data_19501
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19501
_Entry.PDB_ID 2MDQ
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 19501
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.030 0.626 19501
2 1 1 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.562 -2.814 19501
3 1 1 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.712 16.081 19501
4 1 1 . 1 1 2 2 CYS H H 2 8.909 8.909 8.613 0.296 19501
5 1 1 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.363 0.119 19501
6 1 1 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.681 -4.932 19501
7 1 1 . 1 1 3 3 CYS CB C 3 36.486 36.486 27.066 9.420 19501
8 1 1 . 1 1 3 3 CYS H H 3 8.704 8.704 8.169 0.534 19501
9 1 1 . 1 1 4 4 SER HA H 4 4.375 4.375 4.461 -0.086 19501
10 1 1 . 1 1 4 4 SER CA C 4 58.952 58.952 59.939 -0.987 19501
11 1 1 . 1 1 4 4 SER CB C 4 62.726 62.726 63.266 -0.540 19501
12 1 1 . 1 1 4 4 SER H H 4 7.916 7.916 7.842 0.074 19501
13 1 1 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.885 0.337 19501
14 1 1 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.431 -1.109 19501
15 1 1 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.435 -1.354 19501
16 1 1 . 1 1 5 5 HIS H H 5 8.131 8.131 7.370 0.761 19501
17 1 1 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.132 0.163 19501
18 1 1 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.721 0.351 19501
19 1 1 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.955 0.179 19501
20 1 1 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.194 -0.011 19501
21 1 1 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.700 -0.542 19501
22 1 1 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.108 0.142 19501
23 1 1 . 1 1 7 7 ALA H H 7 8.460 8.460 8.331 0.129 19501
24 1 1 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.970 -0.370 19501
25 1 1 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.192 -3.320 19501
26 1 1 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.091 14.995 19501
27 1 1 . 1 1 8 8 CYS H H 8 7.571 7.571 8.413 -0.842 19501
28 1 1 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.545 0.060 19501
29 1 1 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.760 -3.133 19501
30 1 1 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.532 0.710 19501
31 1 1 . 1 1 9 9 ASN H H 9 8.578 8.578 8.461 0.117 19501
32 1 1 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.860 0.045 19501
33 1 1 . 1 1 10 10 VAL CA C 10 64.195 64.195 64.928 -0.733 19501
34 1 1 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.808 0.117 19501
35 1 1 . 1 1 10 10 VAL H H 10 7.945 7.945 7.896 0.049 19501
36 1 1 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.571 0.136 19501
37 1 1 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.262 -1.308 19501
38 1 1 . 1 1 11 11 ASP CB C 11 38.561 38.561 41.227 -2.666 19501
39 1 1 . 1 1 11 11 ASP H H 11 7.565 7.565 7.742 -0.177 19501
40 1 1 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.984 0.211 19501
41 1 1 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.152 0.087 19501
42 1 1 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.237 -1.587 19501
43 1 1 . 1 1 12 12 HIS H H 12 7.908 7.908 7.495 0.413 19501
44 1 1 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.677 -0.164 19501
45 1 1 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.319 0.346 19501
46 1 1 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.930 -0.488 19501
47 1 1 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.255 0.088 19501
48 1 1 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.810 -0.470 19501
49 1 1 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.375 -1.472 19501
50 1 1 . 1 1 14 14 GLU H H 14 9.151 9.151 8.509 0.642 19501
51 1 1 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.200 0.101 19501
52 1 1 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.379 0.491 19501
53 1 1 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.149 0.049 19501
54 1 1 . 1 1 15 15 ILE H H 15 7.596 7.596 7.662 -0.066 19501
55 1 2 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.424 0.232 19501
56 1 2 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.775 -3.026 19501
57 1 2 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.378 15.415 19501
58 1 2 . 1 1 2 2 CYS H H 2 8.909 8.909 8.739 0.170 19501
59 1 2 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.259 0.223 19501
60 1 2 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.698 -4.949 19501
61 1 2 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.447 10.039 19501
62 1 2 . 1 1 3 3 CYS H H 3 8.704 8.704 8.428 0.276 19501
63 1 2 . 1 1 4 4 SER HA H 4 4.375 4.375 4.412 -0.037 19501
64 1 2 . 1 1 4 4 SER CA C 4 58.952 58.952 59.619 -0.667 19501
65 1 2 . 1 1 4 4 SER CB C 4 62.726 62.726 62.820 -0.094 19501
66 1 2 . 1 1 4 4 SER H H 4 7.916 7.916 7.861 0.055 19501
67 1 2 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.930 0.292 19501
68 1 2 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.759 -1.437 19501
69 1 2 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.606 -1.525 19501
70 1 2 . 1 1 5 5 HIS H H 5 8.131 8.131 7.572 0.559 19501
71 1 2 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.072 0.223 19501
72 1 2 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.953 0.119 19501
73 1 2 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.006 0.128 19501
74 1 2 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.177 0.006 19501
75 1 2 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.763 -0.605 19501
76 1 2 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.276 -0.025 19501
77 1 2 . 1 1 7 7 ALA H H 7 8.460 8.460 8.308 0.152 19501
78 1 2 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.994 -0.394 19501
79 1 2 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.390 -3.518 19501
80 1 2 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.111 14.975 19501
81 1 2 . 1 1 8 8 CYS H H 8 7.571 7.571 7.984 -0.413 19501
82 1 2 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.591 0.014 19501
83 1 2 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.135 -2.507 19501
84 1 2 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.291 0.951 19501
85 1 2 . 1 1 9 9 ASN H H 9 8.578 8.578 8.170 0.408 19501
86 1 2 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.799 0.106 19501
87 1 2 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.707 -1.512 19501
88 1 2 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.755 0.171 19501
89 1 2 . 1 1 10 10 VAL H H 10 7.945 7.945 7.709 0.236 19501
90 1 2 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.493 0.214 19501
91 1 2 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.434 -1.480 19501
92 1 2 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.827 -2.266 19501
93 1 2 . 1 1 11 11 ASP H H 11 7.565 7.565 7.861 -0.296 19501
94 1 2 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.233 -0.038 19501
95 1 2 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.152 0.087 19501
96 1 2 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.462 -0.812 19501
97 1 2 . 1 1 12 12 HIS H H 12 7.908 7.908 7.392 0.516 19501
98 1 2 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.375 0.138 19501
99 1 2 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.781 -0.117 19501
100 1 2 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.041 -0.599 19501
101 1 2 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.288 0.055 19501
102 1 2 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.274 0.066 19501
103 1 2 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.771 -0.868 19501
104 1 2 . 1 1 14 14 GLU H H 14 9.151 9.151 8.688 0.463 19501
105 1 2 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.126 0.175 19501
106 1 2 . 1 1 15 15 ILE CA C 15 61.870 61.870 62.261 -0.391 19501
107 1 2 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.476 -0.278 19501
108 1 2 . 1 1 15 15 ILE H H 15 7.596 7.596 7.542 0.054 19501
109 1 3 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.431 0.225 19501
110 1 3 . 1 1 2 2 CYS CA C 2 57.748 57.748 61.227 -3.479 19501
111 1 3 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.961 15.832 19501
112 1 3 . 1 1 2 2 CYS H H 2 8.909 8.909 8.775 0.134 19501
113 1 3 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.171 0.311 19501
114 1 3 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.719 -4.970 19501
115 1 3 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.453 10.033 19501
116 1 3 . 1 1 3 3 CYS H H 3 8.704 8.704 8.132 0.572 19501
117 1 3 . 1 1 4 4 SER HA H 4 4.375 4.375 4.396 -0.021 19501
118 1 3 . 1 1 4 4 SER CA C 4 58.952 58.952 59.619 -0.667 19501
119 1 3 . 1 1 4 4 SER CB C 4 62.726 62.726 63.062 -0.336 19501
120 1 3 . 1 1 4 4 SER H H 4 7.916 7.916 7.717 0.199 19501
121 1 3 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.893 0.329 19501
122 1 3 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.694 -1.372 19501
123 1 3 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.404 -1.323 19501
124 1 3 . 1 1 5 5 HIS H H 5 8.131 8.131 7.753 0.378 19501
125 1 3 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.087 0.208 19501
126 1 3 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.652 0.420 19501
127 1 3 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.031 0.103 19501
128 1 3 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.293 -0.110 19501
129 1 3 . 1 1 7 7 ALA CA C 7 54.158 54.158 53.954 0.204 19501
130 1 3 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.447 -0.197 19501
131 1 3 . 1 1 7 7 ALA H H 7 8.460 8.460 8.351 0.109 19501
132 1 3 . 1 1 8 8 CYS HA H 8 4.600 4.600 5.196 -0.596 19501
133 1 3 . 1 1 8 8 CYS CA C 8 55.872 55.872 58.048 -2.176 19501
134 1 3 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.986 14.100 19501
135 1 3 . 1 1 8 8 CYS H H 8 7.571 7.571 7.950 -0.379 19501
136 1 3 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.621 -0.016 19501
137 1 3 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.083 -2.456 19501
138 1 3 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.993 0.249 19501
139 1 3 . 1 1 9 9 ASN H H 9 8.578 8.578 7.832 0.746 19501
140 1 3 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.836 0.069 19501
141 1 3 . 1 1 10 10 VAL CA C 10 64.195 64.195 64.635 -0.440 19501
142 1 3 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.883 0.044 19501
143 1 3 . 1 1 10 10 VAL H H 10 7.945 7.945 7.547 0.398 19501
144 1 3 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.501 0.206 19501
145 1 3 . 1 1 11 11 ASP CA C 11 52.954 52.954 53.892 -0.938 19501
146 1 3 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.041 -1.480 19501
147 1 3 . 1 1 11 11 ASP H H 11 7.565 7.565 8.267 -0.702 19501
148 1 3 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.159 0.036 19501
149 1 3 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.524 -0.285 19501
150 1 3 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.723 -1.073 19501
151 1 3 . 1 1 12 12 HIS H H 12 7.908 7.908 7.794 0.114 19501
152 1 3 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.364 0.149 19501
153 1 3 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.593 0.072 19501
