data_25505
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25505
_Entry.PDB_ID 2MZX
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 25505
_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 1 187 187 TYR N N 187 120.720 120.720 116.891 3.829 25505
2 1 1 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.665 -0.325 25505
3 1 1 . 1 1 187 187 TYR C C 187 176.218 176.218 176.059 0.159 25505
4 1 1 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.018 0.952 25505
5 1 1 . 1 1 187 187 TYR CB C 187 38.401 38.401 38.057 0.344 25505
6 1 1 . 1 1 187 187 TYR H H 187 8.100 8.100 7.392 0.708 25505
7 1 1 . 1 1 188 188 GLN N N 188 120.417 120.417 122.084 -1.667 25505
8 1 1 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.972 -0.062 25505
9 1 1 . 1 1 188 188 GLN C C 188 176.288 176.288 176.916 -0.628 25505
10 1 1 . 1 1 188 188 GLN CA C 188 56.782 56.782 58.414 -1.632 25505
11 1 1 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.651 1.956 25505
12 1 1 . 1 1 188 188 GLN H H 188 8.170 8.170 8.064 0.106 25505
13 1 1 . 1 1 189 189 PHE N N 189 120.153 120.153 116.910 3.243 25505
14 1 1 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.412 -0.032 25505
15 1 1 . 1 1 189 189 PHE C C 189 176.196 176.196 177.113 -0.917 25505
16 1 1 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.667 0.336 25505
17 1 1 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.776 1.334 25505
18 1 1 . 1 1 189 189 PHE H H 189 7.960 7.960 7.146 0.814 25505
19 1 1 . 1 1 190 190 TRP N N 190 121.072 121.072 119.805 1.267 25505
20 1 1 . 1 1 190 190 TRP HA H 190 4.500 4.500 4.954 -0.454 25505
21 1 1 . 1 1 190 190 TRP C C 190 176.298 176.298 177.875 -1.577 25505
22 1 1 . 1 1 190 190 TRP CA C 190 58.125 58.125 60.111 -1.986 25505
23 1 1 . 1 1 190 190 TRP CB C 190 29.268 29.268 31.362 -2.094 25505
24 1 1 . 1 1 190 190 TRP H H 190 7.880 7.880 8.738 -0.858 25505
25 1 1 . 1 1 191 191 LYS N N 191 121.958 121.958 120.080 1.878 25505
26 1 1 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.312 -0.362 25505
27 1 1 . 1 1 191 191 LYS C C 191 176.686 176.686 178.847 -2.161 25505
28 1 1 . 1 1 191 191 LYS CA C 191 57.206 57.206 59.521 -2.315 25505
29 1 1 . 1 1 191 191 LYS CB C 191 32.499 32.499 32.080 0.419 25505
30 1 1 . 1 1 191 191 LYS H H 191 7.970 7.970 7.848 0.122 25505
31 1 1 . 1 1 192 192 ASN N N 192 117.983 117.983 116.922 1.061 25505
32 1 1 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.558 -0.038 25505
33 1 1 . 1 1 192 192 ASN C C 192 176.762 176.762 176.537 0.225 25505
34 1 1 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.543 -1.791 25505
35 1 1 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.521 -0.073 25505
36 1 1 . 1 1 192 192 ASN H H 192 8.070 8.070 8.508 -0.438 25505
37 1 1 . 1 1 193 193 PHE N N 193 120.529 120.529 118.127 2.402 25505
38 1 1 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.771 -0.271 25505
39 1 1 . 1 1 193 193 PHE C C 193 175.348 175.348 176.768 -1.420 25505
40 1 1 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.865 0.615 25505
41 1 1 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.642 -0.401 25505
42 1 1 . 1 1 193 193 PHE H H 193 8.030 8.030 7.596 0.434 25505
43 1 1 . 1 1 194 194 GLN N N 194 120.689 120.689 119.340 1.349 25505
44 1 1 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.630 1.620 25505
45 1 1 . 1 1 194 194 GLN C C 194 175.890 175.890 175.822 0.068 25505
46 1 1 . 1 1 194 194 GLN CA C 194 56.257 56.257 56.913 -0.657 25505
47 1 1 . 1 1 194 194 GLN CB C 194 29.571 29.571 27.783 1.788 25505
48 1 1 . 1 1 194 194 GLN H H 194 8.190 8.190 7.352 0.838 25505
49 1 2 . 1 1 187 187 TYR N N 187 120.720 120.720 116.679 4.041 25505
50 1 2 . 1 1 187 187 TYR HA H 187 4.340 4.340 3.783 0.557 25505
51 1 2 . 1 1 187 187 TYR C C 187 176.218 176.218 175.528 0.690 25505
52 1 2 . 1 1 187 187 TYR CA C 187 58.970 58.970 57.895 1.075 25505
53 1 2 . 1 1 187 187 TYR CB C 187 38.401 38.401 38.194 0.207 25505
54 1 2 . 1 1 187 187 TYR H H 187 8.100 8.100 7.659 0.441 25505
55 1 2 . 1 1 188 188 GLN N N 188 120.417 120.417 122.415 -1.998 25505
56 1 2 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.616 0.294 25505
57 1 2 . 1 1 188 188 GLN C C 188 176.288 176.288 176.809 -0.521 25505
58 1 2 . 1 1 188 188 GLN CA C 188 56.782 56.782 58.012 -1.230 25505
59 1 2 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.810 1.797 25505
60 1 2 . 1 1 188 188 GLN H H 188 8.170 8.170 8.593 -0.423 25505
61 1 2 . 1 1 189 189 PHE N N 189 120.153 120.153 115.394 4.759 25505
62 1 2 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.454 -0.074 25505
63 1 2 . 1 1 189 189 PHE C C 189 176.196 176.196 176.275 -0.079 25505
64 1 2 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.999 0.003 25505
