data_19595
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19595
_Entry.PDB_ID 2MGO
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 19595
_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 TYR HA H 2 4.776 4.776 4.775 0.001 19595
2 1 1 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.881 -1.038 19595
3 1 1 . 1 1 2 2 TYR H H 2 8.991 8.991 8.413 0.578 19595
4 1 1 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.577 0.464 19595
5 1 1 . 1 1 3 3 ILE CA C 3 62.672 62.672 63.927 -1.255 19595
6 1 1 . 1 1 3 3 ILE CB C 3 38.706 38.706 37.657 1.049 19595
7 1 1 . 1 1 3 3 ILE H H 3 7.960 7.960 7.586 0.374 19595
8 1 1 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.399 -0.289 19595
9 1 1 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.564 2.290 19595
10 1 1 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.731 -0.189 19595
11 1 1 . 1 1 4 4 GLN H H 4 8.229 8.229 7.657 0.572 19595
12 1 1 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.805 -0.077 19595
13 1 1 . 1 1 5 5 ASN CA C 5 53.112 53.112 54.236 -1.125 19595
14 1 1 . 1 1 5 5 ASN CB C 5 38.460 38.460 41.083 -2.623 19595
15 1 1 . 1 1 5 5 ASN H H 5 8.339 8.339 8.218 0.121 19595
16 1 1 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.860 0.010 19595
17 1 1 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.571 -1.503 19595
18 1 1 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.017 12.966 19595
19 1 1 . 1 1 6 6 CYS H H 6 8.218 8.218 8.436 -0.218 19595
20 1 1 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.473 -0.030 19595
21 1 1 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.699 -0.375 19595
22 1 1 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.933 0.077 19595
23 1 1 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.474 -0.171 19595
24 1 1 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.833 0.576 19595
25 1 1 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.214 -0.177 19595
26 1 1 . 1 1 8 8 LEU H H 8 8.488 8.488 8.542 -0.054 19595
27 1 2 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.862 -0.086 19595
28 1 2 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.706 0.136 19595
29 1 2 . 1 1 2 2 TYR H H 2 8.991 8.991 8.648 0.343 19595
30 1 2 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.440 -0.399 19595
31 1 2 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.184 3.488 19595
32 1 2 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.519 -1.813 19595
33 1 2 . 1 1 3 3 ILE H H 3 7.960 7.960 7.668 0.292 19595
34 1 2 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.243 -0.133 19595
35 1 2 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.920 0.934 19595
36 1 2 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.546 -0.004 19595
37 1 2 . 1 1 4 4 GLN H H 4 8.229 8.229 8.737 -0.508 19595
38 1 2 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.701 0.027 19595
39 1 2 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.168 -0.056 19595
40 1 2 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.065 0.395 19595
41 1 2 . 1 1 5 5 ASN H H 5 8.339 8.339 8.084 0.255 19595
42 1 2 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.614 0.256 19595
43 1 2 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.985 -2.917 19595
44 1 2 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.931 14.052 19595
45 1 2 . 1 1 6 6 CYS H H 6 8.218 8.218 7.534 0.684 19595
46 1 2 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.499 -0.056 19595
47 1 2 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.903 0.421 19595
48 1 2 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.366 -0.356 19595
49 1 2 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.528 -0.225 19595
50 1 2 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.723 -0.314 19595
51 1 2 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.182 -0.145 19595
52 1 2 . 1 1 8 8 LEU H H 8 8.488 8.488 8.707 -0.220 19595
53 1 3 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.791 -0.015 19595
54 1 3 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.230 0.613 19595
55 1 3 . 1 1 2 2 TYR H H 2 8.991 8.991 8.383 0.608 19595
56 1 3 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.454 -0.413 19595
57 1 3 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.387 3.285 19595
58 1 3 . 1 1 3 3 ILE CB C 3 38.706 38.706 41.099 -2.393 19595
59 1 3 . 1 1 3 3 ILE H H 3 7.960 7.960 7.124 0.836 19595
60 1 3 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.217 -0.107 19595
61 1 3 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.031 0.823 19595
62 1 3 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.145 -0.603 19595
63 1 3 . 1 1 4 4 GLN H H 4 8.229 8.229 8.401 -0.172 19595
64 1 3 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.764 -0.036 19595
65 1 3 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.552 0.560 19595
66 1 3 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.106 -0.646 19595
67 1 3 . 1 1 5 5 ASN H H 5 8.339 8.339 7.819 0.520 19595
68 1 3 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.669 0.201 19595
69 1 3 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.880 -1.812 19595
70 1 3 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.122 13.861 19595
71 1 3 . 1 1 6 6 CYS H H 6 8.218 8.218 8.205 0.013 19595
72 1 3 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.479 -0.036 19595
73 1 3 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.492 -0.168 19595
74 1 3 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.115 -0.105 19595
75 1 3 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.570 -0.267 19595
76 1 3 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.688 0.721 19595
77 1 3 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.533 -0.496 19595
78 1 3 . 1 1 8 8 LEU H H 8 8.488 8.488 8.293 0.195 19595
79 1 4 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.703 0.073 19595
80 1 4 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.145 -0.302 19595
