19822
992 1 13 . 1 1 10 10 ILE N N 10 117.550 117.550 121.272 -3.722 19822
993 1 13 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.018 0.232 19822
994 1 13 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.224 -1.044 19822
995 1 13 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.278 0.622 19822
996 1 13 . 1 1 10 10 ILE H H 10 7.810 7.810 8.258 -0.448 19822
997 1 13 . 1 1 11 11 CYS H H 11 9.920 9.920 8.783 1.137 19822
998 1 13 . 1 1 12 12 SER HA H 12 4.560 4.560 4.728 -0.168 19822
999 1 13 . 1 1 12 12 SER CA C 12 56.610 56.610 56.991 -0.381 19822
1000 1 13 . 1 1 12 12 SER CB C 12 65.750 65.750 65.627 0.123 19822
1001 1 13 . 1 1 13 13 LEU N N 13 121.930 121.930 124.667 -2.737 19822
1002 1 13 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.857 -0.067 19822
1003 1 13 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.745 0.735 19822
1004 1 13 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.823 0.347 19822
1005 1 13 . 1 1 13 13 LEU H H 13 8.650 8.650 8.415 0.235 19822
1006 1 13 . 1 1 14 14 TYR N N 14 115.930 115.930 115.808 0.122 19822
1007 1 13 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.261 -0.011 19822
1008 1 13 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.101 -1.061 19822
1009 1 13 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.607 1.123 19822
1010 1 13 . 1 1 14 14 TYR H H 14 7.600 7.600 7.218 0.382 19822
1011 1 13 . 1 1 15 15 GLN N N 15 118.260 118.260 117.066 1.194 19822
1012 1 13 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.111 19822
1013 1 13 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.605 -0.135 19822
1014 1 13 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.178 1.102 19822
1015 1 13 . 1 1 15 15 GLN H H 15 7.430 7.430 7.806 -0.376 19822
1016 1 13 . 1 1 16 16 LEU N N 16 119.850 119.850 119.691 0.159 19822
1017 1 13 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.339 -0.269 19822
1018 1 13 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.654 0.296 19822
1019 1 13 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.947 0.033 19822
1020 1 13 . 1 1 16 16 LEU H H 16 7.870 7.870 8.053 -0.183 19822
1021 1 13 . 1 1 17 17 GLU N N 17 116.160 116.160 121.000 -4.840 19822
1022 1 13 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.002 0.108 19822
1023 1 13 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.197 -0.997 19822
1024 1 13 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.223 0.087 19822
1025 1 13 . 1 1 17 17 GLU H H 17 8.050 8.050 8.765 -0.715 19822
1026 1 13 . 1 1 18 18 ASN N N 18 116.120 116.120 118.429 -2.309 19822
1027 1 13 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
1028 1 13 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822
1029 1 13 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.017 0.553 19822
1030 1 13 . 1 1 18 18 ASN H H 18 7.250 7.250 8.208 -0.958 19822
1031 1 13 . 1 1 19 19 TYR N N 19 117.010 117.010 115.818 1.192 19822
1032 1 13 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.594 -0.264 19822
1033 1 13 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.965 2.095 19822
1034 1 13 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.893 0.717 19822
1035 1 13 . 1 1 19 19 TYR H H 19 7.950 7.950 7.175 0.775 19822
1036 1 13 . 1 1 20 20 CYS N N 20 116.970 116.970 121.412 -4.442 19822
1037 1 13 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.385 0.675 19822
1038 1 13 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.038 -5.798 19822
1039 1 13 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.648 10.842 19822
1040 1 13 . 1 1 20 20 CYS H H 20 7.400 7.400 8.365 -0.965 19822
1041 1 14 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.468 0.352 19822
1042 1 14 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.502 -0.072 19822
1043 1 14 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.778 -0.007 19822
1044 1 14 . 1 1 2 2 ILE H H 2 7.080 7.080 8.158 -1.078 19822
1045 1 14 . 1 1 3 3 VAL N N 3 122.980 122.980 119.118 3.862 19822
1046 1 14 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.558 -0.018 19822
1047 1 14 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.234 0.186 19822
1048 1 14 . 1 1 3 3 VAL H H 3 8.190 8.190 7.757 0.433 19822
1049 1 14 . 1 1 4 4 GLU N N 4 121.710 121.710 120.316 1.394 19822
1050 1 14 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.877 0.163 19822
1051 1 14 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.339 -0.339 19822
1052 1 14 . 1 1 4 4 GLU H H 4 8.350 8.350 7.841 0.509 19822
1053 1 14 . 1 1 5 5 GLN N N 5 110.870 110.870 118.230 -7.360 19822
1054 1 14 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.090 -0.100 19822
1055 1 14 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.780 -0.440 19822
1056 1 14 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.663 0.797 19822
1057 1 14 . 1 1 5 5 GLN H H 5 8.260 8.260 7.877 0.384 19822
1058 1 14 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.005 12.395 19822
1059 1 14 . 1 1 7 7 CYS N N 7 118.590 118.590 119.521 -0.931 19822
1060 1 14 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.396 0.444 19822
1061 1 14 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.294 -5.324 19822
1062 1 14 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.777 12.033 19822
1063 1 14 . 1 1 7 7 CYS H H 7 8.160 8.160 9.065 -0.905 19822
1064 1 14 . 1 1 8 8 THR HA H 8 3.980 3.980 4.228 -0.248 19822
1065 1 14 . 1 1 8 8 THR CA C 8 64.480 64.480 65.124 -0.644 19822
1066 1 14 . 1 1 8 8 THR CB C 8 68.600 68.600 69.174 -0.574 19822
1067 1 14 . 1 1 8 8 THR H H 8 8.230 8.230 7.908 0.322 19822
1068 1 14 . 1 1 9 9 SER HA H 9 4.706 4.706 4.671 0.035 19822
1069 1 14 . 1 1 9 9 SER CA C 9 56.480 56.480 56.949 -0.469 19822
1070 1 14 . 1 1 9 9 SER CB C 9 64.590 64.590 66.440 -1.850 19822
1071 1 14 . 1 1 9 9 SER H H 9 7.320 7.320 7.710 -0.390 19822
1072 1 14 . 1 1 10 10 ILE N N 10 117.550 117.550 121.348 -3.798 19822
1073 1 14 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.024 0.226 19822
1074 1 14 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.136 -0.956 19822
1075 1 14 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.193 0.707 19822
1076 1 14 . 1 1 10 10 ILE H H 10 7.810 7.810 8.283 -0.473 19822
1077 1 14 . 1 1 11 11 CYS H H 11 9.920 9.920 8.793 1.127 19822
1078 1 14 . 1 1 12 12 SER HA H 12 4.560 4.560 4.751 -0.191 19822
1079 1 14 . 1 1 12 12 SER CA C 12 56.610 56.610 56.827 -0.217 19822
1080 1 14 . 1 1 12 12 SER CB C 12 65.750 65.750 65.760 -0.010 19822
1081 1 14 . 1 1 13 13 LEU N N 13 121.930 121.930 123.882 -1.952 19822
1082 1 14 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.830 -0.040 19822
1083 1 14 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.911 0.569 19822
1084 1 14 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.214 -0.044 19822
1085 1 14 . 1 1 13 13 LEU H H 13 8.650 8.650 8.492 0.158 19822
1086 1 14 . 1 1 14 14 TYR N N 14 115.930 115.930 115.970 -0.040 19822
1087 1 14 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.121 0.129 19822
1088 1 14 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.277 -1.237 19822
1089 1 14 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.543 1.187 19822