65 1 2 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.730 1.380 25505
66 1 2 . 1 1 189 189 PHE H H 189 7.960 7.960 6.892 1.068 25505
67 1 2 . 1 1 190 190 TRP N N 190 121.072 121.072 118.606 2.466 25505
68 1 2 . 1 1 190 190 TRP HA H 190 4.500 4.500 5.190 -0.690 25505
69 1 2 . 1 1 190 190 TRP C C 190 176.298 176.298 177.719 -1.421 25505
70 1 2 . 1 1 190 190 TRP CA C 190 58.125 58.125 57.363 0.762 25505
71 1 2 . 1 1 190 190 TRP CB C 190 29.268 29.268 30.435 -1.167 25505
72 1 2 . 1 1 190 190 TRP H H 190 7.880 7.880 7.866 0.014 25505
73 1 2 . 1 1 191 191 LYS N N 191 121.958 121.958 123.032 -1.074 25505
74 1 2 . 1 1 191 191 LYS HA H 191 3.950 3.950 2.978 0.972 25505
75 1 2 . 1 1 191 191 LYS C C 191 176.686 176.686 177.628 -0.942 25505
76 1 2 . 1 1 191 191 LYS CA C 191 57.206 57.206 58.506 -1.300 25505
77 1 2 . 1 1 191 191 LYS CB C 191 32.499 32.499 31.127 1.372 25505
78 1 2 . 1 1 191 191 LYS H H 191 7.970 7.970 6.435 1.535 25505
79 1 2 . 1 1 192 192 ASN N N 192 117.983 117.983 116.966 1.017 25505
80 1 2 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.486 0.034 25505
81 1 2 . 1 1 192 192 ASN C C 192 176.762 176.762 176.286 0.476 25505
82 1 2 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.015 -1.263 25505
83 1 2 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.390 0.058 25505
84 1 2 . 1 1 192 192 ASN H H 192 8.070 8.070 8.047 0.023 25505
85 1 2 . 1 1 193 193 PHE N N 193 120.529 120.529 118.648 1.881 25505
86 1 2 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.883 -0.383 25505
87 1 2 . 1 1 193 193 PHE C C 193 175.348 175.348 176.796 -1.448 25505
88 1 2 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.830 0.651 25505
89 1 2 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.973 -0.733 25505
90 1 2 . 1 1 193 193 PHE H H 193 8.030 8.030 7.684 0.346 25505
91 1 2 . 1 1 194 194 GLN N N 194 120.689 120.689 119.343 1.346 25505
92 1 2 . 1 1 194 194 GLN HA H 194 4.250 4.250 3.229 1.021 25505
93 1 2 . 1 1 194 194 GLN C C 194 175.890 175.890 176.030 -0.140 25505
94 1 2 . 1 1 194 194 GLN CA C 194 56.257 56.257 57.461 -1.204 25505
95 1 2 . 1 1 194 194 GLN CB C 194 29.571 29.571 28.432 1.139 25505
96 1 2 . 1 1 194 194 GLN H H 194 8.190 8.190 8.070 0.119 25505
97 1 3 . 1 1 187 187 TYR N N 187 120.720 120.720 115.885 4.835 25505
98 1 3 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.231 0.109 25505
99 1 3 . 1 1 187 187 TYR C C 187 176.218 176.218 175.283 0.935 25505
100 1 3 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.140 0.830 25505
101 1 3 . 1 1 187 187 TYR CB C 187 38.401 38.401 37.659 0.742 25505
102 1 3 . 1 1 187 187 TYR H H 187 8.100 8.100 7.244 0.856 25505
103 1 3 . 1 1 188 188 GLN N N 188 120.417 120.417 121.530 -1.113 25505
104 1 3 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.768 0.142 25505
105 1 3 . 1 1 188 188 GLN C C 188 176.288 176.288 176.573 -0.285 25505
106 1 3 . 1 1 188 188 GLN CA C 188 56.782 56.782 57.659 -0.877 25505
107 1 3 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.541 2.066 25505
108 1 3 . 1 1 188 188 GLN H H 188 8.170 8.170 6.935 1.235 25505
109 1 3 . 1 1 189 189 PHE N N 189 120.153 120.153 115.289 4.864 25505
110 1 3 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.290 0.090 25505
111 1 3 . 1 1 189 189 PHE C C 189 176.196 176.196 176.258 -0.062 25505
112 1 3 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.542 0.461 25505
113 1 3 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.198 1.912 25505
114 1 3 . 1 1 189 189 PHE H H 189 7.960 7.960 6.898 1.062 25505
115 1 3 . 1 1 190 190 TRP N N 190 121.072 121.072 120.994 0.078 25505
116 1 3 . 1 1 190 190 TRP HA H 190 4.500 4.500 5.183 -0.683 25505
117 1 3 . 1 1 190 190 TRP C C 190 176.298 176.298 177.743 -1.445 25505
118 1 3 . 1 1 190 190 TRP CA C 190 58.125 58.125 59.833 -1.708 25505
119 1 3 . 1 1 190 190 TRP CB C 190 29.268 29.268 31.239 -1.971 25505
120 1 3 . 1 1 190 190 TRP H H 190 7.880 7.880 7.828 0.052 25505
121 1 3 . 1 1 191 191 LYS N N 191 121.958 121.958 120.470 1.488 25505
122 1 3 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.195 -0.245 25505
123 1 3 . 1 1 191 191 LYS C C 191 176.686 176.686 178.417 -1.731 25505
124 1 3 . 1 1 191 191 LYS CA C 191 57.206 57.206 59.352 -2.146 25505
125 1 3 . 1 1 191 191 LYS CB C 191 32.499 32.499 32.192 0.307 25505
126 1 3 . 1 1 191 191 LYS H H 191 7.970 7.970 7.916 0.054 25505
127 1 3 . 1 1 192 192 ASN N N 192 117.983 117.983 118.039 -0.056 25505
128 1 3 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.462 0.058 25505
129 1 3 . 1 1 192 192 ASN C C 192 176.762 176.762 176.607 0.155 25505
130 1 3 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.621 -1.869 25505