154 1 3 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.000 -0.558 19501
155 1 3 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.368 -0.025 19501
156 1 3 . 1 1 14 14 GLU CA C 14 57.340 57.340 56.729 0.611 19501
157 1 3 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.821 -0.918 19501
158 1 3 . 1 1 14 14 GLU H H 14 9.151 9.151 8.437 0.714 19501
159 1 3 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.278 0.023 19501
160 1 3 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.722 0.148 19501
161 1 3 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.388 -0.190 19501
162 1 3 . 1 1 15 15 ILE H H 15 7.596 7.596 7.689 -0.093 19501
163 1 4 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.203 0.453 19501
164 1 4 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.965 -3.217 19501
165 1 4 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.717 16.076 19501
166 1 4 . 1 1 2 2 CYS H H 2 8.909 8.909 8.617 0.292 19501
167 1 4 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.310 0.172 19501
168 1 4 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.174 -4.425 19501
169 1 4 . 1 1 3 3 CYS CB C 3 36.486 36.486 27.246 9.240 19501
170 1 4 . 1 1 3 3 CYS H H 3 8.704 8.704 8.323 0.381 19501
171 1 4 . 1 1 4 4 SER HA H 4 4.375 4.375 4.368 0.007 19501
172 1 4 . 1 1 4 4 SER CA C 4 58.952 58.952 59.664 -0.712 19501
173 1 4 . 1 1 4 4 SER CB C 4 62.726 62.726 63.121 -0.395 19501
174 1 4 . 1 1 4 4 SER H H 4 7.916 7.916 7.841 0.075 19501
175 1 4 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.823 0.399 19501
176 1 4 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.964 -1.642 19501
177 1 4 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.199 -1.118 19501
178 1 4 . 1 1 5 5 HIS H H 5 8.131 8.131 7.533 0.598 19501
179 1 4 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.128 0.167 19501
180 1 4 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.707 0.365 19501
181 1 4 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.960 0.174 19501
182 1 4 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.213 -0.030 19501
183 1 4 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.646 -0.488 19501
184 1 4 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.281 -0.031 19501
185 1 4 . 1 1 7 7 ALA H H 7 8.460 8.460 8.325 0.135 19501
186 1 4 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.738 -0.138 19501
187 1 4 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.536 -3.664 19501
188 1 4 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.150 14.936 19501
189 1 4 . 1 1 8 8 CYS H H 8 7.571 7.571 7.942 -0.371 19501
190 1 4 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.488 0.117 19501
191 1 4 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.034 -2.407 19501
192 1 4 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.735 0.507 19501
193 1 4 . 1 1 9 9 ASN H H 9 8.578 8.578 8.161 0.417 19501
194 1 4 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.731 0.174 19501
195 1 4 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.544 -1.349 19501
196 1 4 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.820 0.106 19501
197 1 4 . 1 1 10 10 VAL H H 10 7.945 7.945 7.776 0.169 19501
198 1 4 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.670 0.037 19501
199 1 4 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.336 -1.382 19501
200 1 4 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.889 -2.328 19501
201 1 4 . 1 1 11 11 ASP H H 11 7.565 7.565 7.846 -0.281 19501
202 1 4 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.851 0.344 19501
203 1 4 . 1 1 12 12 HIS CA C 12 54.239 54.239 53.486 0.753 19501
204 1 4 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.802 -1.152 19501
205 1 4 . 1 1 12 12 HIS H H 12 7.908 7.908 7.742 0.166 19501
206 1 4 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.571 -0.058 19501
207 1 4 . 1 1 13 13 PRO CA C 13 64.665 64.665 63.868 0.797 19501
208 1 4 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.299 -0.857 19501
209 1 4 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.203 0.140 19501
210 1 4 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.299 0.041 19501
211 1 4 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.991 -1.088 19501
212 1 4 . 1 1 14 14 GLU H H 14 9.151 9.151 8.513 0.638 19501
213 1 4 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.170 0.131 19501
214 1 4 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.808 0.062 19501
215 1 4 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.144 0.055 19501
216 1 4 . 1 1 15 15 ILE H H 15 7.596 7.596 7.494 0.102 19501
217 1 5 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.018 0.638 19501
218 1 5 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.528 -2.780 19501
219 1 5 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.183 15.610 19501
220 1 5 . 1 1 2 2 CYS H H 2 8.909 8.909 8.639 0.270 19501
221 1 5 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.248 0.234 19501
222 1 5 . 1 1 3 3 CYS CA C 3 55.749 55.749 61.101 -5.352 19501
223 1 5 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.471 10.015 19501
224 1 5 . 1 1 3 3 CYS H H 3 8.704 8.704 8.287 0.417 19501
225 1 5 . 1 1 4 4 SER HA H 4 4.375 4.375 4.461 -0.086 19501
226 1 5 . 1 1 4 4 SER CA C 4 58.952 58.952 59.784 -0.832 19501
227 1 5 . 1 1 4 4 SER CB C 4 62.726 62.726 63.140 -0.414 19501
228 1 5 . 1 1 4 4 SER H H 4 7.916 7.916 7.878 0.038 19501
229 1 5 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.848 0.374 19501
230 1 5 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.533 -1.211 19501
231 1 5 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.588 -1.507 19501
232 1 5 . 1 1 5 5 HIS H H 5 8.131 8.131 7.625 0.506 19501
233 1 5 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.159 0.136 19501
234 1 5 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.411 0.661 19501
235 1 5 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.095 0.039 19501
236 1 5 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.319 -0.136 19501
237 1 5 . 1 1 7 7 ALA CA C 7 54.158 54.158 53.949 0.209 19501
238 1 5 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.482 -0.232 19501
239 1 5 . 1 1 7 7 ALA H H 7 8.460 8.460 8.405 0.055 19501
240 1 5 . 1 1 8 8 CYS HA H 8 4.600 4.600 5.097 -0.497 19501
241 1 5 . 1 1 8 8 CYS CA C 8 55.872 55.872 57.651 -1.779 19501
242 1 5 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.211 14.875 19501
243 1 5 . 1 1 8 8 CYS H H 8 7.571 7.571 7.740 -0.169 19501
244 1 5 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.794 -0.189 19501
245 1 5 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.210 -2.583 19501
246 1 5 . 1 1 9 9 ASN CB C 9 39.242 39.242 39.261 -0.019 19501
247 1 5 . 1 1 9 9 ASN H H 9 8.578 8.578 7.606 0.972 19501
248 1 5 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.859 0.046 19501
249 1 5 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.116 -0.921 19501
250 1 5 . 1 1 10 10 VAL CB C 10 31.926 31.926 32.103 -0.177 19501
251 1 5 . 1 1 10 10 VAL H H 10 7.945 7.945 7.759 0.186 19501
252 1 5 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.512 0.195 19501
253 1 5 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.523 -1.569 19501
254 1 5 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.478 -1.917 19501
255 1 5 . 1 1 11 11 ASP H H 11 7.565 7.565 8.692 -1.127 19501
256 1 5 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.999 0.196 19501
257 1 5 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.276 -0.037 19501
258 1 5 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.229 -1.579 19501
259 1 5 . 1 1 12 12 HIS H H 12 7.908 7.908 7.729 0.179 19501
260 1 5 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.549 -0.036 19501
261 1 5 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.419 0.246 19501
262 1 5 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.916 -0.475 19501
263 1 5 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.142 0.201 19501
264 1 5 . 1 1 14 14 GLU CA C 14 57.340 57.340 58.305 -0.965 19501
265 1 5 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.024 -1.121 19501
266 1 5 . 1 1 14 14 GLU H H 14 9.151 9.151 8.746 0.405 19501
267 1 5 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.220 0.081 19501
268 1 5 . 1 1 15 15 ILE CA C 15 61.870 61.870 62.121 -0.251 19501
269 1 5 . 1 1 15 15 ILE CB C 15 39.198 39.198 40.190 -0.992 19501
270 1 5 . 1 1 15 15 ILE H H 15 7.596 7.596 7.531 0.065 19501
271 1 6 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.408 0.248 19501
272 1 6 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.992 -3.244 19501
273 1 6 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.071 15.722 19501
274 1 6 . 1 1 2 2 CYS H H 2 8.909 8.909 8.596 0.313 19501
275 1 6 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.297 0.185 19501
276 1 6 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.695 -4.946 19501
277 1 6 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.547 9.938 19501
278 1 6 . 1 1 3 3 CYS H H 3 8.704 8.704 8.313 0.391 19501
279 1 6 . 1 1 4 4 SER HA H 4 4.375 4.375 4.372 0.003 19501
280 1 6 . 1 1 4 4 SER CA C 4 58.952 58.952 59.748 -0.797 19501
281 1 6 . 1 1 4 4 SER CB C 4 62.726 62.726 63.037 -0.311 19501
282 1 6 . 1 1 4 4 SER H H 4 7.916 7.916 7.801 0.115 19501
283 1 6 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.938 0.284 19501
284 1 6 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.648 -1.327 19501
285 1 6 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.590 -1.509 19501
286 1 6 . 1 1 5 5 HIS H H 5 8.131 8.131 7.723 0.408 19501
287 1 6 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.093 0.202 19501
288 1 6 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.876 0.196 19501
289 1 6 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.001 0.133 19501
290 1 6 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.265 -0.082 19501
291 1 6 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.138 0.020 19501
292 1 6 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.296 -0.046 19501
293 1 6 . 1 1 7 7 ALA H H 7 8.460 8.460 8.301 0.159 19501
294 1 6 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.786 -0.186 19501
295 1 6 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.149 -3.277 19501
296 1 6 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.348 14.738 19501
297 1 6 . 1 1 8 8 CYS H H 8 7.571 7.571 7.972 -0.401 19501
298 1 6 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.565 0.040 19501
299 1 6 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.695 -3.068 19501
300 1 6 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.462 0.781 19501
301 1 6 . 1 1 9 9 ASN H H 9 8.578 8.578 8.499 0.079 19501
302 1 6 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.832 0.073 19501
303 1 6 . 1 1 10 10 VAL CA C 10 64.195 64.195 64.998 -0.803 19501
304 1 6 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.800 0.126 19501
305 1 6 . 1 1 10 10 VAL H H 10 7.945 7.945 7.835 0.110 19501
306 1 6 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.552 0.155 19501
307 1 6 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.211 -1.257 19501
308 1 6 . 1 1 11 11 ASP CB C 11 38.561 38.561 41.196 -2.635 19501