81 1 4 . 1 1 2 2 TYR H H 2 8.991 8.991 8.424 0.567 19595
82 1 4 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.014 0.027 19595
83 1 4 . 1 1 3 3 ILE CA C 3 62.672 62.672 62.920 -0.249 19595
84 1 4 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.413 0.293 19595
85 1 4 . 1 1 3 3 ILE H H 3 7.960 7.960 8.379 -0.419 19595
86 1 4 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.566 -0.456 19595
87 1 4 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.387 2.467 19595
88 1 4 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.609 -1.067 19595
89 1 4 . 1 1 4 4 GLN H H 4 8.229 8.229 8.137 0.092 19595
90 1 4 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.886 -0.158 19595
91 1 4 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.343 -0.230 19595
92 1 4 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.871 -1.411 19595
93 1 4 . 1 1 5 5 ASN H H 5 8.339 8.339 8.221 0.118 19595
94 1 4 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.969 -0.099 19595
95 1 4 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.142 -2.074 19595
96 1 4 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.052 12.931 19595
97 1 4 . 1 1 6 6 CYS H H 6 8.218 8.218 8.468 -0.250 19595
98 1 4 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.465 -0.022 19595
99 1 4 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.315 0.009 19595
100 1 4 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.385 -0.375 19595
101 1 4 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.576 -0.273 19595
102 1 4 . 1 1 8 8 LEU CA C 8 55.409 55.409 56.454 -1.045 19595
103 1 4 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.075 -0.039 19595
104 1 4 . 1 1 8 8 LEU H H 8 8.488 8.488 8.709 -0.221 19595
105 1 5 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.839 -0.063 19595
106 1 5 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.480 0.363 19595
107 1 5 . 1 1 2 2 TYR H H 2 8.991 8.991 7.737 1.254 19595
108 1 5 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.492 -0.451 19595
109 1 5 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.172 2.501 19595
110 1 5 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.740 -1.034 19595
111 1 5 . 1 1 3 3 ILE H H 3 7.960 7.960 7.276 0.684 19595
112 1 5 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.343 -0.233 19595
113 1 5 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.748 1.106 19595
114 1 5 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.495 0.047 19595
115 1 5 . 1 1 4 4 GLN H H 4 8.229 8.229 8.836 -0.607 19595
116 1 5 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.747 -0.019 19595
117 1 5 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.757 0.355 19595
118 1 5 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.320 -0.860 19595
119 1 5 . 1 1 5 5 ASN H H 5 8.339 8.339 8.135 0.204 19595
120 1 5 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.698 0.172 19595
121 1 5 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.823 -2.755 19595
122 1 5 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.093 12.890 19595
123 1 5 . 1 1 6 6 CYS H H 6 8.218 8.218 7.696 0.522 19595
124 1 5 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.445 -0.002 19595
125 1 5 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.802 -0.478 19595
126 1 5 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.479 0.531 19595
127 1 5 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.494 -0.191 19595
128 1 5 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.629 0.780 19595
129 1 5 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.356 -0.319 19595
130 1 5 . 1 1 8 8 LEU H H 8 8.488 8.488 8.493 -0.005 19595
131 1 6 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.904 -0.128 19595
132 1 6 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.202 0.641 19595
133 1 6 . 1 1 2 2 TYR H H 2 8.991 8.991 8.636 0.355 19595
134 1 6 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.314 -0.273 19595
135 1 6 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.378 3.294 19595
136 1 6 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.736 -2.030 19595
137 1 6 . 1 1 3 3 ILE H H 3 7.960 7.960 7.763 0.197 19595
138 1 6 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.294 -0.184 19595
139 1 6 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.884 0.970 19595
140 1 6 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.160 -0.619 19595
141 1 6 . 1 1 4 4 GLN H H 4 8.229 8.229 8.599 -0.370 19595
142 1 6 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.792 -0.064 19595
143 1 6 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.714 0.398 19595
144 1 6 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.518 -0.058 19595
145 1 6 . 1 1 5 5 ASN H H 5 8.339 8.339 8.177 0.162 19595
146 1 6 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.658 0.212 19595
147 1 6 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.548 -3.480 19595
148 1 6 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.278 12.705 19595
149 1 6 . 1 1 6 6 CYS H H 6 8.218 8.218 7.782 0.436 19595
150 1 6 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.403 0.040 19595
151 1 6 . 1 1 7 7 PRO CA C 7 63.324 63.324 64.003 -0.679 19595
152 1 6 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.636 0.374 19595
153 1 6 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.661 -0.358 19595
154 1 6 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.596 0.813 19595
155 1 6 . 1 1 8 8 LEU CB C 8 42.037 42.037 43.121 -1.085 19595
156 1 6 . 1 1 8 8 LEU H H 8 8.488 8.488 8.447 0.041 19595
157 1 7 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.793 -0.017 19595
158 1 7 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.681 0.162 19595
159 1 7 . 1 1 2 2 TYR H H 2 8.991 8.991 8.371 0.620 19595
160 1 7 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.290 -0.249 19595
161 1 7 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.118 3.554 19595