131 1 3 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.445 0.003 25505
132 1 3 . 1 1 192 192 ASN H H 192 8.070 8.070 8.394 -0.324 25505
133 1 3 . 1 1 193 193 PHE N N 193 120.529 120.529 117.092 3.437 25505
134 1 3 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.707 -0.207 25505
135 1 3 . 1 1 193 193 PHE C C 193 175.348 175.348 176.640 -1.292 25505
136 1 3 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.532 0.948 25505
137 1 3 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.568 -0.328 25505
138 1 3 . 1 1 193 193 PHE H H 193 8.030 8.030 7.432 0.598 25505
139 1 3 . 1 1 194 194 GLN N N 194 120.689 120.689 119.091 1.598 25505
140 1 3 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.588 1.662 25505
141 1 3 . 1 1 194 194 GLN C C 194 175.890 175.890 175.771 0.119 25505
142 1 3 . 1 1 194 194 GLN CA C 194 56.257 56.257 57.160 -0.903 25505
143 1 3 . 1 1 194 194 GLN CB C 194 29.571 29.571 28.116 1.455 25505
144 1 3 . 1 1 194 194 GLN H H 194 8.190 8.190 7.110 1.080 25505
145 1 4 . 1 1 187 187 TYR N N 187 120.720 120.720 117.168 3.552 25505
146 1 4 . 1 1 187 187 TYR HA H 187 4.340 4.340 3.906 0.434 25505
147 1 4 . 1 1 187 187 TYR C C 187 176.218 176.218 174.234 1.984 25505
148 1 4 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.247 0.723 25505
149 1 4 . 1 1 187 187 TYR CB C 187 38.401 38.401 37.706 0.695 25505
150 1 4 . 1 1 187 187 TYR H H 187 8.100 8.100 7.396 0.704 25505
151 1 4 . 1 1 188 188 GLN N N 188 120.417 120.417 121.404 -0.987 25505
152 1 4 . 1 1 188 188 GLN HA H 188 3.910 3.910 2.507 1.403 25505
153 1 4 . 1 1 188 188 GLN C C 188 176.288 176.288 176.234 0.054 25505
154 1 4 . 1 1 188 188 GLN CA C 188 56.782 56.782 56.669 0.113 25505
155 1 4 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.003 2.603 25505
156 1 4 . 1 1 188 188 GLN H H 188 8.170 8.170 7.805 0.365 25505
157 1 4 . 1 1 189 189 PHE N N 189 120.153 120.153 115.442 4.711 25505
158 1 4 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.458 -0.078 25505
159 1 4 . 1 1 189 189 PHE C C 189 176.196 176.196 176.152 0.044 25505
160 1 4 . 1 1 189 189 PHE CA C 189 59.003 59.003 59.320 -0.317 25505
161 1 4 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.707 1.403 25505
162 1 4 . 1 1 189 189 PHE H H 189 7.960 7.960 6.568 1.392 25505
163 1 4 . 1 1 190 190 TRP N N 190 121.072 121.072 117.237 3.835 25505
164 1 4 . 1 1 190 190 TRP HA H 190 4.500 4.500 3.722 0.778 25505
165 1 4 . 1 1 190 190 TRP C C 190 176.298 176.298 176.605 -0.307 25505
166 1 4 . 1 1 190 190 TRP CA C 190 58.125 58.125 56.169 1.956 25505
167 1 4 . 1 1 190 190 TRP CB C 190 29.268 29.268 29.837 -0.569 25505
168 1 4 . 1 1 190 190 TRP H H 190 7.880 7.880 6.981 0.899 25505
169 1 4 . 1 1 191 191 LYS N N 191 121.958 121.958 122.808 -0.850 25505
170 1 4 . 1 1 191 191 LYS HA H 191 3.950 3.950 3.537 0.413 25505
171 1 4 . 1 1 191 191 LYS C C 191 176.686 176.686 177.604 -0.918 25505
172 1 4 . 1 1 191 191 LYS CA C 191 57.206 57.206 58.227 -1.021 25505
173 1 4 . 1 1 191 191 LYS CB C 191 32.499 32.499 30.845 1.654 25505
174 1 4 . 1 1 191 191 LYS H H 191 7.970 7.970 5.792 2.178 25505
175 1 4 . 1 1 192 192 ASN N N 192 117.983 117.983 117.444 0.539 25505
176 1 4 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.361 0.159 25505
177 1 4 . 1 1 192 192 ASN C C 192 176.762 176.762 176.115 0.647 25505
178 1 4 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.189 -1.437 25505
179 1 4 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.288 0.160 25505
180 1 4 . 1 1 192 192 ASN H H 192 8.070 8.070 8.001 0.069 25505
181 1 4 . 1 1 193 193 PHE N N 193 120.529 120.529 114.965 5.564 25505
182 1 4 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.945 -0.445 25505
183 1 4 . 1 1 193 193 PHE C C 193 175.348 175.348 176.874 -1.526 25505
184 1 4 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.608 0.871 25505
185 1 4 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.282 -0.042 25505
186 1 4 . 1 1 193 193 PHE H H 193 8.030 8.030 7.008 1.022 25505
187 1 4 . 1 1 194 194 GLN N N 194 120.689 120.689 120.529 0.160 25505
188 1 4 . 1 1 194 194 GLN HA H 194 4.250 4.250 4.267 -0.017 25505
189 1 4 . 1 1 194 194 GLN C C 194 175.890 175.890 177.136 -1.246 25505
190 1 4 . 1 1 194 194 GLN CA C 194 56.257 56.257 58.325 -2.068 25505
191 1 4 . 1 1 194 194 GLN CB C 194 29.571 29.571 28.670 0.901 25505
192 1 4 . 1 1 194 194 GLN H H 194 8.190 8.190 7.585 0.605 25505
193 1 5 . 1 1 187 187 TYR N N 187 120.720 120.720 118.635 2.085 25505
194 1 5 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.619 -0.279 25505
195 1 5 . 1 1 187 187 TYR C C 187 176.218 176.218 175.878 0.340 25505
196 1 5 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.388 0.583 25505