309 1 6 . 1 1 11 11 ASP H H 11 7.565 7.565 7.812 -0.247 19501
310 1 6 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.068 0.127 19501
311 1 6 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.228 0.011 19501
312 1 6 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.254 -0.604 19501
313 1 6 . 1 1 12 12 HIS H H 12 7.908 7.908 7.576 0.332 19501
314 1 6 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.707 -0.194 19501
315 1 6 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.026 0.639 19501
316 1 6 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.900 -0.458 19501
317 1 6 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.160 0.183 19501
318 1 6 . 1 1 14 14 GLU CA C 14 57.340 57.340 58.536 -1.196 19501
319 1 6 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.275 -1.372 19501
320 1 6 . 1 1 14 14 GLU H H 14 9.151 9.151 8.673 0.478 19501
321 1 6 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.204 0.097 19501
322 1 6 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.508 0.362 19501
323 1 6 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.146 0.052 19501
324 1 6 . 1 1 15 15 ILE H H 15 7.596 7.596 7.677 -0.081 19501
325 1 7 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.261 0.395 19501
326 1 7 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.484 -2.736 19501
327 1 7 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.191 15.602 19501
328 1 7 . 1 1 2 2 CYS H H 2 8.909 8.909 8.117 0.792 19501
329 1 7 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.306 0.176 19501
330 1 7 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.201 -4.452 19501
331 1 7 . 1 1 3 3 CYS CB C 3 36.486 36.486 27.090 9.396 19501
332 1 7 . 1 1 3 3 CYS H H 3 8.704 8.704 8.087 0.617 19501
333 1 7 . 1 1 4 4 SER HA H 4 4.375 4.375 4.346 0.029 19501
334 1 7 . 1 1 4 4 SER CA C 4 58.952 58.952 60.376 -1.424 19501
335 1 7 . 1 1 4 4 SER CB C 4 62.726 62.726 63.162 -0.436 19501
336 1 7 . 1 1 4 4 SER H H 4 7.916 7.916 7.639 0.277 19501
337 1 7 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.841 0.381 19501
338 1 7 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.959 -1.637 19501
339 1 7 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.225 -1.144 19501
340 1 7 . 1 1 5 5 HIS H H 5 8.131 8.131 7.517 0.614 19501
341 1 7 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.126 0.169 19501
342 1 7 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.614 0.458 19501
343 1 7 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.995 0.139 19501
344 1 7 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.259 -0.076 19501
345 1 7 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.457 -0.299 19501
346 1 7 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.311 -0.061 19501
347 1 7 . 1 1 7 7 ALA H H 7 8.460 8.460 8.348 0.113 19501
348 1 7 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.936 -0.336 19501
349 1 7 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.194 -3.322 19501
350 1 7 . 1 1 8 8 CYS CB C 8 41.086 41.086 25.837 15.249 19501
351 1 7 . 1 1 8 8 CYS H H 8 7.571 7.571 8.012 -0.441 19501
352 1 7 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.575 0.030 19501
353 1 7 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.847 -3.220 19501
354 1 7 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.675 0.567 19501
355 1 7 . 1 1 9 9 ASN H H 9 8.578 8.578 8.005 0.573 19501
356 1 7 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.874 0.031 19501
357 1 7 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.498 -1.303 19501
358 1 7 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.746 0.180 19501
359 1 7 . 1 1 10 10 VAL H H 10 7.945 7.945 7.820 0.125 19501
360 1 7 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.511 0.196 19501
361 1 7 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.449 -1.495 19501
362 1 7 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.755 -2.194 19501
363 1 7 . 1 1 11 11 ASP H H 11 7.565 7.565 8.047 -0.482 19501
364 1 7 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.999 0.196 19501
365 1 7 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.273 -0.034 19501
366 1 7 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.270 -1.621 19501
367 1 7 . 1 1 12 12 HIS H H 12 7.908 7.908 7.732 0.176 19501
368 1 7 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.623 -0.110 19501
369 1 7 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.294 0.371 19501
370 1 7 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.944 -0.502 19501
371 1 7 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.262 0.081 19501
372 1 7 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.751 -0.411 19501
373 1 7 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.071 -1.168 19501
374 1 7 . 1 1 14 14 GLU H H 14 9.151 9.151 8.696 0.455 19501
375 1 7 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.203 0.098 19501
376 1 7 . 1 1 15 15 ILE CA C 15 61.870 61.870 62.260 -0.390 19501
377 1 7 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.920 -0.723 19501
378 1 7 . 1 1 15 15 ILE H H 15 7.596 7.596 7.547 0.049 19501
379 1 8 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.314 0.342 19501
380 1 8 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.745 -2.997 19501
381 1 8 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.679 15.114 19501
382 1 8 . 1 1 2 2 CYS H H 2 8.909 8.909 8.821 0.088 19501
383 1 8 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.305 0.177 19501
384 1 8 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.952 -5.203 19501
385 1 8 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.505 9.981 19501
386 1 8 . 1 1 3 3 CYS H H 3 8.704 8.704 8.455 0.249 19501
387 1 8 . 1 1 4 4 SER HA H 4 4.375 4.375 4.472 -0.097 19501
388 1 8 . 1 1 4 4 SER CA C 4 58.952 58.952 59.606 -0.654 19501
389 1 8 . 1 1 4 4 SER CB C 4 62.726 62.726 62.929 -0.203 19501
390 1 8 . 1 1 4 4 SER H H 4 7.916 7.916 7.896 0.020 19501
391 1 8 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.932 0.290 19501
392 1 8 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.602 -1.280 19501
393 1 8 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.513 -1.432 19501
394 1 8 . 1 1 5 5 HIS H H 5 8.131 8.131 7.683 0.448 19501
395 1 8 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.110 0.185 19501
396 1 8 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.768 0.304 19501
397 1 8 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.956 0.178 19501
398 1 8 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.244 -0.061 19501
399 1 8 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.287 -0.129 19501
400 1 8 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.284 -0.034 19501
401 1 8 . 1 1 7 7 ALA H H 7 8.460 8.460 8.346 0.114 19501
402 1 8 . 1 1 8 8 CYS HA H 8 4.600 4.600 5.045 -0.445 19501
403 1 8 . 1 1 8 8 CYS CA C 8 55.872 55.872 58.723 -2.851 19501
404 1 8 . 1 1 8 8 CYS CB C 8 41.086 41.086 27.599 13.487 19501
405 1 8 . 1 1 8 8 CYS H H 8 7.571 7.571 8.045 -0.474 19501
406 1 8 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.687 -0.082 19501
407 1 8 . 1 1 9 9 ASN CA C 9 53.627 53.627 55.758 -2.131 19501
408 1 8 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.573 0.669 19501
409 1 8 . 1 1 9 9 ASN H H 9 8.578 8.578 8.149 0.429 19501
410 1 8 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.879 0.026 19501
411 1 8 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.037 -0.842 19501
412 1 8 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.921 0.006 19501
413 1 8 . 1 1 10 10 VAL H H 10 7.945 7.945 8.081 -0.136 19501
414 1 8 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.621 0.086 19501
415 1 8 . 1 1 11 11 ASP CA C 11 52.954 52.954 53.744 -0.790 19501
416 1 8 . 1 1 11 11 ASP CB C 11 38.561 38.561 41.453 -2.892 19501
417 1 8 . 1 1 11 11 ASP H H 11 7.565 7.565 7.730 -0.165 19501
418 1 8 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.043 0.152 19501
419 1 8 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.046 0.193 19501
420 1 8 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.809 -1.159 19501
421 1 8 . 1 1 12 12 HIS H H 12 7.908 7.908 7.716 0.192 19501
422 1 8 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.490 0.023 19501
423 1 8 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.116 0.549 19501
424 1 8 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.155 -0.713 19501
425 1 8 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.178 0.165 19501
426 1 8 . 1 1 14 14 GLU CA C 14 57.340 57.340 58.182 -0.842 19501
427 1 8 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.267 -1.364 19501
428 1 8 . 1 1 14 14 GLU H H 14 9.151 9.151 8.422 0.729 19501
429 1 8 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.159 0.142 19501
430 1 8 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.687 0.183 19501
431 1 8 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.075 0.124 19501
432 1 8 . 1 1 15 15 ILE H H 15 7.596 7.596 7.550 0.046 19501
433 1 9 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.213 0.443 19501
434 1 9 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.796 -3.048 19501
435 1 9 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.334 15.459 19501
436 1 9 . 1 1 2 2 CYS H H 2 8.909 8.909 8.617 0.292 19501
437 1 9 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.311 0.171 19501
438 1 9 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.819 -5.070 19501
439 1 9 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.489 9.997 19501
440 1 9 . 1 1 3 3 CYS H H 3 8.704 8.704 8.321 0.383 19501
441 1 9 . 1 1 4 4 SER HA H 4 4.375 4.375 4.461 -0.086 19501
442 1 9 . 1 1 4 4 SER CA C 4 58.952 58.952 59.711 -0.759 19501
443 1 9 . 1 1 4 4 SER CB C 4 62.726 62.726 63.321 -0.595 19501
444 1 9 . 1 1 4 4 SER H H 4 7.916 7.916 7.870 0.046 19501
445 1 9 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.901 0.321 19501
446 1 9 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.628 -1.306 19501
447 1 9 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.379 -1.298 19501
448 1 9 . 1 1 5 5 HIS H H 5 8.131 8.131 7.651 0.480 19501
449 1 9 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.096 0.199 19501
450 1 9 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.865 0.206 19501
451 1 9 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.944 0.190 19501
452 1 9 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.256 -0.073 19501
453 1 9 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.457 -0.299 19501
454 1 9 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.367 -0.117 19501
455 1 9 . 1 1 7 7 ALA H H 7 8.460 8.460 8.308 0.152 19501
456 1 9 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.956 -0.356 19501
457 1 9 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.348 -3.476 19501
458 1 9 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.217 14.869 19501
459 1 9 . 1 1 8 8 CYS H H 8 7.571 7.571 7.923 -0.352 19501
460 1 9 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.548 0.057 19501
461 1 9 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.656 -3.029 19501