1090 1 14 . 1 1 14 14 TYR H H 14 7.600 7.600 6.976 0.624 19822
1091 1 14 . 1 1 15 15 GLN N N 15 118.260 118.260 117.025 1.235 19822
1092 1 14 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.112 19822
1093 1 14 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.621 -0.151 19822
1094 1 14 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.150 1.130 19822
1095 1 14 . 1 1 15 15 GLN H H 15 7.430 7.430 7.819 -0.389 19822
1096 1 14 . 1 1 16 16 LEU N N 16 119.850 119.850 119.688 0.162 19822
1097 1 14 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
1098 1 14 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.666 0.284 19822
1099 1 14 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.937 0.043 19822
1100 1 14 . 1 1 16 16 LEU H H 16 7.870 7.870 8.063 -0.193 19822
1101 1 14 . 1 1 17 17 GLU N N 17 116.160 116.160 120.986 -4.826 19822
1102 1 14 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.007 0.103 19822
1103 1 14 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.186 -0.986 19822
1104 1 14 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.229 0.081 19822
1105 1 14 . 1 1 17 17 GLU H H 17 8.050 8.050 8.754 -0.704 19822
1106 1 14 . 1 1 18 18 ASN N N 18 116.120 116.120 118.440 -2.320 19822
1107 1 14 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.313 0.097 19822
1108 1 14 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.708 -0.948 19822
1109 1 14 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.013 0.557 19822
1110 1 14 . 1 1 18 18 ASN H H 18 7.250 7.250 8.215 -0.965 19822
1111 1 14 . 1 1 19 19 TYR N N 19 117.010 117.010 115.846 1.164 19822
1112 1 14 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.590 -0.260 19822
1113 1 14 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.994 2.066 19822
1114 1 14 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.894 0.716 19822
1115 1 14 . 1 1 19 19 TYR H H 19 7.950 7.950 7.177 0.773 19822
1116 1 14 . 1 1 20 20 CYS N N 20 116.970 116.970 121.406 -4.436 19822
1117 1 14 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.377 0.683 19822
1118 1 14 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.053 -5.813 19822
1119 1 14 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.588 10.902 19822
1120 1 14 . 1 1 20 20 CYS H H 20 7.400 7.400 8.328 -0.928 19822
1121 1 15 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.518 0.302 19822
1122 1 15 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.093 0.337 19822
1123 1 15 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.843 -0.073 19822
1124 1 15 . 1 1 2 2 ILE H H 2 7.080 7.080 8.145 -1.065 19822
1125 1 15 . 1 1 3 3 VAL N N 3 122.980 122.980 118.860 4.120 19822
1126 1 15 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.600 -0.060 19822
1127 1 15 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.787 0.633 19822
1128 1 15 . 1 1 3 3 VAL H H 3 8.190 8.190 7.868 0.322 19822
1129 1 15 . 1 1 4 4 GLU N N 4 121.710 121.710 120.694 1.016 19822
1130 1 15 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.927 0.113 19822
1131 1 15 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.379 -0.379 19822
1132 1 15 . 1 1 4 4 GLU H H 4 8.350 8.350 7.950 0.400 19822
1133 1 15 . 1 1 5 5 GLN N N 5 110.870 110.870 118.037 -7.167 19822
1134 1 15 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.110 -0.120 19822
1135 1 15 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.739 -0.399 19822
1136 1 15 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.696 0.764 19822
1137 1 15 . 1 1 5 5 GLN H H 5 8.260 8.260 7.862 0.398 19822
1138 1 15 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.080 12.320 19822
1139 1 15 . 1 1 7 7 CYS N N 7 118.590 118.590 120.201 -1.611 19822
1140 1 15 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.402 0.438 19822
1141 1 15 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.572 -4.602 19822
1142 1 15 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.159 11.651 19822
1143 1 15 . 1 1 7 7 CYS H H 7 8.160 8.160 8.772 -0.612 19822
1144 1 15 . 1 1 8 8 THR HA H 8 3.980 3.980 4.175 -0.195 19822
1145 1 15 . 1 1 8 8 THR CA C 8 64.480 64.480 64.624 -0.144 19822
1146 1 15 . 1 1 8 8 THR CB C 8 68.600 68.600 69.316 -0.716 19822
1147 1 15 . 1 1 8 8 THR H H 8 8.230 8.230 7.963 0.267 19822
1148 1 15 . 1 1 9 9 SER HA H 9 4.706 4.706 4.723 -0.017 19822
1149 1 15 . 1 1 9 9 SER CA C 9 56.480 56.480 56.823 -0.343 19822
1150 1 15 . 1 1 9 9 SER CB C 9 64.590 64.590 66.017 -1.427 19822
1151 1 15 . 1 1 9 9 SER H H 9 7.320 7.320 7.824 -0.504 19822
1152 1 15 . 1 1 10 10 ILE N N 10 117.550 117.550 121.318 -3.768 19822
1153 1 15 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.038 0.212 19822
1154 1 15 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.119 -0.939 19822
1155 1 15 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.162 0.738 19822
1156 1 15 . 1 1 10 10 ILE H H 10 7.810 7.810 8.313 -0.503 19822
1157 1 15 . 1 1 11 11 CYS H H 11 9.920 9.920 8.820 1.100 19822
1158 1 15 . 1 1 12 12 SER HA H 12 4.560 4.560 4.704 -0.144 19822
1159 1 15 . 1 1 12 12 SER CA C 12 56.610 56.610 56.964 -0.354 19822
1160 1 15 . 1 1 12 12 SER CB C 12 65.750 65.750 65.107 0.643 19822
1161 1 15 . 1 1 13 13 LEU N N 13 121.930 121.930 125.027 -3.097 19822
1162 1 15 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.901 -0.111 19822
1163 1 15 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.981 0.499 19822
1164 1 15 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.685 0.485 19822
1165 1 15 . 1 1 13 13 LEU H H 13 8.650 8.650 8.290 0.360 19822
1166 1 15 . 1 1 14 14 TYR N N 14 115.930 115.930 116.139 -0.209 19822
1167 1 15 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.017 0.233 19822
1168 1 15 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.675 -1.635 19822
1169 1 15 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.738 0.992 19822
1170 1 15 . 1 1 14 14 TYR H H 14 7.600 7.600 7.168 0.432 19822
1171 1 15 . 1 1 15 15 GLN N N 15 118.260 118.260 116.991 1.269 19822
1172 1 15 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.112 19822
1173 1 15 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.635 -0.165 19822
1174 1 15 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.131 1.149 19822
1175 1 15 . 1 1 15 15 GLN H H 15 7.430 7.430 7.837 -0.407 19822
1176 1 15 . 1 1 16 16 LEU N N 16 119.850 119.850 119.698 0.152 19822
1177 1 15 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.336 -0.266 19822
1178 1 15 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.664 0.286 19822
1179 1 15 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.938 0.042 19822
1180 1 15 . 1 1 16 16 LEU H H 16 7.870 7.870 8.060 -0.190 19822
1181 1 15 . 1 1 17 17 GLU N N 17 116.160 116.160 120.974 -4.814 19822
1182 1 15 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.002 0.108 19822
1183 1 15 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.193 -0.993 19822
1184 1 15 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.220 0.090 19822
1185 1 15 . 1 1 17 17 GLU H H 17 8.050 8.050 8.757 -0.707 19822
1186 1 15 . 1 1 18 18 ASN N N 18 116.120 116.120 118.426 -2.306 19822