197 1 5 . 1 1 187 187 TYR CB C 187 38.401 38.401 38.328 0.073 25505
198 1 5 . 1 1 187 187 TYR H H 187 8.100 8.100 8.035 0.065 25505
199 1 5 . 1 1 188 188 GLN N N 188 120.417 120.417 121.526 -1.109 25505
200 1 5 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.598 0.312 25505
201 1 5 . 1 1 188 188 GLN C C 188 176.288 176.288 176.731 -0.443 25505
202 1 5 . 1 1 188 188 GLN CA C 188 56.782 56.782 58.113 -1.331 25505
203 1 5 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.689 1.918 25505
204 1 5 . 1 1 188 188 GLN H H 188 8.170 8.170 8.568 -0.398 25505
205 1 5 . 1 1 189 189 PHE N N 189 120.153 120.153 117.057 3.096 25505
206 1 5 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.317 0.063 25505
207 1 5 . 1 1 189 189 PHE C C 189 176.196 176.196 176.941 -0.745 25505
208 1 5 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.799 0.204 25505
209 1 5 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.582 1.528 25505
210 1 5 . 1 1 189 189 PHE H H 189 7.960 7.960 7.108 0.852 25505
211 1 5 . 1 1 190 190 TRP N N 190 121.072 121.072 119.525 1.547 25505
212 1 5 . 1 1 190 190 TRP HA H 190 4.500 4.500 5.024 -0.524 25505
213 1 5 . 1 1 190 190 TRP C C 190 176.298 176.298 177.391 -1.093 25505
214 1 5 . 1 1 190 190 TRP CA C 190 58.125 58.125 59.880 -1.755 25505
215 1 5 . 1 1 190 190 TRP CB C 190 29.268 29.268 30.671 -1.403 25505
216 1 5 . 1 1 190 190 TRP H H 190 7.880 7.880 8.372 -0.492 25505
217 1 5 . 1 1 191 191 LYS N N 191 121.958 121.958 120.202 1.756 25505
218 1 5 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.217 -0.267 25505
219 1 5 . 1 1 191 191 LYS C C 191 176.686 176.686 178.186 -1.500 25505
220 1 5 . 1 1 191 191 LYS CA C 191 57.206 57.206 60.526 -3.321 25505
221 1 5 . 1 1 191 191 LYS CB C 191 32.499 32.499 32.618 -0.119 25505
222 1 5 . 1 1 191 191 LYS H H 191 7.970 7.970 7.675 0.295 25505
223 1 5 . 1 1 192 192 ASN N N 192 117.983 117.983 118.598 -0.615 25505
224 1 5 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.473 0.047 25505
225 1 5 . 1 1 192 192 ASN C C 192 176.762 176.762 176.521 0.241 25505
226 1 5 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.834 -2.082 25505
227 1 5 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.420 0.028 25505
228 1 5 . 1 1 192 192 ASN H H 192 8.070 8.070 8.456 -0.386 25505
229 1 5 . 1 1 193 193 PHE N N 193 120.529 120.529 115.635 4.894 25505
230 1 5 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.789 -0.289 25505
231 1 5 . 1 1 193 193 PHE C C 193 175.348 175.348 176.535 -1.187 25505
232 1 5 . 1 1 193 193 PHE CA C 193 58.480 58.480 58.009 0.471 25505
233 1 5 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.411 -0.171 25505
234 1 5 . 1 1 193 193 PHE H H 193 8.030 8.030 7.660 0.370 25505
235 1 5 . 1 1 194 194 GLN N N 194 120.689 120.689 119.467 1.222 25505
236 1 5 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.670 1.580 25505
237 1 5 . 1 1 194 194 GLN C C 194 175.890 175.890 176.711 -0.821 25505
238 1 5 . 1 1 194 194 GLN CA C 194 56.257 56.257 57.297 -1.040 25505
239 1 5 . 1 1 194 194 GLN CB C 194 29.571 29.571 27.656 1.915 25505
240 1 5 . 1 1 194 194 GLN H H 194 8.190 8.190 6.637 1.553 25505
241 1 6 . 1 1 187 187 TYR N N 187 120.720 120.720 116.867 3.853 25505
242 1 6 . 1 1 187 187 TYR HA H 187 4.340 4.340 3.776 0.564 25505
243 1 6 . 1 1 187 187 TYR C C 187 176.218 176.218 175.549 0.669 25505
244 1 6 . 1 1 187 187 TYR CA C 187 58.970 58.970 57.997 0.973 25505
245 1 6 . 1 1 187 187 TYR CB C 187 38.401 38.401 37.801 0.600 25505
246 1 6 . 1 1 187 187 TYR H H 187 8.100 8.100 7.704 0.396 25505
247 1 6 . 1 1 188 188 GLN N N 188 120.417 120.417 123.103 -2.686 25505
248 1 6 . 1 1 188 188 GLN HA H 188 3.910 3.910 4.063 -0.153 25505
249 1 6 . 1 1 188 188 GLN C C 188 176.288 176.288 176.959 -0.671 25505
250 1 6 . 1 1 188 188 GLN CA C 188 56.782 56.782 58.201 -1.419 25505
251 1 6 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.893 1.714 25505
252 1 6 . 1 1 188 188 GLN H H 188 8.170 8.170 8.769 -0.599 25505
253 1 6 . 1 1 189 189 PHE N N 189 120.153 120.153 114.780 5.373 25505
254 1 6 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.451 -0.071 25505
255 1 6 . 1 1 189 189 PHE C C 189 176.196 176.196 176.500 -0.304 25505
256 1 6 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.587 0.416 25505
257 1 6 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.435 1.675 25505
258 1 6 . 1 1 189 189 PHE H H 189 7.960 7.960 6.996 0.964 25505
259 1 6 . 1 1 190 190 TRP N N 190 121.072 121.072 121.588 -0.516 25505
260 1 6 . 1 1 190 190 TRP HA H 190 4.500 4.500 5.226 -0.726 25505
261 1 6 . 1 1 190 190 TRP C C 190 176.298 176.298 177.841 -1.543 25505
262 1 6 . 1 1 190 190 TRP CA C 190 58.125 58.125 60.172 -2.047 25505