162 1 7 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.532 -0.826 19595
163 1 7 . 1 1 3 3 ILE H H 3 7.960 7.960 7.284 0.676 19595
164 1 7 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.407 -0.297 19595
165 1 7 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.899 1.955 19595
166 1 7 . 1 1 4 4 GLN CB C 4 28.542 28.542 27.751 0.791 19595
167 1 7 . 1 1 4 4 GLN H H 4 8.229 8.229 8.494 -0.265 19595
168 1 7 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.785 -0.057 19595
169 1 7 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.261 -0.149 19595
170 1 7 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.316 -0.856 19595
171 1 7 . 1 1 5 5 ASN H H 5 8.339 8.339 7.798 0.541 19595
172 1 7 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.790 0.080 19595
173 1 7 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.990 -2.922 19595
174 1 7 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.951 12.032 19595
175 1 7 . 1 1 6 6 CYS H H 6 8.218 8.218 7.750 0.468 19595
176 1 7 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.764 -0.321 19595
177 1 7 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.570 0.754 19595
178 1 7 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.674 -0.664 19595
179 1 7 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.548 -0.245 19595
180 1 7 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.147 0.262 19595
181 1 7 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.868 0.168 19595
182 1 7 . 1 1 8 8 LEU H H 8 8.488 8.488 8.318 0.170 19595
183 1 8 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.740 0.036 19595
184 1 8 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.326 -0.483 19595
185 1 8 . 1 1 2 2 TYR H H 2 8.991 8.991 8.268 0.723 19595
186 1 8 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.788 0.253 19595
187 1 8 . 1 1 3 3 ILE CA C 3 62.672 62.672 64.611 -1.939 19595
188 1 8 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.203 0.503 19595
189 1 8 . 1 1 3 3 ILE H H 3 7.960 7.960 8.848 -0.888 19595
190 1 8 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.381 -0.271 19595
191 1 8 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.554 1.300 19595
192 1 8 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.430 0.112 19595
193 1 8 . 1 1 4 4 GLN H H 4 8.229 8.229 8.423 -0.194 19595
194 1 8 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.928 -0.200 19595
195 1 8 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.178 -0.066 19595
196 1 8 . 1 1 5 5 ASN CB C 5 38.460 38.460 40.712 -2.252 19595
197 1 8 . 1 1 5 5 ASN H H 5 8.339 8.339 8.291 0.048 19595
198 1 8 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.751 0.119 19595
199 1 8 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.070 -3.002 19595
200 1 8 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.423 14.560 19595
201 1 8 . 1 1 6 6 CYS H H 6 8.218 8.218 8.085 0.133 19595
202 1 8 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.525 -0.082 19595
203 1 8 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.929 0.395 19595
204 1 8 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.351 -0.341 19595
205 1 8 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.543 -0.240 19595
206 1 8 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.073 0.336 19595
207 1 8 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.028 0.009 19595
208 1 8 . 1 1 8 8 LEU H H 8 8.488 8.488 8.524 -0.036 19595
209 1 9 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.861 -0.085 19595
210 1 9 . 1 1 2 2 TYR CB C 2 38.843 38.843 40.162 -1.319 19595
211 1 9 . 1 1 2 2 TYR H H 2 8.991 8.991 8.548 0.443 19595
212 1 9 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.761 0.280 19595
213 1 9 . 1 1 3 3 ILE CA C 3 62.672 62.672 64.055 -1.383 19595
214 1 9 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.022 0.685 19595
215 1 9 . 1 1 3 3 ILE H H 3 7.960 7.960 8.994 -1.034 19595
216 1 9 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.239 -0.129 19595
217 1 9 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.351 0.503 19595
218 1 9 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.058 0.484 19595
219 1 9 . 1 1 4 4 GLN H H 4 8.229 8.229 8.685 -0.456 19595
220 1 9 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.912 -0.184 19595
221 1 9 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.349 -0.237 19595
222 1 9 . 1 1 5 5 ASN CB C 5 38.460 38.460 41.511 -3.051 19595
223 1 9 . 1 1 5 5 ASN H H 5 8.339 8.339 8.204 0.135 19595
224 1 9 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.827 0.043 19595
225 1 9 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.072 -3.004 19595
226 1 9 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.405 14.578 19595
227 1 9 . 1 1 6 6 CYS H H 6 8.218 8.218 7.519 0.699 19595
228 1 9 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.504 -0.061 19595
229 1 9 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.236 0.088 19595
230 1 9 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.877 0.133 19595
231 1 9 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.591 -0.288 19595
232 1 9 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.687 0.722 19595
233 1 9 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.536 -0.499 19595
234 1 9 . 1 1 8 8 LEU H H 8 8.488 8.488 8.651 -0.163 19595
235 1 10 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.937 -0.161 19595
236 1 10 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.184 -0.341 19595
237 1 10 . 1 1 2 2 TYR H H 2 8.991 8.991 8.729 0.262 19595
238 1 10 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.464 -0.423 19595
239 1 10 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.792 2.880 19595
240 1 10 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.520 -0.814 19595
241 1 10 . 1 1 3 3 ILE H H 3 7.960 7.960 7.658 0.302 19595
242 1 10 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.223 -0.113 19595