1187 1 15 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
1188 1 15 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822
1189 1 15 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.020 0.550 19822
1190 1 15 . 1 1 18 18 ASN H H 18 7.250 7.250 8.203 -0.953 19822
1191 1 15 . 1 1 19 19 TYR N N 19 117.010 117.010 114.905 2.105 19822
1192 1 15 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.571 -0.241 19822
1193 1 15 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.338 1.722 19822
1194 1 15 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.390 1.220 19822
1195 1 15 . 1 1 19 19 TYR H H 19 7.950 7.950 7.215 0.735 19822
1196 1 15 . 1 1 20 20 CYS N N 20 116.970 116.970 121.473 -4.503 19822
1197 1 15 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.374 0.686 19822
1198 1 15 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.028 -5.788 19822
1199 1 15 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.625 10.865 19822
1200 1 15 . 1 1 20 20 CYS H H 20 7.400 7.400 8.309 -0.909 19822
1201 1 16 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.489 0.331 19822
1202 1 16 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.092 0.339 19822
1203 1 16 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.811 -0.041 19822
1204 1 16 . 1 1 2 2 ILE H H 2 7.080 7.080 8.191 -1.111 19822
1205 1 16 . 1 1 3 3 VAL N N 3 122.980 122.980 118.728 4.252 19822
1206 1 16 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.654 -0.114 19822
1207 1 16 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.865 0.555 19822
1208 1 16 . 1 1 3 3 VAL H H 3 8.190 8.190 7.785 0.405 19822
1209 1 16 . 1 1 4 4 GLU N N 4 121.710 121.710 121.156 0.554 19822
1210 1 16 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.919 0.121 19822
1211 1 16 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.319 -0.319 19822
1212 1 16 . 1 1 4 4 GLU H H 4 8.350 8.350 7.867 0.483 19822
1213 1 16 . 1 1 5 5 GLN N N 5 110.870 110.870 118.101 -7.231 19822
1214 1 16 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.111 -0.121 19822
1215 1 16 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.744 -0.404 19822
1216 1 16 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.658 0.802 19822
1217 1 16 . 1 1 5 5 GLN H H 5 8.260 8.260 7.907 0.353 19822
1218 1 16 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.003 12.397 19822
1219 1 16 . 1 1 7 7 CYS N N 7 118.590 118.590 119.760 -1.170 19822
1220 1 16 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.365 0.475 19822
1221 1 16 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.059 -5.089 19822
1222 1 16 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.997 11.813 19822
1223 1 16 . 1 1 7 7 CYS H H 7 8.160 8.160 8.968 -0.808 19822
1224 1 16 . 1 1 8 8 THR HA H 8 3.980 3.980 4.188 -0.208 19822
1225 1 16 . 1 1 8 8 THR CA C 8 64.480 64.480 65.380 -0.900 19822
1226 1 16 . 1 1 8 8 THR CB C 8 68.600 68.600 69.207 -0.607 19822
1227 1 16 . 1 1 8 8 THR H H 8 8.230 8.230 7.982 0.248 19822
1228 1 16 . 1 1 9 9 SER HA H 9 4.706 4.706 4.679 0.027 19822
1229 1 16 . 1 1 9 9 SER CA C 9 56.480 56.480 57.123 -0.643 19822
1230 1 16 . 1 1 9 9 SER CB C 9 64.590 64.590 66.470 -1.880 19822
1231 1 16 . 1 1 9 9 SER H H 9 7.320 7.320 7.679 -0.359 19822
1232 1 16 . 1 1 10 10 ILE N N 10 117.550 117.550 121.106 -3.556 19822
1233 1 16 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.042 0.208 19822
1234 1 16 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.241 -1.061 19822
1235 1 16 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.506 0.394 19822
1236 1 16 . 1 1 10 10 ILE H H 10 7.810 7.810 8.247 -0.437 19822
1237 1 16 . 1 1 11 11 CYS H H 11 9.920 9.920 8.687 1.233 19822
1238 1 16 . 1 1 12 12 SER HA H 12 4.560 4.560 4.725 -0.165 19822
1239 1 16 . 1 1 12 12 SER CA C 12 56.610 56.610 57.253 -0.643 19822
1240 1 16 . 1 1 12 12 SER CB C 12 65.750 65.750 65.424 0.326 19822
1241 1 16 . 1 1 13 13 LEU N N 13 121.930 121.930 125.193 -3.263 19822
1242 1 16 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.905 -0.115 19822
1243 1 16 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.941 0.539 19822
1244 1 16 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.604 0.566 19822
1245 1 16 . 1 1 13 13 LEU H H 13 8.650 8.650 8.324 0.326 19822
1246 1 16 . 1 1 14 14 TYR N N 14 115.930 115.930 115.793 0.137 19822
1247 1 16 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.079 0.171 19822
1248 1 16 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.241 -1.201 19822
1249 1 16 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.603 1.127 19822
1250 1 16 . 1 1 14 14 TYR H H 14 7.600 7.600 7.183 0.417 19822
1251 1 16 . 1 1 15 15 GLN N N 15 118.260 118.260 117.038 1.222 19822
1252 1 16 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.985 -0.115 19822
1253 1 16 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.613 -0.143 19822
1254 1 16 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.167 1.113 19822
1255 1 16 . 1 1 15 15 GLN H H 15 7.430 7.430 7.825 -0.395 19822
1256 1 16 . 1 1 16 16 LEU N N 16 119.850 119.850 119.702 0.148 19822
1257 1 16 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822
1258 1 16 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.668 0.282 19822
1259 1 16 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.942 0.038 19822
1260 1 16 . 1 1 16 16 LEU H H 16 7.870 7.870 8.158 -0.288 19822
1261 1 16 . 1 1 17 17 GLU N N 17 116.160 116.160 120.989 -4.829 19822
1262 1 16 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.001 0.109 19822
1263 1 16 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.201 -1.001 19822
1264 1 16 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822
1265 1 16 . 1 1 17 17 GLU H H 17 8.050 8.050 8.757 -0.707 19822
1266 1 16 . 1 1 18 18 ASN N N 18 116.120 116.120 118.424 -2.304 19822
1267 1 16 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
1268 1 16 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.712 -0.952 19822
1269 1 16 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.018 0.552 19822
1270 1 16 . 1 1 18 18 ASN H H 18 7.250 7.250 8.188 -0.938 19822
1271 1 16 . 1 1 19 19 TYR N N 19 117.010 117.010 115.873 1.137 19822
1272 1 16 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822
1273 1 16 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.010 2.050 19822
1274 1 16 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.904 0.706 19822
1275 1 16 . 1 1 19 19 TYR H H 19 7.950 7.950 7.185 0.765 19822
1276 1 16 . 1 1 20 20 CYS N N 20 116.970 116.970 121.426 -4.456 19822
1277 1 16 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.368 0.692 19822
1278 1 16 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.096 -5.856 19822
1279 1 16 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.560 10.930 19822
1280 1 16 . 1 1 20 20 CYS H H 20 7.400 7.400 8.308 -0.908 19822
1281 1 17 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.505 0.315 19822
1282 1 17 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.090 0.340 19822
1283 1 17 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.806 -0.036 19822
1284 1 17 . 1 1 2 2 ILE H H 2 7.080 7.080 8.166 -1.086 19822