263 1 6 . 1 1 190 190 TRP CB C 190 29.268 29.268 31.237 -1.969 25505
264 1 6 . 1 1 190 190 TRP H H 190 7.880 7.880 8.396 -0.516 25505
265 1 6 . 1 1 191 191 LYS N N 191 121.958 121.958 120.379 1.579 25505
266 1 6 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.263 -0.313 25505
267 1 6 . 1 1 191 191 LYS C C 191 176.686 176.686 178.386 -1.700 25505
268 1 6 . 1 1 191 191 LYS CA C 191 57.206 57.206 59.950 -2.744 25505
269 1 6 . 1 1 191 191 LYS CB C 191 32.499 32.499 32.451 0.048 25505
270 1 6 . 1 1 191 191 LYS H H 191 7.970 7.970 7.807 0.163 25505
271 1 6 . 1 1 192 192 ASN N N 192 117.983 117.983 118.395 -0.412 25505
272 1 6 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.515 0.005 25505
273 1 6 . 1 1 192 192 ASN C C 192 176.762 176.762 176.453 0.309 25505
274 1 6 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.651 -1.899 25505
275 1 6 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.548 -0.100 25505
276 1 6 . 1 1 192 192 ASN H H 192 8.070 8.070 8.531 -0.461 25505
277 1 6 . 1 1 193 193 PHE N N 193 120.529 120.529 117.025 3.504 25505
278 1 6 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.788 -0.288 25505
279 1 6 . 1 1 193 193 PHE C C 193 175.348 175.348 176.421 -1.073 25505
280 1 6 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.640 0.840 25505
281 1 6 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.700 -0.460 25505
282 1 6 . 1 1 193 193 PHE H H 193 8.030 8.030 7.512 0.518 25505
283 1 6 . 1 1 194 194 GLN N N 194 120.689 120.689 118.613 2.076 25505
284 1 6 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.592 1.658 25505
285 1 6 . 1 1 194 194 GLN C C 194 175.890 175.890 176.052 -0.162 25505
286 1 6 . 1 1 194 194 GLN CA C 194 56.257 56.257 56.950 -0.693 25505
287 1 6 . 1 1 194 194 GLN CB C 194 29.571 29.571 27.776 1.795 25505
288 1 6 . 1 1 194 194 GLN H H 194 8.190 8.190 7.144 1.046 25505
289 1 7 . 1 1 187 187 TYR N N 187 120.720 120.720 117.587 3.133 25505
290 1 7 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.547 -0.207 25505
291 1 7 . 1 1 187 187 TYR C C 187 176.218 176.218 176.426 -0.208 25505
292 1 7 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.141 0.829 25505
293 1 7 . 1 1 187 187 TYR CB C 187 38.401 38.401 38.288 0.113 25505
294 1 7 . 1 1 187 187 TYR H H 187 8.100 8.100 7.143 0.957 25505
295 1 7 . 1 1 188 188 GLN N N 188 120.417 120.417 121.481 -1.064 25505
296 1 7 . 1 1 188 188 GLN HA H 188 3.910 3.910 4.080 -0.170 25505
297 1 7 . 1 1 188 188 GLN C C 188 176.288 176.288 177.528 -1.240 25505
298 1 7 . 1 1 188 188 GLN CA C 188 56.782 56.782 58.607 -1.825 25505
299 1 7 . 1 1 188 188 GLN CB C 188 28.607 28.607 27.446 1.161 25505
300 1 7 . 1 1 188 188 GLN H H 188 8.170 8.170 8.691 -0.521 25505
301 1 7 . 1 1 189 189 PHE N N 189 120.153 120.153 117.706 2.447 25505
302 1 7 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.346 0.034 25505
303 1 7 . 1 1 189 189 PHE C C 189 176.196 176.196 177.203 -1.007 25505
304 1 7 . 1 1 189 189 PHE CA C 189 59.003 59.003 59.074 -0.071 25505
305 1 7 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.736 1.374 25505
306 1 7 . 1 1 189 189 PHE H H 189 7.960 7.960 7.367 0.593 25505
307 1 7 . 1 1 190 190 TRP N N 190 121.072 121.072 118.868 2.204 25505
308 1 7 . 1 1 190 190 TRP HA H 190 4.500 4.500 4.970 -0.470 25505
309 1 7 . 1 1 190 190 TRP C C 190 176.298 176.298 177.675 -1.377 25505
310 1 7 . 1 1 190 190 TRP CA C 190 58.125 58.125 59.587 -1.462 25505
311 1 7 . 1 1 190 190 TRP CB C 190 29.268 29.268 31.286 -2.018 25505
312 1 7 . 1 1 190 190 TRP H H 190 7.880 7.880 8.587 -0.707 25505
313 1 7 . 1 1 191 191 LYS N N 191 121.958 121.958 120.358 1.600 25505
314 1 7 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.335 -0.385 25505
315 1 7 . 1 1 191 191 LYS C C 191 176.686 176.686 178.711 -2.025 25505
316 1 7 . 1 1 191 191 LYS CA C 191 57.206 57.206 58.953 -1.747 25505
317 1 7 . 1 1 191 191 LYS CB C 191 32.499 32.499 31.869 0.630 25505
318 1 7 . 1 1 191 191 LYS H H 191 7.970 7.970 7.767 0.203 25505
319 1 7 . 1 1 192 192 ASN N N 192 117.983 117.983 117.208 0.775 25505
320 1 7 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.521 -0.001 25505
321 1 7 . 1 1 192 192 ASN C C 192 176.762 176.762 176.538 0.224 25505
322 1 7 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.514 -1.762 25505
323 1 7 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.468 -0.020 25505
324 1 7 . 1 1 192 192 ASN H H 192 8.070 8.070 8.400 -0.330 25505
325 1 7 . 1 1 193 193 PHE N N 193 120.529 120.529 118.170 2.359 25505
326 1 7 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.724 -0.224 25505
327 1 7 . 1 1 193 193 PHE C C 193 175.348 175.348 176.623 -1.275 25505