243 1 10 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.332 1.522 19595
244 1 10 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.218 -0.676 19595
245 1 10 . 1 1 4 4 GLN H H 4 8.229 8.229 8.289 -0.060 19595
246 1 10 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.800 -0.072 19595
247 1 10 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.779 0.333 19595
248 1 10 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.243 -0.783 19595
249 1 10 . 1 1 5 5 ASN H H 5 8.339 8.339 7.940 0.399 19595
250 1 10 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.695 0.175 19595
251 1 10 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.775 -2.707 19595
252 1 10 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.592 14.391 19595
253 1 10 . 1 1 6 6 CYS H H 6 8.218 8.218 8.453 -0.235 19595
254 1 10 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.421 0.022 19595
255 1 10 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.191 0.133 19595
256 1 10 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.116 -0.106 19595
257 1 10 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.558 -0.255 19595
258 1 10 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.709 0.700 19595
259 1 10 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.352 -0.315 19595
260 1 10 . 1 1 8 8 LEU H H 8 8.488 8.488 8.491 -0.003 19595
261 1 11 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.727 0.049 19595
262 1 11 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.422 0.421 19595
263 1 11 . 1 1 2 2 TYR H H 2 8.991 8.991 8.476 0.515 19595
264 1 11 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.445 -0.404 19595
265 1 11 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.035 3.637 19595
266 1 11 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.569 -1.863 19595
267 1 11 . 1 1 3 3 ILE H H 3 7.960 7.960 7.051 0.909 19595
268 1 11 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.350 -0.240 19595
269 1 11 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.546 2.308 19595
270 1 11 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.776 -1.234 19595
271 1 11 . 1 1 4 4 GLN H H 4 8.229 8.229 8.326 -0.097 19595
272 1 11 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.761 -0.033 19595
273 1 11 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.418 0.694 19595
274 1 11 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.126 -0.666 19595
275 1 11 . 1 1 5 5 ASN H H 5 8.339 8.339 8.120 0.219 19595
276 1 11 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.459 0.411 19595
277 1 11 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.939 -2.871 19595
278 1 11 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.363 14.620 19595
279 1 11 . 1 1 6 6 CYS H H 6 8.218 8.218 8.122 0.096 19595
280 1 11 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.444 -0.001 19595
281 1 11 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.872 0.452 19595
282 1 11 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.125 -0.115 19595
283 1 11 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.280 0.023 19595
284 1 11 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.661 0.748 19595
285 1 11 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.886 0.151 19595
286 1 11 . 1 1 8 8 LEU H H 8 8.488 8.488 8.484 0.004 19595
287 1 12 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.785 -0.009 19595
288 1 12 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.518 -0.675 19595
289 1 12 . 1 1 2 2 TYR H H 2 8.991 8.991 8.512 0.479 19595
290 1 12 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.408 0.633 19595
291 1 12 . 1 1 3 3 ILE CA C 3 62.672 62.672 64.580 -1.908 19595
292 1 12 . 1 1 3 3 ILE CB C 3 38.706 38.706 37.371 1.335 19595
293 1 12 . 1 1 3 3 ILE H H 3 7.960 7.960 8.148 -0.188 19595
294 1 12 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.152 -0.042 19595
295 1 12 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.222 0.632 19595
296 1 12 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.900 -0.358 19595
297 1 12 . 1 1 4 4 GLN H H 4 8.229 8.229 7.872 0.357 19595
298 1 12 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.930 -0.202 19595
299 1 12 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.163 -0.051 19595
300 1 12 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.728 -1.268 19595
301 1 12 . 1 1 5 5 ASN H H 5 8.339 8.339 8.140 0.199 19595
302 1 12 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.822 0.048 19595
303 1 12 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.794 -2.726 19595
304 1 12 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.783 12.200 19595
305 1 12 . 1 1 6 6 CYS H H 6 8.218 8.218 7.402 0.816 19595
306 1 12 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.331 0.112 19595
307 1 12 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.189 0.135 19595
308 1 12 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.264 0.746 19595
309 1 12 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.560 -0.257 19595
310 1 12 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.206 0.203 19595
311 1 12 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.629 -0.592 19595
312 1 12 . 1 1 8 8 LEU H H 8 8.488 8.488 8.222 0.266 19595
313 1 13 . 1 1 2 2 TYR HA H 2 4.776 4.776 5.153 -0.377 19595
314 1 13 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.342 0.501 19595
315 1 13 . 1 1 2 2 TYR H H 2 8.991 8.991 8.148 0.843 19595
316 1 13 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.367 -0.326 19595
317 1 13 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.938 2.734 19595
318 1 13 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.740 -1.034 19595
319 1 13 . 1 1 3 3 ILE H H 3 7.960 7.960 7.175 0.785 19595
320 1 13 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.400 -0.290 19595
321 1 13 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.049 1.805 19595
322 1 13 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.436 -0.894 19595