1285 1 17 . 1 1 3 3 VAL N N 3 122.980 122.980 118.504 4.476 19822
1286 1 17 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.473 0.067 19822
1287 1 17 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.306 0.114 19822
1288 1 17 . 1 1 3 3 VAL H H 3 8.190 8.190 7.840 0.350 19822
1289 1 17 . 1 1 4 4 GLU N N 4 121.710 121.710 120.394 1.316 19822
1290 1 17 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.884 0.156 19822
1291 1 17 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.336 -0.336 19822
1292 1 17 . 1 1 4 4 GLU H H 4 8.350 8.350 7.864 0.486 19822
1293 1 17 . 1 1 5 5 GLN N N 5 110.870 110.870 118.027 -7.157 19822
1294 1 17 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.107 -0.117 19822
1295 1 17 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.730 -0.390 19822
1296 1 17 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.680 0.780 19822
1297 1 17 . 1 1 5 5 GLN H H 5 8.260 8.260 7.869 0.391 19822
1298 1 17 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.059 12.341 19822
1299 1 17 . 1 1 7 7 CYS N N 7 118.590 118.590 119.733 -1.143 19822
1300 1 17 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.371 0.469 19822
1301 1 17 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.996 -5.026 19822
1302 1 17 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.008 11.802 19822
1303 1 17 . 1 1 7 7 CYS H H 7 8.160 8.160 8.957 -0.797 19822
1304 1 17 . 1 1 8 8 THR HA H 8 3.980 3.980 4.243 -0.263 19822
1305 1 17 . 1 1 8 8 THR CA C 8 64.480 64.480 64.929 -0.449 19822
1306 1 17 . 1 1 8 8 THR CB C 8 68.600 68.600 69.170 -0.570 19822
1307 1 17 . 1 1 8 8 THR H H 8 8.230 8.230 7.821 0.409 19822
1308 1 17 . 1 1 9 9 SER HA H 9 4.706 4.706 4.726 -0.020 19822
1309 1 17 . 1 1 9 9 SER CA C 9 56.480 56.480 57.144 -0.664 19822
1310 1 17 . 1 1 9 9 SER CB C 9 64.590 64.590 66.326 -1.736 19822
1311 1 17 . 1 1 9 9 SER H H 9 7.320 7.320 7.808 -0.488 19822
1312 1 17 . 1 1 10 10 ILE N N 10 117.550 117.550 121.222 -3.672 19822
1313 1 17 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.005 0.245 19822
1314 1 17 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.198 -1.018 19822
1315 1 17 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.094 0.805 19822
1316 1 17 . 1 1 10 10 ILE H H 10 7.810 7.810 8.328 -0.518 19822
1317 1 17 . 1 1 11 11 CYS H H 11 9.920 9.920 8.774 1.146 19822
1318 1 17 . 1 1 12 12 SER HA H 12 4.560 4.560 4.678 -0.118 19822
1319 1 17 . 1 1 12 12 SER CA C 12 56.610 56.610 57.024 -0.414 19822
1320 1 17 . 1 1 12 12 SER CB C 12 65.750 65.750 65.048 0.702 19822
1321 1 17 . 1 1 13 13 LEU N N 13 121.930 121.930 123.924 -1.994 19822
1322 1 17 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.854 -0.064 19822
1323 1 17 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.986 0.493 19822
1324 1 17 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.276 -0.106 19822
1325 1 17 . 1 1 13 13 LEU H H 13 8.650 8.650 8.416 0.234 19822
1326 1 17 . 1 1 14 14 TYR N N 14 115.930 115.930 115.939 -0.009 19822
1327 1 17 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.073 0.177 19822
1328 1 17 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.498 -1.458 19822
1329 1 17 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.648 1.082 19822
1330 1 17 . 1 1 14 14 TYR H H 14 7.600 7.600 7.023 0.577 19822
1331 1 17 . 1 1 15 15 GLN N N 15 118.260 118.260 117.129 1.131 19822
1332 1 17 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.111 19822
1333 1 17 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.591 -0.121 19822
1334 1 17 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.212 1.068 19822
1335 1 17 . 1 1 15 15 GLN H H 15 7.430 7.430 7.796 -0.366 19822
1336 1 17 . 1 1 16 16 LEU N N 16 119.850 119.850 119.681 0.169 19822
1337 1 17 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.339 -0.269 19822
1338 1 17 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.660 0.291 19822
1339 1 17 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.945 0.035 19822
1340 1 17 . 1 1 16 16 LEU H H 16 7.870 7.870 8.058 -0.188 19822
1341 1 17 . 1 1 17 17 GLU N N 17 116.160 116.160 120.999 -4.839 19822
1342 1 17 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.001 0.109 19822
1343 1 17 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.199 -0.999 19822
1344 1 17 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.220 0.090 19822
1345 1 17 . 1 1 17 17 GLU H H 17 8.050 8.050 8.762 -0.712 19822
1346 1 17 . 1 1 18 18 ASN N N 18 116.120 116.120 118.438 -2.318 19822
1347 1 17 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
1348 1 17 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822
1349 1 17 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.016 0.554 19822
1350 1 17 . 1 1 18 18 ASN H H 18 7.250 7.250 8.208 -0.958 19822
1351 1 17 . 1 1 19 19 TYR N N 19 117.010 117.010 115.814 1.196 19822
1352 1 17 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.594 -0.264 19822
1353 1 17 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.977 2.083 19822
1354 1 17 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.892 0.718 19822
1355 1 17 . 1 1 19 19 TYR H H 19 7.950 7.950 7.184 0.766 19822
1356 1 17 . 1 1 20 20 CYS N N 20 116.970 116.970 121.418 -4.448 19822
1357 1 17 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.389 0.671 19822
1358 1 17 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.020 -5.780 19822
1359 1 17 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.659 10.831 19822
1360 1 17 . 1 1 20 20 CYS H H 20 7.400 7.400 8.364 -0.964 19822
1361 1 18 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.661 0.159 19822
1362 1 18 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.660 0.770 19822
1363 1 18 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.589 0.181 19822
1364 1 18 . 1 1 2 2 ILE H H 2 7.080 7.080 7.781 -0.701 19822
1365 1 18 . 1 1 3 3 VAL N N 3 122.980 122.980 119.871 3.109 19822
1366 1 18 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.702 -0.162 19822
1367 1 18 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.735 0.685 19822
1368 1 18 . 1 1 3 3 VAL H H 3 8.190 8.190 7.842 0.348 19822
1369 1 18 . 1 1 4 4 GLU N N 4 121.710 121.710 120.500 1.210 19822
1370 1 18 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.967 0.073 19822
1371 1 18 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.483 -0.483 19822
1372 1 18 . 1 1 4 4 GLU H H 4 8.350 8.350 8.459 -0.109 19822
1373 1 18 . 1 1 5 5 GLN N N 5 110.870 110.870 118.072 -7.202 19822
1374 1 18 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.104 -0.114 19822
1375 1 18 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.786 -0.446 19822
1376 1 18 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.712 0.748 19822
1377 1 18 . 1 1 5 5 GLN H H 5 8.260 8.260 7.895 0.365 19822
1378 1 18 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.052 12.348 19822
1379 1 18 . 1 1 7 7 CYS N N 7 118.590 118.590 120.159 -1.569 19822
1380 1 18 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.340 0.500 19822
1381 1 18 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.694 -4.724 19822