462 1 9 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.571 0.672 19501
463 1 9 . 1 1 9 9 ASN H H 9 8.578 8.578 8.360 0.218 19501
464 1 9 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.842 0.063 19501
465 1 9 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.650 -1.455 19501
466 1 9 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.172 0.753 19501
467 1 9 . 1 1 10 10 VAL H H 10 7.945 7.945 7.694 0.251 19501
468 1 9 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.498 0.209 19501
469 1 9 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.614 -1.660 19501
470 1 9 . 1 1 11 11 ASP CB C 11 38.561 38.561 41.004 -2.443 19501
471 1 9 . 1 1 11 11 ASP H H 11 7.565 7.565 8.085 -0.520 19501
472 1 9 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.008 0.187 19501
473 1 9 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.260 -0.021 19501
474 1 9 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.149 -1.499 19501
475 1 9 . 1 1 12 12 HIS H H 12 7.908 7.908 7.530 0.378 19501
476 1 9 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.383 0.130 19501
477 1 9 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.501 0.164 19501
478 1 9 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.108 -0.666 19501
479 1 9 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.173 0.170 19501
480 1 9 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.825 -0.485 19501
481 1 9 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.969 -1.066 19501
482 1 9 . 1 1 14 14 GLU H H 14 9.151 9.151 8.536 0.615 19501
483 1 9 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.116 0.185 19501
484 1 9 . 1 1 15 15 ILE CA C 15 61.870 61.870 62.401 -0.531 19501
485 1 9 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.585 -0.387 19501
486 1 9 . 1 1 15 15 ILE H H 15 7.596 7.596 7.509 0.087 19501
487 1 10 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.203 0.453 19501
488 1 10 . 1 1 2 2 CYS CA C 2 57.748 57.748 61.593 -3.845 19501
489 1 10 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.303 15.490 19501
490 1 10 . 1 1 2 2 CYS H H 2 8.909 8.909 8.141 0.768 19501
491 1 10 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.311 0.171 19501
492 1 10 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.544 -4.795 19501
493 1 10 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.469 10.017 19501
494 1 10 . 1 1 3 3 CYS H H 3 8.704 8.704 8.293 0.411 19501
495 1 10 . 1 1 4 4 SER HA H 4 4.375 4.375 4.397 -0.022 19501
496 1 10 . 1 1 4 4 SER CA C 4 58.952 58.952 59.831 -0.879 19501
497 1 10 . 1 1 4 4 SER CB C 4 62.726 62.726 63.042 -0.316 19501
498 1 10 . 1 1 4 4 SER H H 4 7.916 7.916 7.768 0.148 19501
499 1 10 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.894 0.328 19501
500 1 10 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.681 -1.359 19501
501 1 10 . 1 1 5 5 HIS CB C 5 29.081 29.081 31.059 -1.978 19501
502 1 10 . 1 1 5 5 HIS H H 5 8.131 8.131 7.716 0.415 19501
503 1 10 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.187 0.108 19501
504 1 10 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.329 0.743 19501
505 1 10 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.955 0.179 19501
506 1 10 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.182 0.001 19501
507 1 10 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.627 -0.469 19501
508 1 10 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.144 0.106 19501
509 1 10 . 1 1 7 7 ALA H H 7 8.460 8.460 8.468 -0.008 19501
510 1 10 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.994 -0.394 19501
511 1 10 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.409 -3.537 19501
512 1 10 . 1 1 8 8 CYS CB C 8 41.086 41.086 25.658 15.428 19501
513 1 10 . 1 1 8 8 CYS H H 8 7.571 7.571 8.289 -0.718 19501
514 1 10 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.503 0.102 19501
515 1 10 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.561 -2.934 19501
516 1 10 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.749 0.493 19501
517 1 10 . 1 1 9 9 ASN H H 9 8.578 8.578 8.102 0.476 19501
518 1 10 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.879 0.026 19501
519 1 10 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.172 -0.977 19501
520 1 10 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.348 0.578 19501
521 1 10 . 1 1 10 10 VAL H H 10 7.945 7.945 7.569 0.376 19501
522 1 10 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.520 0.187 19501
523 1 10 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.044 -1.090 19501
524 1 10 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.749 -2.188 19501
525 1 10 . 1 1 11 11 ASP H H 11 7.565 7.565 7.965 -0.400 19501
526 1 10 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.999 0.196 19501
527 1 10 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.397 -0.158 19501
528 1 10 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.305 -1.655 19501
529 1 10 . 1 1 12 12 HIS H H 12 7.908 7.908 7.444 0.464 19501
530 1 10 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.296 0.217 19501
531 1 10 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.878 -0.213 19501
532 1 10 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.843 -0.401 19501
533 1 10 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.206 0.137 19501
534 1 10 . 1 1 14 14 GLU CA C 14 57.340 57.340 58.221 -0.881 19501
535 1 10 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.187 -1.284 19501
536 1 10 . 1 1 14 14 GLU H H 14 9.151 9.151 8.745 0.406 19501
537 1 10 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.253 0.048 19501
538 1 10 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.527 0.343 19501
539 1 10 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.787 -0.589 19501
540 1 10 . 1 1 15 15 ILE H H 15 7.596 7.596 7.612 -0.016 19501
541 1 11 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.232 0.424 19501
542 1 11 . 1 1 2 2 CYS CA C 2 57.748 57.748 61.066 -3.318 19501
543 1 11 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.552 16.241 19501
544 1 11 . 1 1 2 2 CYS H H 2 8.909 8.909 8.464 0.445 19501
545 1 11 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.273 0.209 19501
546 1 11 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.968 -5.220 19501
547 1 11 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.633 9.853 19501
548 1 11 . 1 1 3 3 CYS H H 3 8.704 8.704 8.218 0.486 19501
549 1 11 . 1 1 4 4 SER HA H 4 4.375 4.375 4.409 -0.034 19501
550 1 11 . 1 1 4 4 SER CA C 4 58.952 58.952 59.178 -0.226 19501
551 1 11 . 1 1 4 4 SER CB C 4 62.726 62.726 63.081 -0.355 19501
552 1 11 . 1 1 4 4 SER H H 4 7.916 7.916 7.857 0.059 19501
553 1 11 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.971 0.251 19501
554 1 11 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.964 -1.642 19501
555 1 11 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.744 -1.663 19501
556 1 11 . 1 1 5 5 HIS H H 5 8.131 8.131 7.717 0.414 19501
557 1 11 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.096 0.199 19501
558 1 11 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.825 0.247 19501
559 1 11 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.008 0.126 19501
560 1 11 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.199 -0.016 19501
561 1 11 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.718 -0.560 19501
562 1 11 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.292 -0.042 19501
563 1 11 . 1 1 7 7 ALA H H 7 8.460 8.460 8.352 0.108 19501
564 1 11 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.966 -0.366 19501
565 1 11 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.309 -3.437 19501
566 1 11 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.151 14.934 19501
567 1 11 . 1 1 8 8 CYS H H 8 7.571 7.571 7.942 -0.371 19501
568 1 11 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.578 0.027 19501
569 1 11 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.525 -2.898 19501
570 1 11 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.561 0.681 19501
571 1 11 . 1 1 9 9 ASN H H 9 8.578 8.578 8.247 0.331 19501
572 1 11 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.796 0.109 19501
573 1 11 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.835 -1.640 19501
574 1 11 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.255 0.671 19501
575 1 11 . 1 1 10 10 VAL H H 10 7.945 7.945 7.630 0.315 19501
576 1 11 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.455 0.252 19501
577 1 11 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.349 -1.395 19501
578 1 11 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.948 -2.387 19501
579 1 11 . 1 1 11 11 ASP H H 11 7.565 7.565 7.942 -0.377 19501
580 1 11 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.197 -0.002 19501
581 1 11 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.209 0.030 19501
582 1 11 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.291 -0.641 19501
583 1 11 . 1 1 12 12 HIS H H 12 7.908 7.908 7.339 0.569 19501
584 1 11 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.311 0.202 19501
585 1 11 . 1 1 13 13 PRO CA C 13 64.665 64.665 65.010 -0.345 19501
586 1 11 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.915 -0.473 19501
587 1 11 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.256 0.087 19501
588 1 11 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.276 0.064 19501
589 1 11 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.703 -0.800 19501
590 1 11 . 1 1 14 14 GLU H H 14 9.151 9.151 8.572 0.579 19501
591 1 11 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.102 0.199 19501
592 1 11 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.772 0.098 19501
593 1 11 . 1 1 15 15 ILE CB C 15 39.198 39.198 38.312 0.886 19501
594 1 11 . 1 1 15 15 ILE H H 15 7.596 7.596 7.509 0.087 19501
595 1 12 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.413 0.243 19501
596 1 12 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.116 -2.368 19501
597 1 12 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.320 15.473 19501
598 1 12 . 1 1 2 2 CYS H H 2 8.909 8.909 8.636 0.273 19501
599 1 12 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.492 -0.010 19501
600 1 12 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.424 -4.675 19501
601 1 12 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.629 9.857 19501
602 1 12 . 1 1 3 3 CYS H H 3 8.704 8.704 8.204 0.500 19501
603 1 12 . 1 1 4 4 SER HA H 4 4.375 4.375 4.511 -0.136 19501
604 1 12 . 1 1 4 4 SER CA C 4 58.952 58.952 58.679 0.273 19501
605 1 12 . 1 1 4 4 SER CB C 4 62.726 62.726 62.875 -0.149 19501
606 1 12 . 1 1 4 4 SER H H 4 7.916 7.916 7.615 0.301 19501
607 1 12 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.911 0.311 19501
608 1 12 . 1 1 5 5 HIS CA C 5 52.322 52.322 52.846 -0.524 19501
609 1 12 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.117 -1.036 19501
610 1 12 . 1 1 5 5 HIS H H 5 8.131 8.131 7.662 0.469 19501
611 1 12 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.182 0.113 19501
612 1 12 . 1 1 6 6 PRO CA C 6 66.072 66.072 66.050 0.022 19501
613 1 12 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.941 0.193 19501