323 1 13 . 1 1 4 4 GLN H H 4 8.229 8.229 8.488 -0.259 19595
324 1 13 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.768 -0.040 19595
325 1 13 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.564 0.548 19595
326 1 13 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.636 -0.176 19595
327 1 13 . 1 1 5 5 ASN H H 5 8.339 8.339 8.213 0.126 19595
328 1 13 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.736 0.134 19595
329 1 13 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.452 -2.384 19595
330 1 13 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.920 13.063 19595
331 1 13 . 1 1 6 6 CYS H H 6 8.218 8.218 8.068 0.150 19595
332 1 13 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.412 0.031 19595
333 1 13 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.990 -0.666 19595
334 1 13 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.647 0.363 19595
335 1 13 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.540 -0.237 19595
336 1 13 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.611 0.798 19595
337 1 13 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.390 -0.353 19595
338 1 13 . 1 1 8 8 LEU H H 8 8.488 8.488 8.504 -0.016 19595
339 1 14 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.669 0.107 19595
340 1 14 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.550 0.293 19595
341 1 14 . 1 1 2 2 TYR H H 2 8.991 8.991 8.524 0.467 19595
342 1 14 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.286 -0.245 19595
343 1 14 . 1 1 3 3 ILE CA C 3 62.672 62.672 58.695 3.977 19595
344 1 14 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.432 -0.726 19595
345 1 14 . 1 1 3 3 ILE H H 3 7.960 7.960 7.128 0.832 19595
346 1 14 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.178 -0.068 19595
347 1 14 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.958 0.896 19595
348 1 14 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.470 0.072 19595
349 1 14 . 1 1 4 4 GLN H H 4 8.229 8.229 8.559 -0.330 19595
350 1 14 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.720 0.008 19595
351 1 14 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.108 0.004 19595
352 1 14 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.163 0.296 19595
353 1 14 . 1 1 5 5 ASN H H 5 8.339 8.339 8.067 0.272 19595
354 1 14 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.827 0.043 19595
355 1 14 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.481 -1.413 19595
356 1 14 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.328 13.655 19595
357 1 14 . 1 1 6 6 CYS H H 6 8.218 8.218 7.482 0.736 19595
358 1 14 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.489 -0.046 19595
359 1 14 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.305 0.019 19595
360 1 14 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.797 0.213 19595
361 1 14 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.499 -0.196 19595
362 1 14 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.675 0.734 19595
363 1 14 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.405 -0.368 19595
364 1 14 . 1 1 8 8 LEU H H 8 8.488 8.488 8.664 -0.176 19595
365 1 15 . 1 1 2 2 TYR HA H 2 4.776 4.776 5.047 -0.271 19595
366 1 15 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.274 0.569 19595
367 1 15 . 1 1 2 2 TYR H H 2 8.991 8.991 8.374 0.617 19595
368 1 15 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.423 -0.382 19595
369 1 15 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.207 2.465 19595
370 1 15 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.557 -0.851 19595
371 1 15 . 1 1 3 3 ILE H H 3 7.960 7.960 7.394 0.566 19595
372 1 15 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.324 -0.214 19595
373 1 15 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.483 1.371 19595
374 1 15 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.069 -0.527 19595
375 1 15 . 1 1 4 4 GLN H H 4 8.229 8.229 8.529 -0.300 19595
376 1 15 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.754 -0.026 19595
377 1 15 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.277 -0.165 19595
378 1 15 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.316 -0.856 19595
379 1 15 . 1 1 5 5 ASN H H 5 8.339 8.339 8.025 0.314 19595
380 1 15 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.941 -0.071 19595
381 1 15 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.916 -1.848 19595
382 1 15 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.497 12.486 19595
383 1 15 . 1 1 6 6 CYS H H 6 8.218 8.218 8.478 -0.260 19595
384 1 15 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.724 -0.281 19595
385 1 15 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.876 0.448 19595
386 1 15 . 1 1 7 7 PRO CB C 7 32.010 32.010 30.900 1.110 19595
387 1 15 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.428 -0.125 19595
388 1 15 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.999 0.410 19595
389 1 15 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.428 -0.391 19595
390 1 15 . 1 1 8 8 LEU H H 8 8.488 8.488 8.375 0.113 19595
391 1 16 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.758 0.018 19595
392 1 16 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.265 -0.422 19595
393 1 16 . 1 1 2 2 TYR H H 2 8.991 8.991 8.292 0.699 19595
394 1 16 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.051 -0.010 19595
395 1 16 . 1 1 3 3 ILE CA C 3 62.672 62.672 62.787 -0.115 19595
396 1 16 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.441 0.265 19595
397 1 16 . 1 1 3 3 ILE H H 3 7.960 7.960 8.278 -0.318 19595
398 1 16 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.202 -0.092 19595
399 1 16 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.839 0.015 19595
400 1 16 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.555 -0.013 19595
401 1 16 . 1 1 4 4 GLN H H 4 8.229 8.229 8.522 -0.293 19595
402 1 16 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.849 -0.121 19595