328 1 7 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.877 0.603 25505
329 1 7 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.602 -0.362 25505
330 1 7 . 1 1 193 193 PHE H H 193 8.030 8.030 7.511 0.519 25505
331 1 7 . 1 1 194 194 GLN N N 194 120.689 120.689 118.803 1.886 25505
332 1 7 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.550 1.700 25505
333 1 7 . 1 1 194 194 GLN C C 194 175.890 175.890 176.069 -0.179 25505
334 1 7 . 1 1 194 194 GLN CA C 194 56.257 56.257 56.849 -0.592 25505
335 1 7 . 1 1 194 194 GLN CB C 194 29.571 29.571 27.432 2.139 25505
336 1 7 . 1 1 194 194 GLN H H 194 8.190 8.190 7.162 1.028 25505
337 1 8 . 1 1 187 187 TYR N N 187 120.720 120.720 120.975 -0.255 25505
338 1 8 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.411 -0.071 25505
339 1 8 . 1 1 187 187 TYR C C 187 176.218 176.218 177.137 -0.919 25505
340 1 8 . 1 1 187 187 TYR CA C 187 58.970 58.970 59.642 -0.673 25505
341 1 8 . 1 1 187 187 TYR CB C 187 38.401 38.401 38.088 0.313 25505
342 1 8 . 1 1 187 187 TYR H H 187 8.100 8.100 7.901 0.199 25505
343 1 8 . 1 1 188 188 GLN N N 188 120.417 120.417 118.344 2.073 25505
344 1 8 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.414 0.496 25505
345 1 8 . 1 1 188 188 GLN C C 188 176.288 176.288 177.580 -1.292 25505
346 1 8 . 1 1 188 188 GLN CA C 188 56.782 56.782 57.873 -1.091 25505
347 1 8 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.870 1.737 25505
348 1 8 . 1 1 188 188 GLN H H 188 8.170 8.170 7.460 0.710 25505
349 1 8 . 1 1 189 189 PHE N N 189 120.153 120.153 117.003 3.150 25505
350 1 8 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.311 0.069 25505
351 1 8 . 1 1 189 189 PHE C C 189 176.196 176.196 176.962 -0.766 25505
352 1 8 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.641 0.362 25505
353 1 8 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.503 1.607 25505
354 1 8 . 1 1 189 189 PHE H H 189 7.960 7.960 7.695 0.265 25505
355 1 8 . 1 1 190 190 TRP N N 190 121.072 121.072 119.738 1.334 25505
356 1 8 . 1 1 190 190 TRP HA H 190 4.500 4.500 4.986 -0.486 25505
357 1 8 . 1 1 190 190 TRP C C 190 176.298 176.298 177.766 -1.468 25505
358 1 8 . 1 1 190 190 TRP CA C 190 58.125 58.125 60.100 -1.975 25505
359 1 8 . 1 1 190 190 TRP CB C 190 29.268 29.268 30.810 -1.542 25505
360 1 8 . 1 1 190 190 TRP H H 190 7.880 7.880 7.647 0.233 25505
361 1 8 . 1 1 191 191 LYS N N 191 121.958 121.958 120.394 1.564 25505
362 1 8 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.307 -0.357 25505
363 1 8 . 1 1 191 191 LYS C C 191 176.686 176.686 178.311 -1.625 25505
364 1 8 . 1 1 191 191 LYS CA C 191 57.206 57.206 60.599 -3.393 25505
365 1 8 . 1 1 191 191 LYS CB C 191 32.499 32.499 32.688 -0.189 25505
366 1 8 . 1 1 191 191 LYS H H 191 7.970 7.970 7.824 0.146 25505
367 1 8 . 1 1 192 192 ASN N N 192 117.983 117.983 118.456 -0.473 25505
368 1 8 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.501 0.019 25505
369 1 8 . 1 1 192 192 ASN C C 192 176.762 176.762 176.388 0.374 25505
370 1 8 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.644 -1.892 25505
371 1 8 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.502 -0.054 25505
372 1 8 . 1 1 192 192 ASN H H 192 8.070 8.070 8.593 -0.523 25505
373 1 8 . 1 1 193 193 PHE N N 193 120.529 120.529 117.230 3.299 25505
374 1 8 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.752 -0.252 25505
375 1 8 . 1 1 193 193 PHE C C 193 175.348 175.348 176.578 -1.230 25505
376 1 8 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.727 0.753 25505
377 1 8 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.560 -0.320 25505
378 1 8 . 1 1 193 193 PHE H H 193 8.030 8.030 7.467 0.563 25505
379 1 8 . 1 1 194 194 GLN N N 194 120.689 120.689 119.265 1.424 25505
380 1 8 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.662 1.588 25505
381 1 8 . 1 1 194 194 GLN C C 194 175.890 175.890 175.734 0.156 25505
382 1 8 . 1 1 194 194 GLN CA C 194 56.257 56.257 56.814 -0.557 25505
383 1 8 . 1 1 194 194 GLN CB C 194 29.571 29.571 27.559 2.012 25505
384 1 8 . 1 1 194 194 GLN H H 194 8.190 8.190 6.999 1.191 25505
385 1 9 . 1 1 187 187 TYR N N 187 120.720 120.720 118.709 2.011 25505
386 1 9 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.745 -0.405 25505
387 1 9 . 1 1 187 187 TYR C C 187 176.218 176.218 176.204 0.014 25505
388 1 9 . 1 1 187 187 TYR CA C 187 58.970 58.970 59.007 -0.037 25505
389 1 9 . 1 1 187 187 TYR CB C 187 38.401 38.401 38.175 0.226 25505
390 1 9 . 1 1 187 187 TYR H H 187 8.100 8.100 7.964 0.136 25505
391 1 9 . 1 1 188 188 GLN N N 188 120.417 120.417 119.906 0.511 25505
392 1 9 . 1 1 188 188 GLN HA H 188 3.910 3.910 2.777 1.133 25505
393 1 9 . 1 1 188 188 GLN C C 188 176.288 176.288 176.957 -0.669 25505