614 1 12 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.337 -0.154 19501
615 1 12 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.205 -0.047 19501
616 1 12 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.130 0.120 19501
617 1 12 . 1 1 7 7 ALA H H 7 8.460 8.460 8.448 0.012 19501
618 1 12 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.816 -0.216 19501
619 1 12 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.333 -3.461 19501
620 1 12 . 1 1 8 8 CYS CB C 8 41.086 41.086 27.532 13.554 19501
621 1 12 . 1 1 8 8 CYS H H 8 7.571 7.571 7.930 -0.359 19501
622 1 12 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.840 -0.235 19501
623 1 12 . 1 1 9 9 ASN CA C 9 53.627 53.627 55.310 -1.683 19501
624 1 12 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.528 0.714 19501
625 1 12 . 1 1 9 9 ASN H H 9 8.578 8.578 8.314 0.264 19501
626 1 12 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.901 0.004 19501
627 1 12 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.203 -1.008 19501
628 1 12 . 1 1 10 10 VAL CB C 10 31.926 31.926 32.267 -0.341 19501
629 1 12 . 1 1 10 10 VAL H H 10 7.945 7.945 7.855 0.090 19501
630 1 12 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.669 0.038 19501
631 1 12 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.061 -1.107 19501
632 1 12 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.665 -2.104 19501
633 1 12 . 1 1 11 11 ASP H H 11 7.565 7.565 7.845 -0.280 19501
634 1 12 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.908 0.287 19501
635 1 12 . 1 1 12 12 HIS CA C 12 54.239 54.239 53.781 0.458 19501
636 1 12 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.446 -0.796 19501
637 1 12 . 1 1 12 12 HIS H H 12 7.908 7.908 8.116 -0.208 19501
638 1 12 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.361 0.152 19501
639 1 12 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.549 0.116 19501
640 1 12 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.005 -0.563 19501
641 1 12 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.275 0.068 19501
642 1 12 . 1 1 14 14 GLU CA C 14 57.340 57.340 56.645 0.695 19501
643 1 12 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.953 -1.050 19501
644 1 12 . 1 1 14 14 GLU H H 14 9.151 9.151 8.547 0.604 19501
645 1 12 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.246 0.055 19501
646 1 12 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.733 0.137 19501
647 1 12 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.115 0.083 19501
648 1 12 . 1 1 15 15 ILE H H 15 7.596 7.596 7.582 0.014 19501
649 1 13 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.332 0.324 19501
650 1 13 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.736 -2.988 19501
651 1 13 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.596 15.197 19501
652 1 13 . 1 1 2 2 CYS H H 2 8.909 8.909 8.508 0.401 19501
653 1 13 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.425 0.057 19501
654 1 13 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.447 -4.698 19501
655 1 13 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.580 9.906 19501
656 1 13 . 1 1 3 3 CYS H H 3 8.704 8.704 8.242 0.462 19501
657 1 13 . 1 1 4 4 SER HA H 4 4.375 4.375 4.383 -0.008 19501
658 1 13 . 1 1 4 4 SER CA C 4 58.952 58.952 59.935 -0.983 19501
659 1 13 . 1 1 4 4 SER CB C 4 62.726 62.726 62.883 -0.157 19501
660 1 13 . 1 1 4 4 SER H H 4 7.916 7.916 7.919 -0.003 19501
661 1 13 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.885 0.337 19501
662 1 13 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.421 -1.099 19501
663 1 13 . 1 1 5 5 HIS CB C 5 29.081 29.081 31.843 -2.762 19501
664 1 13 . 1 1 5 5 HIS H H 5 8.131 8.131 7.485 0.646 19501
665 1 13 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.355 -0.060 19501
666 1 13 . 1 1 6 6 PRO CA C 6 66.072 66.072 64.935 1.137 19501
667 1 13 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.319 -0.185 19501
668 1 13 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.207 -0.024 19501
669 1 13 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.576 -0.418 19501
670 1 13 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.219 0.031 19501
671 1 13 . 1 1 7 7 ALA H H 7 8.460 8.460 8.509 -0.049 19501
672 1 13 . 1 1 8 8 CYS HA H 8 4.600 4.600 5.016 -0.416 19501
673 1 13 . 1 1 8 8 CYS CA C 8 55.872 55.872 58.227 -2.355 19501
674 1 13 . 1 1 8 8 CYS CB C 8 41.086 41.086 25.169 15.917 19501
675 1 13 . 1 1 8 8 CYS H H 8 7.571 7.571 8.499 -0.928 19501
676 1 13 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.670 -0.065 19501
677 1 13 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.370 -2.743 19501
678 1 13 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.933 0.309 19501
679 1 13 . 1 1 9 9 ASN H H 9 8.578 8.578 7.607 0.971 19501
680 1 13 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.997 -0.092 19501
681 1 13 . 1 1 10 10 VAL CA C 10 64.195 64.195 64.809 -0.614 19501
682 1 13 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.747 0.179 19501
683 1 13 . 1 1 10 10 VAL H H 10 7.945 7.945 7.773 0.172 19501
684 1 13 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.543 0.164 19501
685 1 13 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.465 -1.512 19501
686 1 13 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.854 -2.293 19501
687 1 13 . 1 1 11 11 ASP H H 11 7.565 7.565 8.423 -0.858 19501
688 1 13 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.011 0.184 19501
689 1 13 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.155 0.084 19501
690 1 13 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.031 -1.381 19501
691 1 13 . 1 1 12 12 HIS H H 12 7.908 7.908 7.376 0.532 19501
692 1 13 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.400 0.113 19501
693 1 13 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.711 -0.046 19501
694 1 13 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.010 -0.568 19501
695 1 13 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.199 0.144 19501
696 1 13 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.736 -0.396 19501
697 1 13 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.099 -1.196 19501
698 1 13 . 1 1 14 14 GLU H H 14 9.151 9.151 8.456 0.695 19501
699 1 13 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.214 0.087 19501
700 1 13 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.687 0.183 19501
701 1 13 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.337 -0.139 19501
702 1 13 . 1 1 15 15 ILE H H 15 7.596 7.596 7.521 0.075 19501
703 1 14 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.543 0.113 19501
704 1 14 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.267 -2.519 19501
705 1 14 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.788 16.005 19501
706 1 14 . 1 1 2 2 CYS H H 2 8.909 8.909 8.303 0.606 19501
707 1 14 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.288 0.194 19501
708 1 14 . 1 1 3 3 CYS CA C 3 55.749 55.749 59.980 -4.231 19501
709 1 14 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.944 9.542 19501
710 1 14 . 1 1 3 3 CYS H H 3 8.704 8.704 7.954 0.750 19501
711 1 14 . 1 1 4 4 SER HA H 4 4.375 4.375 4.245 0.130 19501
712 1 14 . 1 1 4 4 SER CA C 4 58.952 58.952 60.369 -1.417 19501
713 1 14 . 1 1 4 4 SER CB C 4 62.726 62.726 62.947 -0.221 19501
714 1 14 . 1 1 4 4 SER H H 4 7.916 7.916 7.482 0.434 19501
715 1 14 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.827 0.395 19501
716 1 14 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.160 -0.838 19501
717 1 14 . 1 1 5 5 HIS CB C 5 29.081 29.081 29.976 -0.895 19501
718 1 14 . 1 1 5 5 HIS H H 5 8.131 8.131 7.291 0.840 19501
719 1 14 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.169 0.126 19501
720 1 14 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.893 0.179 19501
721 1 14 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.948 0.186 19501
722 1 14 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.270 -0.087 19501
723 1 14 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.443 -0.285 19501
724 1 14 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.177 0.073 19501
725 1 14 . 1 1 7 7 ALA H H 7 8.460 8.460 8.353 0.107 19501
726 1 14 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.866 -0.266 19501
727 1 14 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.112 -3.240 19501
728 1 14 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.207 14.879 19501
729 1 14 . 1 1 8 8 CYS H H 8 7.571 7.571 7.975 -0.404 19501
730 1 14 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.483 0.122 19501
731 1 14 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.939 -3.312 19501
732 1 14 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.415 0.827 19501
733 1 14 . 1 1 9 9 ASN H H 9 8.578 8.578 8.221 0.357 19501
734 1 14 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.836 0.069 19501
735 1 14 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.384 -1.189 19501
736 1 14 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.831 0.096 19501
737 1 14 . 1 1 10 10 VAL H H 10 7.945 7.945 7.881 0.064 19501
738 1 14 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.513 0.194 19501
739 1 14 . 1 1 11 11 ASP CA C 11 52.954 52.954 53.995 -1.041 19501
740 1 14 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.690 -2.128 19501
741 1 14 . 1 1 11 11 ASP H H 11 7.565 7.565 7.753 -0.188 19501
742 1 14 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.991 0.204 19501
743 1 14 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.159 0.080 19501
744 1 14 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.353 -1.703 19501
745 1 14 . 1 1 12 12 HIS H H 12 7.908 7.908 7.605 0.303 19501
746 1 14 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.376 0.137 19501
747 1 14 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.864 -0.199 19501
748 1 14 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.829 -0.387 19501
749 1 14 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.252 0.091 19501
750 1 14 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.741 -0.401 19501
751 1 14 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.173 -1.270 19501
752 1 14 . 1 1 14 14 GLU H H 14 9.151 9.151 8.764 0.387 19501
753 1 14 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.251 0.050 19501
754 1 14 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.627 0.243 19501
755 1 14 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.500 -0.302 19501
756 1 14 . 1 1 15 15 ILE H H 15 7.596 7.596 7.553 0.043 19501
757 1 15 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.311 0.345 19501
758 1 15 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.663 -2.915 19501
759 1 15 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.976 15.817 19501
760 1 15 . 1 1 2 2 CYS H H 2 8.909 8.909 8.779 0.130 19501
761 1 15 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.261 0.221 19501
762 1 15 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.769 -5.020 19501
763 1 15 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.757 9.729 19501
764 1 15 . 1 1 3 3 CYS H H 3 8.704 8.704 8.333 0.371 19501
765 1 15 . 1 1 4 4 SER HA H 4 4.375 4.375 4.550 -0.175 19501