403 1 16 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.772 0.340 19595
404 1 16 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.054 0.406 19595
405 1 16 . 1 1 5 5 ASN H H 5 8.339 8.339 8.535 -0.196 19595
406 1 16 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.868 0.002 19595
407 1 16 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.073 -2.005 19595
408 1 16 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.373 12.610 19595
409 1 16 . 1 1 6 6 CYS H H 6 8.218 8.218 7.547 0.671 19595
410 1 16 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.680 -0.237 19595
411 1 16 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.663 0.662 19595
412 1 16 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.782 -0.772 19595
413 1 16 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.543 -0.240 19595
414 1 16 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.906 0.504 19595
415 1 16 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.861 0.176 19595
416 1 16 . 1 1 8 8 LEU H H 8 8.488 8.488 8.358 0.130 19595
417 1 17 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.691 0.085 19595
418 1 17 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.215 -0.372 19595
419 1 17 . 1 1 2 2 TYR H H 2 8.991 8.991 8.627 0.364 19595
420 1 17 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.503 -0.462 19595
421 1 17 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.069 2.603 19595
422 1 17 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.031 -1.325 19595
423 1 17 . 1 1 3 3 ILE H H 3 7.960 7.960 7.437 0.523 19595
424 1 17 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.181 -0.071 19595
425 1 17 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.059 0.796 19595
426 1 17 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.853 -0.311 19595
427 1 17 . 1 1 4 4 GLN H H 4 8.229 8.229 8.706 -0.477 19595
428 1 17 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.742 -0.014 19595
429 1 17 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.106 0.006 19595
430 1 17 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.198 0.262 19595
431 1 17 . 1 1 5 5 ASN H H 5 8.339 8.339 8.069 0.270 19595
432 1 17 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.702 0.168 19595
433 1 17 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.123 -2.055 19595
434 1 17 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.271 13.712 19595
435 1 17 . 1 1 6 6 CYS H H 6 8.218 8.218 7.586 0.632 19595
436 1 17 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.493 -0.050 19595
437 1 17 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.652 0.672 19595
438 1 17 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.209 -0.199 19595
439 1 17 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.480 -0.177 19595
440 1 17 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.748 0.661 19595
441 1 17 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.462 0.575 19595
442 1 17 . 1 1 8 8 LEU H H 8 8.488 8.488 8.396 0.092 19595
443 1 18 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.808 -0.032 19595
444 1 18 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.487 0.356 19595
445 1 18 . 1 1 2 2 TYR H H 2 8.991 8.991 7.936 1.055 19595
446 1 18 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.497 -0.456 19595
447 1 18 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.120 3.551 19595
448 1 18 . 1 1 3 3 ILE CB C 3 38.706 38.706 41.429 -2.723 19595
449 1 18 . 1 1 3 3 ILE H H 3 7.960 7.960 7.267 0.693 19595
450 1 18 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.249 -0.139 19595
451 1 18 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.291 0.563 19595
452 1 18 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.969 -0.427 19595
453 1 18 . 1 1 4 4 GLN H H 4 8.229 8.229 8.549 -0.320 19595
454 1 18 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.735 -0.007 19595
455 1 18 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.616 0.496 19595
456 1 18 . 1 1 5 5 ASN CB C 5 38.460 38.460 37.786 0.674 19595
457 1 18 . 1 1 5 5 ASN H H 5 8.339 8.339 8.217 0.122 19595
458 1 18 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.393 0.477 19595
459 1 18 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.840 -2.772 19595
460 1 18 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.719 13.264 19595
461 1 18 . 1 1 6 6 CYS H H 6 8.218 8.218 7.740 0.478 19595
462 1 18 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.442 0.001 19595
463 1 18 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.459 -0.135 19595
464 1 18 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.272 0.738 19595
465 1 18 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.469 -0.166 19595
466 1 18 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.718 0.692 19595
467 1 18 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.425 -0.388 19595
468 1 18 . 1 1 8 8 LEU H H 8 8.488 8.488 8.519 -0.031 19595
469 1 19 . 1 1 2 2 TYR HA H 2 4.776 4.776 5.060 -0.284 19595
470 1 19 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.091 0.752 19595
471 1 19 . 1 1 2 2 TYR H H 2 8.991 8.991 8.882 0.109 19595
472 1 19 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.382 -0.341 19595
473 1 19 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.944 2.728 19595
474 1 19 . 1 1 3 3 ILE CB C 3 38.706 38.706 41.151 -2.445 19595
475 1 19 . 1 1 3 3 ILE H H 3 7.960 7.960 7.689 0.271 19595
476 1 19 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.414 -0.304 19595
477 1 19 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.363 1.491 19595
478 1 19 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.420 -0.878 19595
479 1 19 . 1 1 4 4 GLN H H 4 8.229 8.229 8.523 -0.294 19595
480 1 19 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.832 -0.104 19595
481 1 19 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.861 0.251 19595
482 1 19 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.727 -0.267 19595