1382 1 18 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.080 11.730 19822
1383 1 18 . 1 1 7 7 CYS H H 7 8.160 8.160 8.927 -0.767 19822
1384 1 18 . 1 1 8 8 THR HA H 8 3.980 3.980 4.124 -0.144 19822
1385 1 18 . 1 1 8 8 THR CA C 8 64.480 64.480 64.847 -0.367 19822
1386 1 18 . 1 1 8 8 THR CB C 8 68.600 68.600 69.237 -0.637 19822
1387 1 18 . 1 1 8 8 THR H H 8 8.230 8.230 7.863 0.367 19822
1388 1 18 . 1 1 9 9 SER HA H 9 4.706 4.706 4.691 0.015 19822
1389 1 18 . 1 1 9 9 SER CA C 9 56.480 56.480 56.997 -0.517 19822
1390 1 18 . 1 1 9 9 SER CB C 9 64.590 64.590 66.405 -1.815 19822
1391 1 18 . 1 1 9 9 SER H H 9 7.320 7.320 7.731 -0.411 19822
1392 1 18 . 1 1 10 10 ILE N N 10 117.550 117.550 121.619 -4.069 19822
1393 1 18 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.044 0.206 19822
1394 1 18 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.076 -0.896 19822
1395 1 18 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.012 0.888 19822
1396 1 18 . 1 1 10 10 ILE H H 10 7.810 7.810 8.279 -0.469 19822
1397 1 18 . 1 1 11 11 CYS H H 11 9.920 9.920 8.833 1.087 19822
1398 1 18 . 1 1 12 12 SER HA H 12 4.560 4.560 4.670 -0.110 19822
1399 1 18 . 1 1 12 12 SER CA C 12 56.610 56.610 56.946 -0.336 19822
1400 1 18 . 1 1 12 12 SER CB C 12 65.750 65.750 65.216 0.534 19822
1401 1 18 . 1 1 13 13 LEU N N 13 121.930 121.930 125.035 -3.105 19822
1402 1 18 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.889 -0.099 19822
1403 1 18 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.982 0.498 19822
1404 1 18 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.628 0.542 19822
1405 1 18 . 1 1 13 13 LEU H H 13 8.650 8.650 8.318 0.332 19822
1406 1 18 . 1 1 14 14 TYR N N 14 115.930 115.930 115.676 0.254 19822
1407 1 18 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.118 0.132 19822
1408 1 18 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.021 -0.981 19822
1409 1 18 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.589 1.141 19822
1410 1 18 . 1 1 14 14 TYR H H 14 7.600 7.600 7.212 0.388 19822
1411 1 18 . 1 1 15 15 GLN N N 15 118.260 118.260 117.116 1.144 19822
1412 1 18 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.111 19822
1413 1 18 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.595 -0.125 19822
1414 1 18 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.208 1.072 19822
1415 1 18 . 1 1 15 15 GLN H H 15 7.430 7.430 7.798 -0.368 19822
1416 1 18 . 1 1 16 16 LEU N N 16 119.850 119.850 119.657 0.193 19822
1417 1 18 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
1418 1 18 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.649 0.301 19822
1419 1 18 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.949 0.031 19822
1420 1 18 . 1 1 16 16 LEU H H 16 7.870 7.870 8.064 -0.194 19822
1421 1 18 . 1 1 17 17 GLU N N 17 116.160 116.160 120.989 -4.829 19822
1422 1 18 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.000 0.110 19822
1423 1 18 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.197 -0.997 19822
1424 1 18 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.221 0.089 19822
1425 1 18 . 1 1 17 17 GLU H H 17 8.050 8.050 8.751 -0.701 19822
1426 1 18 . 1 1 18 18 ASN N N 18 116.120 116.120 118.438 -2.318 19822
1427 1 18 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
1428 1 18 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.705 -0.945 19822
1429 1 18 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.009 0.561 19822
1430 1 18 . 1 1 18 18 ASN H H 18 7.250 7.250 8.192 -0.942 19822
1431 1 18 . 1 1 19 19 TYR N N 19 117.010 117.010 114.897 2.113 19822
1432 1 18 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.566 -0.236 19822
1433 1 18 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.369 1.691 19822
1434 1 18 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.383 1.227 19822
1435 1 18 . 1 1 19 19 TYR H H 19 7.950 7.950 7.214 0.736 19822
1436 1 18 . 1 1 20 20 CYS N N 20 116.970 116.970 121.357 -4.387 19822
1437 1 18 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.383 0.677 19822
1438 1 18 . 1 1 20 20 CYS CA C 20 53.240 53.240 58.971 -5.731 19822
1439 1 18 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.667 10.823 19822
1440 1 18 . 1 1 20 20 CYS H H 20 7.400 7.400 8.332 -0.932 19822
1441 1 19 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.612 0.208 19822
1442 1 19 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.727 0.703 19822
1443 1 19 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.546 0.224 19822
1444 1 19 . 1 1 2 2 ILE H H 2 7.080 7.080 7.792 -0.712 19822
1445 1 19 . 1 1 3 3 VAL N N 3 122.980 122.980 119.232 3.748 19822
1446 1 19 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.619 -0.079 19822
1447 1 19 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.799 0.621 19822
1448 1 19 . 1 1 3 3 VAL H H 3 8.190 8.190 7.862 0.328 19822
1449 1 19 . 1 1 4 4 GLU N N 4 121.710 121.710 120.488 1.222 19822
1450 1 19 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.933 0.107 19822
1451 1 19 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.450 -0.450 19822
1452 1 19 . 1 1 4 4 GLU H H 4 8.350 8.350 8.229 0.121 19822
1453 1 19 . 1 1 5 5 GLN N N 5 110.870 110.870 118.004 -7.134 19822
1454 1 19 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.110 -0.120 19822
1455 1 19 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.751 -0.410 19822
1456 1 19 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.711 0.749 19822
1457 1 19 . 1 1 5 5 GLN H H 5 8.260 8.260 7.883 0.377 19822
1458 1 19 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.062 12.338 19822
1459 1 19 . 1 1 7 7 CYS N N 7 118.590 118.590 119.749 -1.159 19822
1460 1 19 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.364 0.476 19822
1461 1 19 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.080 -5.110 19822
1462 1 19 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.987 11.823 19822
1463 1 19 . 1 1 7 7 CYS H H 7 8.160 8.160 8.986 -0.826 19822
1464 1 19 . 1 1 8 8 THR HA H 8 3.980 3.980 4.219 -0.239 19822
1465 1 19 . 1 1 8 8 THR CA C 8 64.480 64.480 65.297 -0.817 19822
1466 1 19 . 1 1 8 8 THR CB C 8 68.600 68.600 69.197 -0.597 19822
1467 1 19 . 1 1 8 8 THR H H 8 8.230 8.230 7.998 0.232 19822
1468 1 19 . 1 1 9 9 SER HA H 9 4.706 4.706 4.701 0.005 19822
1469 1 19 . 1 1 9 9 SER CA C 9 56.480 56.480 56.812 -0.332 19822
1470 1 19 . 1 1 9 9 SER CB C 9 64.590 64.590 66.225 -1.635 19822
1471 1 19 . 1 1 9 9 SER H H 9 7.320 7.320 7.733 -0.413 19822
1472 1 19 . 1 1 10 10 ILE N N 10 117.550 117.550 121.193 -3.643 19822
1473 1 19 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.017 0.233 19822
1474 1 19 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.229 -1.049 19822
1475 1 19 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.286 0.614 19822
1476 1 19 . 1 1 10 10 ILE H H 10 7.810 7.810 8.269 -0.459 19822
1477 1 19 . 1 1 11 11 CYS H H 11 9.920 9.920 8.777 1.143 19822
1478 1 19 . 1 1 12 12 SER HA H 12 4.560 4.560 4.739 -0.179 19822
1479 1 19 . 1 1 12 12 SER CA C 12 56.610 56.610 57.124 -0.514 19822
1480 1 19 . 1 1 12 12 SER CB C 12 65.750 65.750 65.571 0.179 19822
1481 1 19 . 1 1 13 13 LEU N N 13 121.930 121.930 124.677 -2.747 19822