766 1 15 . 1 1 4 4 SER CA C 4 58.952 58.952 59.153 -0.201 19501
767 1 15 . 1 1 4 4 SER CB C 4 62.726 62.726 62.730 -0.004 19501
768 1 15 . 1 1 4 4 SER H H 4 7.916 7.916 7.960 -0.044 19501
769 1 15 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.901 0.321 19501
770 1 15 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.796 -1.474 19501
771 1 15 . 1 1 5 5 HIS CB C 5 29.081 29.081 31.067 -1.986 19501
772 1 15 . 1 1 5 5 HIS H H 5 8.131 8.131 7.612 0.519 19501
773 1 15 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.105 0.190 19501
774 1 15 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.775 0.297 19501
775 1 15 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.002 0.133 19501
776 1 15 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.184 -0.001 19501
777 1 15 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.706 -0.548 19501
778 1 15 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.260 -0.010 19501
779 1 15 . 1 1 7 7 ALA H H 7 8.460 8.460 8.398 0.062 19501
780 1 15 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.559 0.041 19501
781 1 15 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.757 -3.885 19501
782 1 15 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.219 14.867 19501
783 1 15 . 1 1 8 8 CYS H H 8 7.571 7.571 7.859 -0.288 19501
784 1 15 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.727 -0.122 19501
785 1 15 . 1 1 9 9 ASN CA C 9 53.627 53.627 55.685 -2.058 19501
786 1 15 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.794 0.448 19501
787 1 15 . 1 1 9 9 ASN H H 9 8.578 8.578 7.945 0.633 19501
788 1 15 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.833 0.072 19501
789 1 15 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.505 -1.310 19501
790 1 15 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.654 0.272 19501
791 1 15 . 1 1 10 10 VAL H H 10 7.945 7.945 8.332 -0.387 19501
792 1 15 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.585 0.122 19501
793 1 15 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.062 -1.109 19501
794 1 15 . 1 1 11 11 ASP CB C 11 38.561 38.561 41.428 -2.867 19501
795 1 15 . 1 1 11 11 ASP H H 11 7.565 7.565 8.172 -0.607 19501
796 1 15 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.050 0.145 19501
797 1 15 . 1 1 12 12 HIS CA C 12 54.239 54.239 53.099 1.140 19501
798 1 15 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.674 -1.024 19501
799 1 15 . 1 1 12 12 HIS H H 12 7.908 7.908 7.720 0.188 19501
800 1 15 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.448 0.065 19501
801 1 15 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.578 0.087 19501
802 1 15 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.089 -0.647 19501
803 1 15 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.176 0.167 19501
804 1 15 . 1 1 14 14 GLU CA C 14 57.340 57.340 58.236 -0.896 19501
805 1 15 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.009 -1.105 19501
806 1 15 . 1 1 14 14 GLU H H 14 9.151 9.151 8.538 0.613 19501
807 1 15 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.124 0.177 19501
808 1 15 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.601 0.269 19501
809 1 15 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.245 -0.047 19501
810 1 15 . 1 1 15 15 ILE H H 15 7.596 7.596 7.505 0.091 19501
811 1 16 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.347 0.309 19501
812 1 16 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.981 -3.233 19501
813 1 16 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.737 16.056 19501
814 1 16 . 1 1 2 2 CYS H H 2 8.909 8.909 8.491 0.418 19501
815 1 16 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.288 0.194 19501
816 1 16 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.644 -4.895 19501
817 1 16 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.790 9.696 19501
818 1 16 . 1 1 3 3 CYS H H 3 8.704 8.704 8.208 0.496 19501
819 1 16 . 1 1 4 4 SER HA H 4 4.375 4.375 4.422 -0.047 19501
820 1 16 . 1 1 4 4 SER CA C 4 58.952 58.952 59.337 -0.385 19501
821 1 16 . 1 1 4 4 SER CB C 4 62.726 62.726 63.080 -0.354 19501
822 1 16 . 1 1 4 4 SER H H 4 7.916 7.916 7.811 0.105 19501
823 1 16 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.902 0.320 19501
824 1 16 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.845 -1.523 19501
825 1 16 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.983 -1.902 19501
826 1 16 . 1 1 5 5 HIS H H 5 8.131 8.131 7.640 0.491 19501
827 1 16 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.114 0.181 19501
828 1 16 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.842 0.230 19501
829 1 16 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.048 0.086 19501
830 1 16 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.172 0.011 19501
831 1 16 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.770 -0.612 19501
832 1 16 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.139 0.111 19501
833 1 16 . 1 1 7 7 ALA H H 7 8.460 8.460 8.443 0.017 19501
834 1 16 . 1 1 8 8 CYS HA H 8 4.600 4.600 5.067 -0.467 19501
835 1 16 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.591 -3.719 19501
836 1 16 . 1 1 8 8 CYS CB C 8 41.086 41.086 25.920 15.166 19501
837 1 16 . 1 1 8 8 CYS H H 8 7.571 7.571 8.310 -0.739 19501
838 1 16 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.513 0.092 19501
839 1 16 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.662 -3.035 19501
840 1 16 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.571 0.671 19501
841 1 16 . 1 1 9 9 ASN H H 9 8.578 8.578 8.425 0.153 19501
842 1 16 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.877 0.028 19501
843 1 16 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.165 -0.970 19501
844 1 16 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.364 0.562 19501
845 1 16 . 1 1 10 10 VAL H H 10 7.945 7.945 7.605 0.340 19501
846 1 16 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.459 0.248 19501
847 1 16 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.441 -1.487 19501
848 1 16 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.924 -2.363 19501
849 1 16 . 1 1 11 11 ASP H H 11 7.565 7.565 7.725 -0.160 19501
850 1 16 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.991 0.204 19501
851 1 16 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.313 -0.074 19501
852 1 16 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.172 -1.522 19501
853 1 16 . 1 1 12 12 HIS H H 12 7.908 7.908 7.436 0.472 19501
854 1 16 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.317 0.196 19501
855 1 16 . 1 1 13 13 PRO CA C 13 64.665 64.665 65.096 -0.431 19501
856 1 16 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.799 -0.357 19501
857 1 16 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.226 0.117 19501
858 1 16 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.983 -0.643 19501
859 1 16 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.206 -1.303 19501
860 1 16 . 1 1 14 14 GLU H H 14 9.151 9.151 8.831 0.320 19501
861 1 16 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.172 0.129 19501
862 1 16 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.528 0.342 19501
863 1 16 . 1 1 15 15 ILE CB C 15 39.198 39.198 38.691 0.507 19501
864 1 16 . 1 1 15 15 ILE H H 15 7.596 7.596 7.569 0.027 19501
865 1 17 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.254 0.402 19501
866 1 17 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.723 -2.975 19501
867 1 17 . 1 1 2 2 CYS CB C 2 41.793 41.793 25.731 16.062 19501
868 1 17 . 1 1 2 2 CYS H H 2 8.909 8.909 8.648 0.261 19501
869 1 17 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.319 0.163 19501
870 1 17 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.606 -4.857 19501
871 1 17 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.318 10.168 19501
872 1 17 . 1 1 3 3 CYS H H 3 8.704 8.704 8.067 0.637 19501
873 1 17 . 1 1 4 4 SER HA H 4 4.375 4.375 4.453 -0.078 19501
874 1 17 . 1 1 4 4 SER CA C 4 58.952 58.952 58.797 0.155 19501
875 1 17 . 1 1 4 4 SER CB C 4 62.726 62.726 62.994 -0.268 19501
876 1 17 . 1 1 4 4 SER H H 4 7.916 7.916 7.728 0.188 19501
877 1 17 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.864 0.358 19501
878 1 17 . 1 1 5 5 HIS CA C 5 52.322 52.322 52.883 -0.561 19501
879 1 17 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.547 -1.466 19501
880 1 17 . 1 1 5 5 HIS H H 5 8.131 8.131 7.481 0.650 19501
881 1 17 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.165 0.130 19501
882 1 17 . 1 1 6 6 PRO CA C 6 66.072 66.072 66.182 -0.110 19501
883 1 17 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.895 0.238 19501
884 1 17 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.238 -0.055 19501
885 1 17 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.550 -0.392 19501
886 1 17 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.081 0.169 19501
887 1 17 . 1 1 7 7 ALA H H 7 8.460 8.460 8.436 0.024 19501
888 1 17 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.958 -0.358 19501
889 1 17 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.421 -3.549 19501
890 1 17 . 1 1 8 8 CYS CB C 8 41.086 41.086 25.854 15.232 19501
891 1 17 . 1 1 8 8 CYS H H 8 7.571 7.571 7.885 -0.314 19501
892 1 17 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.454 0.151 19501
893 1 17 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.280 -2.653 19501
894 1 17 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.717 0.525 19501
895 1 17 . 1 1 9 9 ASN H H 9 8.578 8.578 8.178 0.400 19501
896 1 17 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.886 0.019 19501
897 1 17 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.769 -1.574 19501
898 1 17 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.329 0.597 19501
899 1 17 . 1 1 10 10 VAL H H 10 7.945 7.945 7.709 0.236 19501
900 1 17 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.630 0.077 19501
901 1 17 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.805 -1.851 19501
902 1 17 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.950 -2.389 19501
903 1 17 . 1 1 11 11 ASP H H 11 7.565 7.565 7.822 -0.257 19501
904 1 17 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.847 0.348 19501
905 1 17 . 1 1 12 12 HIS CA C 12 54.239 54.239 52.829 1.410 19501
906 1 17 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.544 -0.894 19501
907 1 17 . 1 1 12 12 HIS H H 12 7.908 7.908 7.711 0.197 19501
908 1 17 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.561 -0.048 19501
909 1 17 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.271 0.394 19501
910 1 17 . 1 1 13 13 PRO CB C 13 31.442 31.442 32.231 -0.789 19501
911 1 17 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.349 -0.006 19501
912 1 17 . 1 1 14 14 GLU CA C 14 57.340 57.340 56.819 0.521 19501
913 1 17 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.541 -1.638 19501
914 1 17 . 1 1 14 14 GLU H H 14 9.151 9.151 8.603 0.548 19501
915 1 17 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.248 0.053 19501
916 1 17 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.542 0.328 19501
917 1 17 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.453 -0.254 19501
918 1 17 . 1 1 15 15 ILE H H 15 7.596 7.596 7.562 0.034 19501