483 1 19 . 1 1 5 5 ASN H H 5 8.339 8.339 8.118 0.221 19595
484 1 19 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.529 0.341 19595
485 1 19 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.132 -3.064 19595
486 1 19 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.950 14.033 19595
487 1 19 . 1 1 6 6 CYS H H 6 8.218 8.218 8.032 0.186 19595
488 1 19 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.296 0.147 19595
489 1 19 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.486 -0.162 19595
490 1 19 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.572 0.438 19595
491 1 19 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.627 -0.324 19595
492 1 19 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.841 0.568 19595
493 1 19 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.816 -0.779 19595
494 1 19 . 1 1 8 8 LEU H H 8 8.488 8.488 8.442 0.046 19595
495 1 20 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.527 0.249 19595
496 1 20 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.775 0.068 19595
497 1 20 . 1 1 2 2 TYR H H 2 8.991 8.991 8.567 0.424 19595
498 1 20 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.315 -0.274 19595
499 1 20 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.865 2.807 19595
500 1 20 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.207 -1.501 19595
501 1 20 . 1 1 3 3 ILE H H 3 7.960 7.960 7.479 0.481 19595
502 1 20 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.163 -0.053 19595
503 1 20 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.947 0.907 19595
504 1 20 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.402 0.140 19595
505 1 20 . 1 1 4 4 GLN H H 4 8.229 8.229 8.602 -0.373 19595
506 1 20 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.748 -0.020 19595
507 1 20 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.522 0.590 19595
508 1 20 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.659 -0.199 19595
509 1 20 . 1 1 5 5 ASN H H 5 8.339 8.339 8.087 0.252 19595
510 1 20 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.898 -0.028 19595
511 1 20 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.951 -1.883 19595
512 1 20 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.192 12.791 19595
513 1 20 . 1 1 6 6 CYS H H 6 8.218 8.218 7.598 0.620 19595
514 1 20 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.541 -0.098 19595
515 1 20 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.222 0.102 19595
516 1 20 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.136 0.874 19595
517 1 20 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.518 -0.215 19595
518 1 20 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.533 0.876 19595
519 1 20 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.258 -0.221 19595
520 1 20 . 1 1 8 8 LEU H H 8 8.488 8.488 8.464 0.024 19595
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 19595
2 1 1 "Average Difference" HA 7 0.219 0.013 0.236 19595
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19595
4 1 1 "Average Difference" CA 6 1.343 0.232 1.449 19595
5 1 1 "Average Difference" CB 7 5.032 -1.438 5.209 19595
6 1 1 "Average Difference" HN 6 0.380 -0.229 0.332 19595
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19595
8 1 2 "Average Difference" HA 7 0.209 0.088 0.204 19595
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19595
10 1 2 "Average Difference" CA 6 1.907 -0.259 2.070 19595
11 1 2 "Average Difference" CB 7 5.359 -1.752 5.471 19595
12 1 2 "Average Difference" HN 6 0.417 -0.141 0.430 19595
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19595
14 1 3 "Average Difference" HA 7 0.206 0.096 0.197 19595
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19595
16 1 3 "Average Difference" CA 6 1.613 -0.568 1.654 19595
17 1 3 "Average Difference" CB 7 5.335 -1.461 5.542 19595
18 1 3 "Average Difference" HN 6 0.484 -0.333 0.385 19595
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19595
20 1 4 "Average Difference" HA 7 0.215 0.130 0.185 19595
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19595
22 1 4 "Average Difference" CA 6 1.390 0.187 1.509 19595
23 1 4 "Average Difference" CB 7 4.938 -1.433 5.104 19595
24 1 4 "Average Difference" HN 6 0.324 0.019 0.354 19595
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19595
26 1 5 "Average Difference" HA 7 0.217 0.113 0.200 19595
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19595
28 1 5 "Average Difference" CA 6 1.634 -0.252 1.769 19595
29 1 5 "Average Difference" CB 7 4.906 -1.660 4.987 19595
30 1 5 "Average Difference" HN 6 0.674 -0.342 0.636 19595
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19595
32 1 6 "Average Difference" HA 7 0.208 0.108 0.192 19595
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19595
34 1 6 "Average Difference" CA 6 2.049 -0.219 2.231 19595
35 1 6 "Average Difference" CB 7 4.894 -1.418 5.059 19595
36 1 6 "Average Difference" HN 6 0.294 -0.137 0.286 19595
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19595
38 1 7 "Average Difference" HA 7 0.215 0.158 0.157 19595
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19595
40 1 7 "Average Difference" CA 6 2.067 -0.576 2.175 19595
41 1 7 "Average Difference" CB 7 4.587 -1.544 4.666 19595
42 1 7 "Average Difference" HN 6 0.492 -0.368 0.357 19595
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19595
44 1 8 "Average Difference" HA 7 0.192 0.055 0.198 19595
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19595
46 1 8 "Average Difference" CA 6 1.567 0.496 1.628 19595
47 1 8 "Average Difference" CB 7 5.577 -1.730 5.726 19595
48 1 8 "Average Difference" HN 6 0.478 0.036 0.522 19595
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19595
50 1 9 "Average Difference" HA 7 0.179 0.061 0.182 19595
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19595
52 1 9 "Average Difference" CA 6 1.401 0.552 1.410 19595