1482 1 19 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.872 -0.082 19822
1483 1 19 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.748 0.732 19822
1484 1 19 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.846 0.324 19822
1485 1 19 . 1 1 13 13 LEU H H 13 8.650 8.650 8.359 0.291 19822
1486 1 19 . 1 1 14 14 TYR N N 14 115.930 115.930 116.285 -0.355 19822
1487 1 19 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.018 0.232 19822
1488 1 19 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.687 -1.647 19822
1489 1 19 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.705 1.025 19822
1490 1 19 . 1 1 14 14 TYR H H 14 7.600 7.600 7.144 0.456 19822
1491 1 19 . 1 1 15 15 GLN N N 15 118.260 118.260 116.939 1.321 19822
1492 1 19 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.984 -0.114 19822
1493 1 19 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.659 -0.189 19822
1494 1 19 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.093 1.187 19822
1495 1 19 . 1 1 15 15 GLN H H 15 7.430 7.430 7.860 -0.430 19822
1496 1 19 . 1 1 16 16 LEU N N 16 119.850 119.850 119.698 0.152 19822
1497 1 19 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822
1498 1 19 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.668 0.282 19822
1499 1 19 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822
1500 1 19 . 1 1 16 16 LEU H H 16 7.870 7.870 8.063 -0.193 19822
1501 1 19 . 1 1 17 17 GLU N N 17 116.160 116.160 120.980 -4.820 19822
1502 1 19 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.002 0.108 19822
1503 1 19 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.194 -0.994 19822
1504 1 19 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.219 0.091 19822
1505 1 19 . 1 1 17 17 GLU H H 17 8.050 8.050 8.762 -0.712 19822
1506 1 19 . 1 1 18 18 ASN N N 18 116.120 116.120 118.424 -2.304 19822
1507 1 19 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822
1508 1 19 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.709 -0.949 19822
1509 1 19 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.023 0.547 19822
1510 1 19 . 1 1 18 18 ASN H H 18 7.250 7.250 8.205 -0.955 19822
1511 1 19 . 1 1 19 19 TYR N N 19 117.010 117.010 115.826 1.184 19822
1512 1 19 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.596 -0.266 19822
1513 1 19 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.968 2.092 19822
1514 1 19 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.904 0.707 19822
1515 1 19 . 1 1 19 19 TYR H H 19 7.950 7.950 7.178 0.772 19822
1516 1 19 . 1 1 20 20 CYS N N 20 116.970 116.970 121.503 -4.533 19822
1517 1 19 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.372 0.688 19822
1518 1 19 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.107 -5.867 19822
1519 1 19 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.639 10.851 19822
1520 1 19 . 1 1 20 20 CYS H H 20 7.400 7.400 8.328 -0.928 19822
1521 1 20 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.600 0.220 19822
1522 1 20 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.808 0.622 19822
1523 1 20 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.528 0.242 19822
1524 1 20 . 1 1 2 2 ILE H H 2 7.080 7.080 7.783 -0.703 19822
1525 1 20 . 1 1 3 3 VAL N N 3 122.980 122.980 119.046 3.934 19822
1526 1 20 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.622 -0.082 19822
1527 1 20 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.822 0.598 19822
1528 1 20 . 1 1 3 3 VAL H H 3 8.190 8.190 7.844 0.346 19822
1529 1 20 . 1 1 4 4 GLU N N 4 121.710 121.710 120.698 1.012 19822
1530 1 20 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.936 0.104 19822
1531 1 20 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.426 -0.426 19822
1532 1 20 . 1 1 4 4 GLU H H 4 8.350 8.350 8.109 0.241 19822
1533 1 20 . 1 1 5 5 GLN N N 5 110.870 110.870 117.909 -7.039 19822
1534 1 20 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.119 -0.129 19822
1535 1 20 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.702 -0.362 19822
1536 1 20 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.702 0.758 19822
1537 1 20 . 1 1 5 5 GLN H H 5 8.260 8.260 7.897 0.363 19822
1538 1 20 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.077 12.323 19822
1539 1 20 . 1 1 7 7 CYS N N 7 118.590 118.590 119.694 -1.104 19822
1540 1 20 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.374 0.466 19822
1541 1 20 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.107 -5.137 19822
1542 1 20 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.981 11.829 19822
1543 1 20 . 1 1 7 7 CYS H H 7 8.160 8.160 8.969 -0.809 19822
1544 1 20 . 1 1 8 8 THR HA H 8 3.980 3.980 4.211 -0.231 19822
1545 1 20 . 1 1 8 8 THR CA C 8 64.480 64.480 65.335 -0.855 19822
1546 1 20 . 1 1 8 8 THR CB C 8 68.600 68.600 69.165 -0.565 19822
1547 1 20 . 1 1 8 8 THR H H 8 8.230 8.230 7.981 0.249 19822
1548 1 20 . 1 1 9 9 SER HA H 9 4.706 4.706 4.682 0.024 19822
1549 1 20 . 1 1 9 9 SER CA C 9 56.480 56.480 57.085 -0.605 19822
1550 1 20 . 1 1 9 9 SER CB C 9 64.590 64.590 66.522 -1.932 19822
1551 1 20 . 1 1 9 9 SER H H 9 7.320 7.320 7.684 -0.364 19822
1552 1 20 . 1 1 10 10 ILE N N 10 117.550 117.550 121.156 -3.606 19822
1553 1 20 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.033 0.217 19822
1554 1 20 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.251 -1.071 19822
1555 1 20 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.441 0.459 19822
1556 1 20 . 1 1 10 10 ILE H H 10 7.810 7.810 8.247 -0.437 19822
1557 1 20 . 1 1 11 11 CYS H H 11 9.920 9.920 8.716 1.204 19822
1558 1 20 . 1 1 12 12 SER HA H 12 4.560 4.560 4.677 -0.117 19822
1559 1 20 . 1 1 12 12 SER CA C 12 56.610 56.610 56.957 -0.347 19822
1560 1 20 . 1 1 12 12 SER CB C 12 65.750 65.750 64.983 0.767 19822
1561 1 20 . 1 1 13 13 LEU N N 13 121.930 121.930 124.593 -2.663 19822
1562 1 20 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.875 -0.085 19822
1563 1 20 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.937 0.543 19822
1564 1 20 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.782 0.388 19822
1565 1 20 . 1 1 13 13 LEU H H 13 8.650 8.650 8.300 0.350 19822
1566 1 20 . 1 1 14 14 TYR N N 14 115.930 115.930 115.499 0.431 19822
1567 1 20 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.031 0.219 19822
1568 1 20 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.449 -1.409 19822
1569 1 20 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.712 1.018 19822
1570 1 20 . 1 1 14 14 TYR H H 14 7.600 7.600 7.237 0.363 19822
1571 1 20 . 1 1 15 15 GLN N N 15 118.260 118.260 117.141 1.119 19822
1572 1 20 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.979 -0.109 19822
1573 1 20 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.589 -0.119 19822
1574 1 20 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.218 1.062 19822
1575 1 20 . 1 1 15 15 GLN H H 15 7.430 7.430 7.799 -0.369 19822
1576 1 20 . 1 1 16 16 LEU N N 16 119.850 119.850 119.708 0.142 19822
1577 1 20 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.336 -0.266 19822
1578 1 20 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.674 0.276 19822