394 1 9 . 1 1 188 188 GLN CA C 188 56.782 56.782 57.821 -1.039 25505
395 1 9 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.408 2.199 25505
396 1 9 . 1 1 188 188 GLN H H 188 8.170 8.170 8.197 -0.027 25505
397 1 9 . 1 1 189 189 PHE N N 189 120.153 120.153 118.187 1.966 25505
398 1 9 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.289 0.091 25505
399 1 9 . 1 1 189 189 PHE C C 189 176.196 176.196 176.795 -0.599 25505
400 1 9 . 1 1 189 189 PHE CA C 189 59.003 59.003 59.267 -0.264 25505
401 1 9 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.760 1.350 25505
402 1 9 . 1 1 189 189 PHE H H 189 7.960 7.960 7.057 0.903 25505
403 1 9 . 1 1 190 190 TRP N N 190 121.072 121.072 116.317 4.755 25505
404 1 9 . 1 1 190 190 TRP HA H 190 4.500 4.500 5.090 -0.590 25505
405 1 9 . 1 1 190 190 TRP C C 190 176.298 176.298 177.103 -0.805 25505
406 1 9 . 1 1 190 190 TRP CA C 190 58.125 58.125 57.105 1.020 25505
407 1 9 . 1 1 190 190 TRP CB C 190 29.268 29.268 30.043 -0.775 25505
408 1 9 . 1 1 190 190 TRP H H 190 7.880 7.880 7.824 0.056 25505
409 1 9 . 1 1 191 191 LYS N N 191 121.958 121.958 123.141 -1.183 25505
410 1 9 . 1 1 191 191 LYS HA H 191 3.950 3.950 2.870 1.080 25505
411 1 9 . 1 1 191 191 LYS C C 191 176.686 176.686 177.466 -0.780 25505
412 1 9 . 1 1 191 191 LYS CA C 191 57.206 57.206 58.509 -1.303 25505
413 1 9 . 1 1 191 191 LYS CB C 191 32.499 32.499 30.864 1.635 25505
414 1 9 . 1 1 191 191 LYS H H 191 7.970 7.970 6.087 1.883 25505
415 1 9 . 1 1 192 192 ASN N N 192 117.983 117.983 117.393 0.590 25505
416 1 9 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.359 0.161 25505
417 1 9 . 1 1 192 192 ASN C C 192 176.762 176.762 176.521 0.241 25505
418 1 9 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.366 -1.614 25505
419 1 9 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.193 0.255 25505
420 1 9 . 1 1 192 192 ASN H H 192 8.070 8.070 7.968 0.102 25505
421 1 9 . 1 1 193 193 PHE N N 193 120.529 120.529 117.659 2.870 25505
422 1 9 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.865 -0.365 25505
423 1 9 . 1 1 193 193 PHE C C 193 175.348 175.348 176.651 -1.303 25505
424 1 9 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.514 0.966 25505
425 1 9 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.777 -0.537 25505
426 1 9 . 1 1 193 193 PHE H H 193 8.030 8.030 7.281 0.749 25505
427 1 9 . 1 1 194 194 GLN N N 194 120.689 120.689 119.397 1.292 25505
428 1 9 . 1 1 194 194 GLN HA H 194 4.250 4.250 3.486 0.764 25505
429 1 9 . 1 1 194 194 GLN C C 194 175.890 175.890 176.412 -0.522 25505
430 1 9 . 1 1 194 194 GLN CA C 194 56.257 56.257 57.487 -1.230 25505
431 1 9 . 1 1 194 194 GLN CB C 194 29.571 29.571 28.076 1.495 25505
432 1 9 . 1 1 194 194 GLN H H 194 8.190 8.190 7.478 0.712 25505
433 1 10 . 1 1 187 187 TYR N N 187 120.720 120.720 116.754 3.966 25505
434 1 10 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.696 -0.356 25505
435 1 10 . 1 1 187 187 TYR C C 187 176.218 176.218 175.044 1.174 25505
436 1 10 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.451 0.519 25505
437 1 10 . 1 1 187 187 TYR CB C 187 38.401 38.401 37.877 0.524 25505
438 1 10 . 1 1 187 187 TYR H H 187 8.100 8.100 7.522 0.578 25505
439 1 10 . 1 1 188 188 GLN N N 188 120.417 120.417 120.278 0.139 25505
440 1 10 . 1 1 188 188 GLN HA H 188 3.910 3.910 2.790 1.120 25505
441 1 10 . 1 1 188 188 GLN C C 188 176.288 176.288 176.602 -0.314 25505
442 1 10 . 1 1 188 188 GLN CA C 188 56.782 56.782 56.967 -0.184 25505
443 1 10 . 1 1 188 188 GLN CB C 188 28.607 28.607 25.992 2.615 25505
444 1 10 . 1 1 188 188 GLN H H 188 8.170 8.170 7.301 0.869 25505
445 1 10 . 1 1 189 189 PHE N N 189 120.153 120.153 119.610 0.543 25505
446 1 10 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.116 0.264 25505
447 1 10 . 1 1 189 189 PHE C C 189 176.196 176.196 177.242 -1.046 25505
448 1 10 . 1 1 189 189 PHE CA C 189 59.003 59.003 60.737 -1.734 25505
449 1 10 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.874 1.236 25505
450 1 10 . 1 1 189 189 PHE H H 189 7.960 7.960 7.007 0.953 25505
451 1 10 . 1 1 190 190 TRP N N 190 121.072 121.072 115.729 5.343 25505
452 1 10 . 1 1 190 190 TRP HA H 190 4.500 4.500 4.103 0.397 25505
453 1 10 . 1 1 190 190 TRP C C 190 176.298 176.298 177.050 -0.752 25505
454 1 10 . 1 1 190 190 TRP CA C 190 58.125 58.125 56.424 1.701 25505
455 1 10 . 1 1 190 190 TRP CB C 190 29.268 29.268 29.542 -0.274 25505
456 1 10 . 1 1 190 190 TRP H H 190 7.880 7.880 7.079 0.801 25505
457 1 10 . 1 1 191 191 LYS N N 191 121.958 121.958 123.102 -1.144 25505
458 1 10 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.009 -0.059 25505
459 1 10 . 1 1 191 191 LYS C C 191 176.686 176.686 177.695 -1.009 25505