53 1 9 "Average Difference" CB 7 5.664 -1.573 5.877 19595
54 1 9 "Average Difference" HN 6 0.578 0.063 0.630 19595
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19595
56 1 10 "Average Difference" HA 7 0.213 0.118 0.192 19595
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19595
58 1 10 "Average Difference" CA 6 1.759 -0.477 1.854 19595
59 1 10 "Average Difference" CB 7 5.465 -1.622 5.637 19595
60 1 10 "Average Difference" HN 6 0.251 -0.111 0.247 19595
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19595
62 1 11 "Average Difference" HA 7 0.237 0.028 0.255 19595
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19595
64 1 11 "Average Difference" CA 6 2.162 -0.828 2.188 19595
65 1 11 "Average Difference" CB 7 5.598 -1.616 5.789 19595
66 1 11 "Average Difference" HN 6 0.439 -0.274 0.376 19595
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19595
68 1 12 "Average Difference" HA 7 0.274 -0.041 0.292 19595
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19595
70 1 12 "Average Difference" CA 6 1.386 0.619 1.359 19595
71 1 12 "Average Difference" CB 7 4.686 -1.627 4.747 19595
72 1 12 "Average Difference" HN 6 0.441 -0.321 0.331 19595
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19595
74 1 13 "Average Difference" HA 7 0.242 0.158 0.198 19595
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19595
76 1 13 "Average Difference" CA 6 1.722 -0.472 1.814 19595
77 1 13 "Average Difference" CB 7 4.972 -1.639 5.070 19595
78 1 13 "Average Difference" HN 6 0.489 -0.272 0.445 19595
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19595
80 1 14 "Average Difference" HA 7 0.130 0.057 0.126 19595
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19595
82 1 14 "Average Difference" CA 6 1.787 -0.703 1.800 19595
83 1 14 "Average Difference" CB 7 5.174 -1.919 5.189 19595
84 1 14 "Average Difference" HN 6 0.527 -0.300 0.474 19595
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19595
86 1 15 "Average Difference" HA 7 0.229 0.196 0.128 19595
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19595
88 1 15 "Average Difference" CA 6 1.400 -0.447 1.454 19595
89 1 15 "Average Difference" CB 7 4.771 -1.649 4.836 19595
90 1 15 "Average Difference" HN 6 0.402 -0.175 0.397 19595
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19595
92 1 16 "Average Difference" HA 7 0.140 0.097 0.109 19595
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19595
94 1 16 "Average Difference" CA 6 0.898 0.100 0.978 19595
95 1 16 "Average Difference" CB 7 4.782 -1.750 4.807 19595
96 1 16 "Average Difference" HN 6 0.444 -0.115 0.469 19595
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19595
98 1 17 "Average Difference" HA 7 0.203 0.074 0.204 19595
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19595
100 1 17 "Average Difference" CA 6 1.445 -0.447 1.505 19595
101 1 17 "Average Difference" CB 7 5.216 -1.763 5.302 19595
102 1 17 "Average Difference" HN 6 0.431 -0.234 0.397 19595
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19595
104 1 18 "Average Difference" HA 7 0.263 0.046 0.279 19595
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19595
106 1 18 "Average Difference" CA 6 1.887 -0.399 2.020 19595
107 1 18 "Average Difference" CB 7 5.138 -1.642 5.259 19595
108 1 18 "Average Difference" HN 6 0.569 -0.333 0.505 19595
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19595
110 1 19 "Average Difference" HA 7 0.279 0.124 0.269 19595
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19595
112 1 19 "Average Difference" CA 6 1.801 -0.302 1.945 19595
113 1 19 "Average Difference" CB 7 5.413 -1.551 5.602 19595
114 1 19 "Average Difference" HN 6 0.207 -0.090 0.204 19595
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19595
116 1 20 "Average Difference" HA 7 0.168 0.063 0.168 19595
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19595
118 1 20 "Average Difference" CA 6 1.493 -0.566 1.513 19595
119 1 20 "Average Difference" CB 7 4.880 -1.707 4.938 19595
120 1 20 "Average Difference" HN 6 0.408 -0.238 0.363 19595
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 19595
_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 TYR HA H 2 4.776 4.776 4.821 -0.045 19595
2 1 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.847 -0.004 19595
3 1 . 1 1 2 2 TYR H H 2 8.991 8.991 8.425 0.566 19595
4 1 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.214 -0.173 19595
5 1 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.839 1.833 19595
6 1 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.568 -0.862 19595
7 1 . 1 1 3 3 ILE H H 3 7.960 7.960 7.681 0.279 19595
8 1 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.296 -0.186 19595
9 1 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.621 1.233 19595
10 1 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.850 -0.308 19595
11 1 . 1 1 4 4 GLN H H 4 8.229 8.229 8.447 -0.218 19595
12 1 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.798 -0.070 19595
13 1 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.987 0.125 19595
14 1 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.157 -0.697 19595
15 1 . 1 1 5 5 ASN H H 5 8.339 8.339 8.124 0.215 19595
16 1 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.735 0.135 19595
17 1 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.528 -2.460 19595
18 1 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.613 13.370 19595
19 1 . 1 1 6 6 CYS H H 6 8.218 8.218 7.899 0.319 19595
20 1 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.492 -0.049 19595
21 1 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.243 0.081 19595
22 1 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.882 0.128 19595
23 1 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.524 -0.221 19595
24 1 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.922 0.487 19595
25 1 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.291 -0.254 19595
26 1 . 1 1 8 8 LEU H H 8 8.488 8.488 8.480 0.008 19595
stop_
save_