1579 1 20 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.947 0.033 19822
1580 1 20 . 1 1 16 16 LEU H H 16 7.870 7.870 8.049 -0.179 19822
1581 1 20 . 1 1 17 17 GLU N N 17 116.160 116.160 120.986 -4.826 19822
1582 1 20 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.000 0.110 19822
1583 1 20 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.201 -1.001 19822
1584 1 20 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.218 0.092 19822
1585 1 20 . 1 1 17 17 GLU H H 17 8.050 8.050 8.777 -0.727 19822
1586 1 20 . 1 1 18 18 ASN N N 18 116.120 116.120 118.443 -2.323 19822
1587 1 20 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
1588 1 20 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822
1589 1 20 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.012 0.558 19822
1590 1 20 . 1 1 18 18 ASN H H 18 7.250 7.250 8.217 -0.967 19822
1591 1 20 . 1 1 19 19 TYR N N 19 117.010 117.010 115.845 1.165 19822
1592 1 20 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.593 -0.263 19822
1593 1 20 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.013 2.047 19822
1594 1 20 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.916 0.694 19822
1595 1 20 . 1 1 19 19 TYR H H 19 7.950 7.950 7.186 0.764 19822
1596 1 20 . 1 1 20 20 CYS N N 20 116.970 116.970 121.453 -4.483 19822
1597 1 20 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.378 0.682 19822
1598 1 20 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.021 -5.781 19822
1599 1 20 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.637 10.852 19822
1600 1 20 . 1 1 20 20 CYS H H 20 7.400 7.400 8.318 -0.918 19822
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 13 3.382 1.473 3.168 19822
2 1 1 "Average Difference" HA 17 0.265 -0.061 0.266 19822
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19822
4 1 1 "Average Difference" CA 15 2.096 0.878 1.970 19822
5 1 1 "Average Difference" CB 18 4.809 -2.140 4.432 19822
6 1 1 "Average Difference" HN 17 0.653 0.107 0.664 19822
7 1 2 "Average Difference" N 13 3.309 1.417 3.112 19822
8 1 2 "Average Difference" HA 17 0.254 -0.048 0.257 19822
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19822
10 1 2 "Average Difference" CA 15 2.114 0.807 2.023 19822
11 1 2 "Average Difference" CB 18 4.793 -2.111 4.427 19822
12 1 2 "Average Difference" HN 17 0.610 0.113 0.618 19822
13 1 3 "Average Difference" N 13 3.312 1.346 3.150 19822
14 1 3 "Average Difference" HA 17 0.260 -0.058 0.262 19822
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19822
16 1 3 "Average Difference" CA 15 2.102 0.859 1.986 19822
17 1 3 "Average Difference" CB 18 4.797 -2.069 4.453 19822
18 1 3 "Average Difference" HN 17 0.667 0.096 0.680 19822
19 1 4 "Average Difference" N 13 3.332 1.323 3.183 19822
20 1 4 "Average Difference" HA 17 0.263 -0.065 0.263 19822
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19822
22 1 4 "Average Difference" CA 15 2.219 1.013 2.043 19822
23 1 4 "Average Difference" CB 18 4.850 -2.120 4.489 19822
24 1 4 "Average Difference" HN 17 0.680 0.117 0.691 19822
25 1 5 "Average Difference" N 13 3.331 1.328 3.179 19822
26 1 5 "Average Difference" HA 17 0.266 -0.066 0.266 19822
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19822
28 1 5 "Average Difference" CA 15 2.167 1.036 1.971 19822
29 1 5 "Average Difference" CB 18 4.838 -2.123 4.473 19822
30 1 5 "Average Difference" HN 17 0.680 0.084 0.695 19822
31 1 6 "Average Difference" N 13 3.267 1.452 3.046 19822
32 1 6 "Average Difference" HA 17 0.252 -0.040 0.256 19822
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19822
34 1 6 "Average Difference" CA 15 2.178 0.897 2.054 19822
35 1 6 "Average Difference" CB 18 4.825 -2.187 4.425 19822
36 1 6 "Average Difference" HN 17 0.639 0.118 0.647 19822
37 1 7 "Average Difference" N 13 3.313 1.428 3.112 19822
38 1 7 "Average Difference" HA 17 0.265 -0.046 0.269 19822
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19822
40 1 7 "Average Difference" CA 15 2.159 0.910 2.027 19822
41 1 7 "Average Difference" CB 18 4.829 -2.137 4.456 19822
42 1 7 "Average Difference" HN 17 0.671 0.095 0.684 19822
43 1 8 "Average Difference" N 13 3.351 1.464 3.138 19822
44 1 8 "Average Difference" HA 17 0.262 -0.061 0.263 19822
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19822
46 1 8 "Average Difference" CA 15 2.106 0.886 1.977 19822
47 1 8 "Average Difference" CB 18 4.815 -2.170 4.423 19822
48 1 8 "Average Difference" HN 17 0.662 0.099 0.675 19822
49 1 9 "Average Difference" N 13 3.215 1.501 2.959 19822
50 1 9 "Average Difference" HA 17 0.259 -0.045 0.263 19822
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19822
52 1 9 "Average Difference" CA 15 2.190 0.937 2.048 19822
53 1 9 "Average Difference" CB 18 4.827 -2.126 4.459 19822
54 1 9 "Average Difference" HN 17 0.667 0.144 0.671 19822
55 1 10 "Average Difference" N 13 3.295 1.356 3.125 19822
56 1 10 "Average Difference" HA 17 0.264 -0.056 0.266 19822
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19822
58 1 10 "Average Difference" CA 15 2.178 0.981 2.013 19822
59 1 10 "Average Difference" CB 18 4.829 -2.111 4.469 19822
60 1 10 "Average Difference" HN 17 0.668 0.104 0.680 19822
61 1 11 "Average Difference" N 13 3.312 1.495 3.075 19822
62 1 11 "Average Difference" HA 17 0.259 -0.039 0.264 19822
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19822
64 1 11 "Average Difference" CA 15 2.175 0.984 2.008 19822
65 1 11 "Average Difference" CB 18 4.839 -2.150 4.461 19822
66 1 11 "Average Difference" HN 17 0.627 0.121 0.634 19822
67 1 12 "Average Difference" N 13 3.394 1.457 3.191 19822
68 1 12 "Average Difference" HA 17 0.265 -0.066 0.265 19822
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19822
70 1 12 "Average Difference" CA 15 2.101 0.879 1.975 19822
71 1 12 "Average Difference" CB 18 4.817 -2.128 4.447 19822
72 1 12 "Average Difference" HN 17 0.662 0.102 0.674 19822
73 1 13 "Average Difference" N 13 3.268 1.434 3.057 19822
74 1 13 "Average Difference" HA 17 0.254 -0.039 0.258 19822
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19822
76 1 13 "Average Difference" CA 15 2.149 0.885 2.027 19822
77 1 13 "Average Difference" CB 18 4.823 -2.111 4.463 19822
78 1 13 "Average Difference" HN 17 0.626 0.093 0.638 19822
79 1 14 "Average Difference" N 13 3.298 1.373 3.121 19822
80 1 14 "Average Difference" HA 17 0.262 -0.058 0.263 19822
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19822
82 1 14 "Average Difference" CA 15 2.191 0.956 2.041 19822
83 1 14 "Average Difference" CB 18 4.864 -2.106 4.511 19822
84 1 14 "Average Difference" HN 17 0.678 0.100 0.691 19822
85 1 15 "Average Difference" N 13 3.404 1.447 3.207 19822
86 1 15 "Average Difference" HA 17 0.256 -0.054 0.258 19822
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19822
88 1 15 "Average Difference" CA 15 2.065 0.898 1.925 19822
89 1 15 "Average Difference" CB 18 4.799 -2.197 4.390 19822
90 1 15 "Average Difference" HN 17 0.642 0.108 0.653 19822
91 1 16 "Average Difference" N 13 3.359 1.489 3.133 19822
92 1 16 "Average Difference" HA 17 0.264 -0.051 0.267 19822
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19822