919 1 18 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.208 0.448 19501
920 1 18 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.854 -3.106 19501
921 1 18 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.027 15.766 19501
922 1 18 . 1 1 2 2 CYS H H 2 8.909 8.909 8.623 0.286 19501
923 1 18 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.241 0.241 19501
924 1 18 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.708 -4.959 19501
925 1 18 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.599 9.887 19501
926 1 18 . 1 1 3 3 CYS H H 3 8.704 8.704 8.271 0.433 19501
927 1 18 . 1 1 4 4 SER HA H 4 4.375 4.375 4.351 0.024 19501
928 1 18 . 1 1 4 4 SER CA C 4 58.952 58.952 59.942 -0.990 19501
929 1 18 . 1 1 4 4 SER CB C 4 62.726 62.726 63.031 -0.305 19501
930 1 18 . 1 1 4 4 SER H H 4 7.916 7.916 7.826 0.090 19501
931 1 18 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.931 0.291 19501
932 1 18 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.495 -1.173 19501
933 1 18 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.839 -1.758 19501
934 1 18 . 1 1 5 5 HIS H H 5 8.131 8.131 7.658 0.473 19501
935 1 18 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.159 0.136 19501
936 1 18 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.466 0.606 19501
937 1 18 . 1 1 6 6 PRO CB C 6 32.134 32.134 31.942 0.192 19501
938 1 18 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.245 -0.062 19501
939 1 18 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.333 -0.175 19501
940 1 18 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.359 -0.109 19501
941 1 18 . 1 1 7 7 ALA H H 7 8.460 8.460 8.377 0.083 19501
942 1 18 . 1 1 8 8 CYS HA H 8 4.600 4.600 5.244 -0.644 19501
943 1 18 . 1 1 8 8 CYS CA C 8 55.872 55.872 58.388 -2.516 19501
944 1 18 . 1 1 8 8 CYS CB C 8 41.086 41.086 27.289 13.797 19501
945 1 18 . 1 1 8 8 CYS H H 8 7.571 7.571 7.944 -0.373 19501
946 1 18 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.497 0.108 19501
947 1 18 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.721 -3.094 19501
948 1 18 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.506 0.736 19501
949 1 18 . 1 1 9 9 ASN H H 9 8.578 8.578 8.403 0.175 19501
950 1 18 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.934 -0.029 19501
951 1 18 . 1 1 10 10 VAL CA C 10 64.195 64.195 64.875 -0.680 19501
952 1 18 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.999 -0.073 19501
953 1 18 . 1 1 10 10 VAL H H 10 7.945 7.945 7.599 0.346 19501
954 1 18 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.539 0.168 19501
955 1 18 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.375 -1.421 19501
956 1 18 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.566 -2.005 19501
957 1 18 . 1 1 11 11 ASP H H 11 7.565 7.565 7.930 -0.365 19501
958 1 18 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.025 0.170 19501
959 1 18 . 1 1 12 12 HIS CA C 12 54.239 54.239 53.677 0.562 19501
960 1 18 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.973 -1.323 19501
961 1 18 . 1 1 12 12 HIS H H 12 7.908 7.908 7.702 0.206 19501
962 1 18 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.482 0.031 19501
963 1 18 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.391 0.274 19501
964 1 18 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.954 -0.512 19501
965 1 18 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.218 0.125 19501
966 1 18 . 1 1 14 14 GLU CA C 14 57.340 57.340 58.051 -0.711 19501
967 1 18 . 1 1 14 14 GLU CB C 14 27.903 27.903 28.922 -1.019 19501
968 1 18 . 1 1 14 14 GLU H H 14 9.151 9.151 8.570 0.581 19501
969 1 18 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.194 0.107 19501
970 1 18 . 1 1 15 15 ILE CA C 15 61.870 61.870 62.343 -0.472 19501
971 1 18 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.883 -0.685 19501
972 1 18 . 1 1 15 15 ILE H H 15 7.596 7.596 7.521 0.075 19501
973 1 19 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.832 -0.176 19501
974 1 19 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.158 -2.410 19501
975 1 19 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.250 15.543 19501
976 1 19 . 1 1 2 2 CYS H H 2 8.909 8.909 8.546 0.363 19501
977 1 19 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.338 0.144 19501
978 1 19 . 1 1 3 3 CYS CA C 3 55.749 55.749 59.836 -4.087 19501
979 1 19 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.705 9.781 19501
980 1 19 . 1 1 3 3 CYS H H 3 8.704 8.704 7.888 0.816 19501
981 1 19 . 1 1 4 4 SER HA H 4 4.375 4.375 4.264 0.111 19501
982 1 19 . 1 1 4 4 SER CA C 4 58.952 58.952 60.229 -1.277 19501
983 1 19 . 1 1 4 4 SER CB C 4 62.726 62.726 63.027 -0.301 19501
984 1 19 . 1 1 4 4 SER H H 4 7.916 7.916 7.659 0.257 19501
985 1 19 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.755 0.467 19501
986 1 19 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.718 -1.397 19501
987 1 19 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.570 -1.489 19501
988 1 19 . 1 1 5 5 HIS H H 5 8.131 8.131 7.260 0.871 19501
989 1 19 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.432 -0.137 19501
990 1 19 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.221 0.851 19501
991 1 19 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.279 -0.145 19501
992 1 19 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.236 -0.053 19501
993 1 19 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.473 -0.315 19501
994 1 19 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.080 0.170 19501
995 1 19 . 1 1 7 7 ALA H H 7 8.460 8.460 8.294 0.166 19501
996 1 19 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.830 -0.230 19501
997 1 19 . 1 1 8 8 CYS CA C 8 55.872 55.872 58.918 -3.046 19501
998 1 19 . 1 1 8 8 CYS CB C 8 41.086 41.086 25.073 16.013 19501
999 1 19 . 1 1 8 8 CYS H H 8 7.571 7.571 8.396 -0.825 19501
1000 1 19 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.655 -0.050 19501
1001 1 19 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.400 -2.773 19501
1002 1 19 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.835 0.407 19501
1003 1 19 . 1 1 9 9 ASN H H 9 8.578 8.578 7.558 1.020 19501
1004 1 19 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.786 0.119 19501
1005 1 19 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.752 -1.557 19501
1006 1 19 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.770 0.156 19501
1007 1 19 . 1 1 10 10 VAL H H 10 7.945 7.945 7.436 0.509 19501
1008 1 19 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.452 0.255 19501
1009 1 19 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.667 -1.713 19501
1010 1 19 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.342 -1.781 19501
1011 1 19 . 1 1 11 11 ASP H H 11 7.565 7.565 8.378 -0.813 19501
1012 1 19 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.002 0.193 19501
1013 1 19 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.085 0.154 19501
1014 1 19 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.920 -1.270 19501
1015 1 19 . 1 1 12 12 HIS H H 12 7.908 7.908 7.844 0.064 19501
1016 1 19 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.384 0.129 19501
1017 1 19 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.971 -0.306 19501
1018 1 19 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.931 -0.489 19501
1019 1 19 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.286 0.057 19501
1020 1 19 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.453 -0.113 19501
1021 1 19 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.200 -1.297 19501
1022 1 19 . 1 1 14 14 GLU H H 14 9.151 9.151 8.747 0.404 19501
1023 1 19 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.286 0.015 19501
1024 1 19 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.637 0.233 19501
1025 1 19 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.868 -0.670 19501
1026 1 19 . 1 1 15 15 ILE H H 15 7.596 7.596 7.751 -0.155 19501
1027 1 20 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.253 0.403 19501
1028 1 20 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.896 -3.148 19501
1029 1 20 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.011 15.782 19501
1030 1 20 . 1 1 2 2 CYS H H 2 8.909 8.909 8.694 0.215 19501
1031 1 20 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.258 0.224 19501
1032 1 20 . 1 1 3 3 CYS CA C 3 55.749 55.749 61.045 -5.296 19501
1033 1 20 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.692 9.794 19501
1034 1 20 . 1 1 3 3 CYS H H 3 8.704 8.704 8.266 0.438 19501
1035 1 20 . 1 1 4 4 SER HA H 4 4.375 4.375 4.294 0.081 19501
1036 1 20 . 1 1 4 4 SER CA C 4 58.952 58.952 59.976 -1.024 19501
1037 1 20 . 1 1 4 4 SER CB C 4 62.726 62.726 62.941 -0.215 19501
1038 1 20 . 1 1 4 4 SER H H 4 7.916 7.916 7.780 0.136 19501
1039 1 20 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.857 0.365 19501
1040 1 20 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.962 -1.640 19501
1041 1 20 . 1 1 5 5 HIS CB C 5 29.081 29.081 31.256 -2.175 19501
1042 1 20 . 1 1 5 5 HIS H H 5 8.131 8.131 7.546 0.585 19501
1043 1 20 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.398 -0.103 19501
1044 1 20 . 1 1 6 6 PRO CA C 6 66.072 66.072 64.727 1.345 19501
1045 1 20 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.413 -0.279 19501
1046 1 20 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.199 -0.016 19501
1047 1 20 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.569 -0.411 19501
1048 1 20 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.235 0.015 19501
1049 1 20 . 1 1 7 7 ALA H H 7 8.460 8.460 8.525 -0.065 19501
1050 1 20 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.941 -0.341 19501
1051 1 20 . 1 1 8 8 CYS CA C 8 55.872 55.872 58.676 -2.804 19501
1052 1 20 . 1 1 8 8 CYS CB C 8 41.086 41.086 24.854 16.232 19501
1053 1 20 . 1 1 8 8 CYS H H 8 7.571 7.571 8.531 -0.960 19501
1054 1 20 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.721 -0.116 19501
1055 1 20 . 1 1 9 9 ASN CA C 9 53.627 53.627 55.764 -2.137 19501
1056 1 20 . 1 1 9 9 ASN CB C 9 39.242 39.242 39.352 -0.110 19501
1057 1 20 . 1 1 9 9 ASN H H 9 8.578 8.578 7.513 1.065 19501
1058 1 20 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.787 0.118 19501
1059 1 20 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.882 -1.687 19501
1060 1 20 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.702 0.224 19501
1061 1 20 . 1 1 10 10 VAL H H 10 7.945 7.945 7.870 0.075 19501
1062 1 20 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.437 0.270 19501
1063 1 20 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.993 -2.039 19501
1064 1 20 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.721 -2.160 19501
1065 1 20 . 1 1 11 11 ASP H H 11 7.565 7.565 8.468 -0.903 19501
1066 1 20 . 1 1 12 12 HIS HA H 12 5.195 5.195 4.963 0.232 19501
1067 1 20 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.177 0.062 19501
1068 1 20 . 1 1 12 12 HIS CB C 12 28.650 28.650 30.815 -2.165 19501
1069 1 20 . 1 1 12 12 HIS H H 12 7.908 7.908 7.847 0.061 19501
1070 1 20 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.466 0.047 19501
1071 1 20 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.190 0.475 19501