94 1 16 "Average Difference" CA 15 2.178 0.979 2.014 19822
95 1 16 "Average Difference" CB 18 4.839 -2.143 4.465 19822
96 1 16 "Average Difference" HN 17 0.669 0.101 0.682 19822
97 1 17 "Average Difference" N 13 3.317 1.330 3.163 19822
98 1 17 "Average Difference" HA 17 0.262 -0.064 0.262 19822
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19822
100 1 17 "Average Difference" CA 15 2.152 0.937 2.006 19822
101 1 17 "Average Difference" CB 18 4.815 -2.119 4.449 19822
102 1 17 "Average Difference" HN 17 0.678 0.101 0.691 19822
103 1 18 "Average Difference" N 13 3.345 1.497 3.114 19822
104 1 18 "Average Difference" HA 17 0.248 -0.043 0.251 19822
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19822
106 1 18 "Average Difference" CA 15 2.055 0.854 1.935 19822
107 1 18 "Average Difference" CB 18 4.818 -2.204 4.409 19822
108 1 18 "Average Difference" HN 17 0.608 0.116 0.615 19822
109 1 19 "Average Difference" N 13 3.293 1.467 3.069 19822
110 1 19 "Average Difference" HA 17 0.261 -0.048 0.264 19822
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19822
112 1 19 "Average Difference" CA 15 2.205 0.938 2.066 19822
113 1 19 "Average Difference" CB 18 4.818 -2.147 4.438 19822
114 1 19 "Average Difference" HN 17 0.622 0.112 0.631 19822
115 1 20 "Average Difference" N 13 3.269 1.403 3.074 19822
116 1 20 "Average Difference" HA 17 0.255 -0.050 0.258 19822
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19822
118 1 20 "Average Difference" CA 15 2.178 0.943 2.032 19822
119 1 20 "Average Difference" CB 18 4.823 -2.153 4.441 19822
120 1 20 "Average Difference" HN 17 0.623 0.094 0.635 19822
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 19822
_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 ILE HA H 2 3.820 3.820 3.537 0.283 19822
2 1 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.037 0.393 19822
3 1 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.720 0.050 19822
4 1 . 1 1 2 2 ILE H H 2 7.080 7.080 8.035 -0.955 19822
5 1 . 1 1 3 3 VAL N N 3 122.980 122.980 119.097 3.883 19822
6 1 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.588 -0.048 19822
7 1 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.001 0.419 19822
8 1 . 1 1 3 3 VAL H H 3 8.190 8.190 7.810 0.380 19822
9 1 . 1 1 4 4 GLU N N 4 121.710 121.710 120.493 1.217 19822
10 1 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.910 0.130 19822
11 1 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.375 -0.375 19822
12 1 . 1 1 4 4 GLU H H 4 8.350 8.350 8.033 0.317 19822
13 1 . 1 1 5 5 GLN N N 5 110.870 110.870 118.063 -7.193 19822
14 1 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.106 -0.116 19822
15 1 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.747 -0.407 19822
16 1 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.688 0.772 19822
17 1 . 1 1 5 5 GLN H H 5 8.260 8.260 7.884 0.376 19822
18 1 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.046 12.354 19822
19 1 . 1 1 7 7 CYS N N 7 118.590 118.590 119.841 -1.251 19822
20 1 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.373 0.467 19822
21 1 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.955 -4.985 19822
22 1 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.009 11.801 19822
23 1 . 1 1 7 7 CYS H H 7 8.160 8.160 8.951 -0.791 19822
24 1 . 1 1 8 8 THR HA H 8 3.980 3.980 4.206 -0.226 19822
25 1 . 1 1 8 8 THR CA C 8 64.480 64.480 65.028 -0.548 19822
26 1 . 1 1 8 8 THR CB C 8 68.600 68.600 69.209 -0.609 19822
27 1 . 1 1 8 8 THR H H 8 8.230 8.230 7.907 0.323 19822
28 1 . 1 1 9 9 SER HA H 9 4.706 4.706 4.696 0.010 19822
29 1 . 1 1 9 9 SER CA C 9 56.480 56.480 57.004 -0.524 19822
30 1 . 1 1 9 9 SER CB C 9 64.590 64.590 66.324 -1.734 19822
31 1 . 1 1 9 9 SER H H 9 7.320 7.320 7.746 -0.426 19822
32 1 . 1 1 10 10 ILE N N 10 117.550 117.550 121.263 -3.713 19822
33 1 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.022 0.228 19822
34 1 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.185 -1.005 19822
35 1 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.216 0.684 19822
36 1 . 1 1 10 10 ILE H H 10 7.810 7.810 8.286 -0.476 19822
37 1 . 1 1 11 11 CYS H H 11 9.920 9.920 8.774 1.146 19822
38 1 . 1 1 12 12 SER HA H 12 4.560 4.560 4.717 -0.157 19822
39 1 . 1 1 12 12 SER CA C 12 56.610 56.610 57.061 -0.451 19822
40 1 . 1 1 12 12 SER CB C 12 65.750 65.750 65.490 0.260 19822
41 1 . 1 1 13 13 LEU N N 13 121.930 121.930 124.558 -2.628 19822
42 1 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.866 -0.076 19822
43 1 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.871 0.609 19822
44 1 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.882 0.288 19822
45 1 . 1 1 13 13 LEU H H 13 8.650 8.650 8.398 0.253 19822
46 1 . 1 1 14 14 TYR N N 14 115.930 115.930 115.887 0.043 19822
47 1 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.095 0.155 19822
48 1 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.359 -1.319 19822
49 1 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.637 1.092 19822
50 1 . 1 1 14 14 TYR H H 14 7.600 7.600 7.135 0.464 19822
51 1 . 1 1 15 15 GLN N N 15 118.260 118.260 117.049 1.211 19822
52 1 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.112 19822
53 1 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.616 -0.145 19822
54 1 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.164 1.116 19822
55 1 . 1 1 15 15 GLN H H 15 7.430 7.430 7.820 -0.390 19822
56 1 . 1 1 16 16 LEU N N 16 119.850 119.850 119.687 0.163 19822
57 1 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822
58 1 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.661 0.289 19822
59 1 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.941 0.039 19822
60 1 . 1 1 16 16 LEU H H 16 7.870 7.870 8.064 -0.194 19822
61 1 . 1 1 17 17 GLU N N 17 116.160 116.160 120.990 -4.830 19822
62 1 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.003 0.107 19822
63 1 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.193 -0.993 19822
64 1 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.224 0.086 19822
65 1 . 1 1 17 17 GLU H H 17 8.050 8.050 8.759 -0.709 19822
66 1 . 1 1 18 18 ASN N N 18 116.120 116.120 118.434 -2.314 19822
67 1 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822
68 1 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.709 -0.949 19822
69 1 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.018 0.552 19822
70 1 . 1 1 18 18 ASN H H 18 7.250 7.250 8.210 -0.960 19822
71 1 . 1 1 19 19 TYR N N 19 117.010 117.010 115.667 1.343 19822
72 1 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.590 -0.260 19822
73 1 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.053 2.007 19822
74 1 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.806 0.804 19822
75 1 . 1 1 19 19 TYR H H 19 7.950 7.950 7.180 0.770 19822
76 1 . 1 1 20 20 CYS N N 20 116.970 116.970 121.415 -4.445 19822
77 1 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.378 0.682 19822
78 1 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.055 -5.815 19822
79 1 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.616 10.874 19822
80 1 . 1 1 20 20 CYS H H 20 7.400 7.400 8.337 -0.937 19822
stop_
save_