1072 1 20 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.907 -0.465 19501
1073 1 20 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.355 -0.012 19501
1074 1 20 . 1 1 14 14 GLU CA C 14 57.340 57.340 56.952 0.388 19501
1075 1 20 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.380 -1.477 19501
1076 1 20 . 1 1 14 14 GLU H H 14 9.151 9.151 8.604 0.547 19501
1077 1 20 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.267 0.034 19501
1078 1 20 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.465 0.405 19501
1079 1 20 . 1 1 15 15 ILE CB C 15 39.198 39.198 38.825 0.373 19501
1080 1 20 . 1 1 15 15 ILE H H 15 7.596 7.596 7.554 0.042 19501
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19501
2 1 1 "Average Difference" HA 14 0.240 -0.090 0.231 19501
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19501
4 1 1 "Average Difference" CA 14 2.045 1.291 1.646 19501
5 1 1 "Average Difference" CB 14 6.475 -2.399 6.241 19501
6 1 1 "Average Difference" HN 12 0.439 -0.161 0.427 19501
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19501
8 1 2 "Average Difference" HA 14 0.190 -0.086 0.176 19501
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19501
10 1 2 "Average Difference" CA 14 2.068 1.424 1.556 19501
11 1 2 "Average Difference" CB 14 6.397 -2.515 6.104 19501
12 1 2 "Average Difference" HN 12 0.343 -0.182 0.303 19501
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19501
14 1 3 "Average Difference" HA 14 0.230 -0.056 0.231 19501
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19501
16 1 3 "Average Difference" CA 14 1.921 1.095 1.638 19501
17 1 3 "Average Difference" CB 14 6.305 -2.449 6.030 19501
18 1 3 "Average Difference" HN 12 0.449 -0.183 0.429 19501
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19501
20 1 4 "Average Difference" HA 14 0.215 -0.137 0.172 19501
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19501
22 1 4 "Average Difference" CA 14 2.029 1.233 1.672 19501
23 1 4 "Average Difference" CB 14 6.421 -2.437 6.165 19501
24 1 4 "Average Difference" HN 12 0.351 -0.193 0.306 19501
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19501
26 1 5 "Average Difference" HA 14 0.275 -0.083 0.272 19501
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19501
28 1 5 "Average Difference" CA 14 1.950 1.226 1.573 19501
29 1 5 "Average Difference" CB 14 6.417 -2.293 6.219 19501
30 1 5 "Average Difference" HN 12 0.499 -0.150 0.497 19501
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19501
32 1 6 "Average Difference" HA 14 0.166 -0.081 0.150 19501
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19501
34 1 6 "Average Difference" CA 14 2.101 1.335 1.683 19501
35 1 6 "Average Difference" CB 14 6.412 -2.468 6.141 19501
36 1 6 "Average Difference" HN 12 0.295 -0.138 0.272 19501
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19501
38 1 7 "Average Difference" HA 14 0.205 -0.090 0.191 19501
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19501
40 1 7 "Average Difference" CA 14 2.037 1.421 1.515 19501
41 1 7 "Average Difference" CB 14 6.413 -2.378 6.181 19501
42 1 7 "Average Difference" HN 12 0.455 -0.239 0.404 19501
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19501
44 1 8 "Average Difference" HA 14 0.201 -0.065 0.197 19501
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19501
46 1 8 "Average Difference" CA 14 1.951 1.178 1.615 19501
47 1 8 "Average Difference" CB 14 6.121 -2.269 5.900 19501
48 1 8 "Average Difference" HN 12 0.330 -0.128 0.318 19501
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19501
50 1 9 "Average Difference" HA 14 0.219 -0.116 0.193 19501
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19501
52 1 9 "Average Difference" CA 14 2.139 1.483 1.600 19501
53 1 9 "Average Difference" CB 14 6.398 -2.419 6.146 19501
54 1 9 "Average Difference" HN 12 0.356 -0.169 0.327 19501
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19501
56 1 10 "Average Difference" HA 14 0.218 -0.111 0.194 19501
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19501
58 1 10 "Average Difference" CA 14 2.161 1.432 1.680 19501
59 1 10 "Average Difference" CB 14 6.506 -2.420 6.267 19501
60 1 10 "Average Difference" HN 12 0.445 -0.193 0.419 19501
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19501
62 1 11 "Average Difference" HA 14 0.211 -0.110 0.187 19501
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19501
64 1 11 "Average Difference" CA 14 2.177 1.446 1.689 19501
65 1 11 "Average Difference" CB 14 6.522 -2.645 6.186 19501
66 1 11 "Average Difference" HN 12 0.385 -0.220 0.329 19501
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19501
68 1 12 "Average Difference" HA 14 0.175 -0.037 0.177 19501
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19501
70 1 12 "Average Difference" CA 14 1.805 0.941 1.598 19501
71 1 12 "Average Difference" CB 14 6.145 -2.425 5.859 19501
72 1 12 "Average Difference" HN 12 0.333 -0.140 0.315 19501
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19501
74 1 13 "Average Difference" HA 14 0.192 -0.053 0.191 19501
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19501
76 1 13 "Average Difference" CA 14 1.901 1.175 1.550 19501
77 1 13 "Average Difference" CB 14 6.542 -2.347 6.337 19501
78 1 13 "Average Difference" HN 12 0.587 -0.176 0.585 19501
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19501
80 1 14 "Average Difference" HA 14 0.179 -0.105 0.150 19501
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19501
82 1 14 "Average Difference" CA 14 1.914 1.298 1.460 19501
83 1 14 "Average Difference" CB 14 6.434 -2.479 6.161 19501
84 1 14 "Average Difference" HN 12 0.448 -0.275 0.369 19501
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19501
86 1 15 "Average Difference" HA 14 0.181 -0.112 0.148 19501
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19501
88 1 15 "Average Difference" CA 14 2.083 1.259 1.723 19501
89 1 15 "Average Difference" CB 14 6.442 -2.398 6.205 19501
90 1 15 "Average Difference" HN 12 0.393 -0.107 0.395 19501
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19501
92 1 16 "Average Difference" HA 14 0.219 -0.108 0.197 19501
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19501
94 1 16 "Average Difference" CA 14 2.142 1.460 1.627 19501
95 1 16 "Average Difference" CB 14 6.527 -2.504 6.255 19501
96 1 16 "Average Difference" HN 12 0.377 -0.162 0.356 19501
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19501
98 1 17 "Average Difference" HA 14 0.211 -0.083 0.202 19501
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19501
100 1 17 "Average Difference" CA 14 2.087 1.122 1.826 19501
101 1 17 "Average Difference" CB 14 6.580 -2.521 6.308 19501
102 1 17 "Average Difference" HN 12 0.371 -0.217 0.314 19501
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19501
104 1 18 "Average Difference" HA 14 0.251 -0.080 0.247 19501
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19501
106 1 18 "Average Difference" CA 14 2.009 1.275 1.611 19501
107 1 18 "Average Difference" CB 14 6.256 -2.328 6.026 19501
108 1 18 "Average Difference" HN 12 0.331 -0.167 0.298 19501
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19501
110 1 19 "Average Difference" HA 14 0.188 -0.060 0.185 19501
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19501
112 1 19 "Average Difference" CA 14 1.879 1.268 1.439 19501
113 1 19 "Average Difference" CB 14 6.565 -2.473 6.311 19501
114 1 19 "Average Difference" HN 12 0.611 -0.223 0.594 19501
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19501
116 1 20 "Average Difference" HA 14 0.213 -0.085 0.203 19501
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19501
118 1 20 "Average Difference" CA 14 2.132 1.251 1.792 19501
119 1 20 "Average Difference" CB 14 6.683 -2.384 6.479 19501
120 1 20 "Average Difference" HN 12 0.562 -0.103 0.577 19501
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 19501
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 CYS HA H 2 4.656 4.656 4.312 0.345 19501
2 1 . 1 1 2 2 CYS CA C 2 57.748 57.748 60.756 -3.008 19501
3 1 . 1 1 2 2 CYS CB C 2 41.793 41.793 26.076 15.717 19501
4 1 . 1 1 2 2 CYS H H 2 8.909 8.909 8.568 0.341 19501
5 1 . 1 1 3 3 CYS HA H 3 4.482 4.482 4.303 0.179 19501
6 1 . 1 1 3 3 CYS CA C 3 55.749 55.749 60.601 -4.852 19501
7 1 . 1 1 3 3 CYS CB C 3 36.486 36.486 26.671 9.814 19501
8 1 . 1 1 3 3 CYS H H 3 8.704 8.704 8.223 0.481 19501
9 1 . 1 1 4 4 SER HA H 4 4.375 4.375 4.401 -0.026 19501
10 1 . 1 1 4 4 SER CA C 4 58.952 58.952 59.675 -0.723 19501
11 1 . 1 1 4 4 SER CB C 4 62.726 62.726 63.024 -0.298 19501
12 1 . 1 1 4 4 SER H H 4 7.916 7.916 7.787 0.129 19501
13 1 . 1 1 5 5 HIS HA H 5 5.222 5.222 4.884 0.338 19501
14 1 . 1 1 5 5 HIS CA C 5 52.322 52.322 53.599 -1.278 19501
15 1 . 1 1 5 5 HIS CB C 5 29.081 29.081 30.647 -1.566 19501
16 1 . 1 1 5 5 HIS H H 5 8.131 8.131 7.575 0.556 19501
17 1 . 1 1 6 6 PRO HA H 6 4.295 4.295 4.168 0.127 19501
18 1 . 1 1 6 6 PRO CA C 6 66.072 66.072 65.641 0.431 19501
19 1 . 1 1 6 6 PRO CB C 6 32.134 32.134 32.035 0.099 19501
20 1 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.234 -0.051 19501
21 1 . 1 1 7 7 ALA CA C 7 54.158 54.158 54.466 -0.308 19501
22 1 . 1 1 7 7 ALA CB C 7 18.250 18.250 18.248 0.002 19501
23 1 . 1 1 7 7 ALA H H 7 8.460 8.460 8.381 0.079 19501
24 1 . 1 1 8 8 CYS HA H 8 4.600 4.600 4.949 -0.349 19501
25 1 . 1 1 8 8 CYS CA C 8 55.872 55.872 59.019 -3.147 19501
26 1 . 1 1 8 8 CYS CB C 8 41.086 41.086 26.174 14.912 19501
27 1 . 1 1 8 8 CYS H H 8 7.571 7.571 8.077 -0.506 19501
28 1 . 1 1 9 9 ASN HA H 9 4.605 4.605 4.603 0.002 19501
29 1 . 1 1 9 9 ASN CA C 9 53.627 53.627 56.320 -2.693 19501
30 1 . 1 1 9 9 ASN CB C 9 39.242 39.242 38.703 0.539 19501
31 1 . 1 1 9 9 ASN H H 9 8.578 8.578 8.088 0.490 19501
32 1 . 1 1 10 10 VAL HA H 10 3.905 3.905 3.851 0.054 19501
33 1 . 1 1 10 10 VAL CA C 10 64.195 64.195 65.323 -1.128 19501
34 1 . 1 1 10 10 VAL CB C 10 31.926 31.926 31.714 0.212 19501
35 1 . 1 1 10 10 VAL H H 10 7.945 7.945 7.769 0.176 19501
36 1 . 1 1 11 11 ASP HA H 11 4.707 4.707 4.537 0.170 19501
37 1 . 1 1 11 11 ASP CA C 11 52.954 52.954 54.336 -1.382 19501
38 1 . 1 1 11 11 ASP CB C 11 38.561 38.561 40.835 -2.274 19501
39 1 . 1 1 11 11 ASP H H 11 7.565 7.565 8.025 -0.460 19501
40 1 . 1 1 12 12 HIS HA H 12 5.195 5.195 5.016 0.179 19501
41 1 . 1 1 12 12 HIS CA C 12 54.239 54.239 54.014 0.225 19501
42 1 . 1 1 12 12 HIS CB C 12 28.650 28.650 29.923 -1.273 19501
43 1 . 1 1 12 12 HIS H H 12 7.908 7.908 7.642 0.266 19501
44 1 . 1 1 13 13 PRO HA H 13 4.513 4.513 4.457 0.056 19501
45 1 . 1 1 13 13 PRO CA C 13 64.665 64.665 64.521 0.144 19501
46 1 . 1 1 13 13 PRO CB C 13 31.442 31.442 31.990 -0.548 19501
47 1 . 1 1 14 14 GLU HA H 14 4.343 4.343 4.241 0.102 19501
48 1 . 1 1 14 14 GLU CA C 14 57.340 57.340 57.641 -0.301 19501
49 1 . 1 1 14 14 GLU CB C 14 27.903 27.903 29.097 -1.194 19501
50 1 . 1 1 14 14 GLU H H 14 9.151 9.151 8.610 0.541 19501
51 1 . 1 1 15 15 ILE HA H 15 4.301 4.301 4.202 0.099 19501
52 1 . 1 1 15 15 ILE CA C 15 61.870 61.870 61.780 0.090 19501
53 1 . 1 1 15 15 ILE CB C 15 39.198 39.198 39.354 -0.156 19501
54 1 . 1 1 15 15 ILE H H 15 7.596 7.596 7.572 0.024 19501
stop_
save_