460 1 10 . 1 1 191 191 LYS CA C 191 57.206 57.206 59.002 -1.796 25505
461 1 10 . 1 1 191 191 LYS CB C 191 32.499 32.499 31.114 1.385 25505
462 1 10 . 1 1 191 191 LYS H H 191 7.970 7.970 6.170 1.800 25505
463 1 10 . 1 1 192 192 ASN N N 192 117.983 117.983 117.152 0.831 25505
464 1 10 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.348 0.172 25505
465 1 10 . 1 1 192 192 ASN C C 192 176.762 176.762 176.374 0.388 25505
466 1 10 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.188 -1.436 25505
467 1 10 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.359 0.089 25505
468 1 10 . 1 1 192 192 ASN H H 192 8.070 8.070 7.568 0.502 25505
469 1 10 . 1 1 193 193 PHE N N 193 120.529 120.529 113.242 7.287 25505
470 1 10 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.896 -0.396 25505
471 1 10 . 1 1 193 193 PHE C C 193 175.348 175.348 176.674 -1.326 25505
472 1 10 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.251 1.229 25505
473 1 10 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.078 0.162 25505
474 1 10 . 1 1 193 193 PHE H H 193 8.030 8.030 6.903 1.127 25505
475 1 10 . 1 1 194 194 GLN N N 194 120.689 120.689 121.284 -0.595 25505
476 1 10 . 1 1 194 194 GLN HA H 194 4.250 4.250 4.245 0.005 25505
477 1 10 . 1 1 194 194 GLN C C 194 175.890 175.890 176.871 -0.981 25505
478 1 10 . 1 1 194 194 GLN CA C 194 56.257 56.257 58.947 -2.690 25505
479 1 10 . 1 1 194 194 GLN CB C 194 29.571 29.571 29.085 0.486 25505
480 1 10 . 1 1 194 194 GLN H H 194 8.190 8.190 8.319 -0.129 25505
481 1 11 . 1 1 187 187 TYR N N 187 120.720 120.720 116.957 3.763 25505
482 1 11 . 1 1 187 187 TYR HA H 187 4.340 4.340 3.906 0.434 25505
483 1 11 . 1 1 187 187 TYR C C 187 176.218 176.218 174.966 1.252 25505
484 1 11 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.180 0.790 25505
485 1 11 . 1 1 187 187 TYR CB C 187 38.401 38.401 37.780 0.621 25505
486 1 11 . 1 1 187 187 TYR H H 187 8.100 8.100 7.427 0.673 25505
487 1 11 . 1 1 188 188 GLN N N 188 120.417 120.417 122.238 -1.821 25505
488 1 11 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.723 0.187 25505
489 1 11 . 1 1 188 188 GLN C C 188 176.288 176.288 176.785 -0.497 25505
490 1 11 . 1 1 188 188 GLN CA C 188 56.782 56.782 57.385 -0.603 25505
491 1 11 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.128 2.479 25505
492 1 11 . 1 1 188 188 GLN H H 188 8.170 8.170 7.090 1.080 25505
493 1 11 . 1 1 189 189 PHE N N 189 120.153 120.153 115.001 5.152 25505
494 1 11 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.304 0.076 25505
495 1 11 . 1 1 189 189 PHE C C 189 176.196 176.196 176.459 -0.263 25505
496 1 11 . 1 1 189 189 PHE CA C 189 59.003 59.003 58.874 0.129 25505
497 1 11 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.312 1.798 25505
498 1 11 . 1 1 189 189 PHE H H 189 7.960 7.960 6.810 1.150 25505
499 1 11 . 1 1 190 190 TRP N N 190 121.072 121.072 121.454 -0.382 25505
500 1 11 . 1 1 190 190 TRP HA H 190 4.500 4.500 5.154 -0.654 25505
501 1 11 . 1 1 190 190 TRP C C 190 176.298 176.298 177.890 -1.592 25505
502 1 11 . 1 1 190 190 TRP CA C 190 58.125 58.125 60.014 -1.889 25505
503 1 11 . 1 1 190 190 TRP CB C 190 29.268 29.268 31.367 -2.099 25505
504 1 11 . 1 1 190 190 TRP H H 190 7.880 7.880 8.189 -0.309 25505
505 1 11 . 1 1 191 191 LYS N N 191 121.958 121.958 120.301 1.657 25505
506 1 11 . 1 1 191 191 LYS HA H 191 3.950 3.950 4.305 -0.355 25505
507 1 11 . 1 1 191 191 LYS C C 191 176.686 176.686 178.505 -1.819 25505
508 1 11 . 1 1 191 191 LYS CA C 191 57.206 57.206 60.888 -3.682 25505
509 1 11 . 1 1 191 191 LYS CB C 191 32.499 32.499 32.739 -0.240 25505
510 1 11 . 1 1 191 191 LYS H H 191 7.970 7.970 7.776 0.194 25505
511 1 11 . 1 1 192 192 ASN N N 192 117.983 117.983 117.982 0.001 25505
512 1 11 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.507 0.013 25505
513 1 11 . 1 1 192 192 ASN C C 192 176.762 176.762 176.399 0.363 25505
514 1 11 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.645 -1.893 25505
515 1 11 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.543 -0.095 25505
516 1 11 . 1 1 192 192 ASN H H 192 8.070 8.070 8.431 -0.361 25505
517 1 11 . 1 1 193 193 PHE N N 193 120.529 120.529 116.257 4.272 25505
518 1 11 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.867 -0.367 25505
519 1 11 . 1 1 193 193 PHE C C 193 175.348 175.348 176.567 -1.219 25505
520 1 11 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.306 1.174 25505
521 1 11 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.941 -0.701 25505
522 1 11 . 1 1 193 193 PHE H H 193 8.030 8.030 7.415 0.615 25505
523 1 11 . 1 1 194 194 GLN N N 194 120.689 120.689 119.256 1.433 25505
524 1 11 . 1 1 194 194 GLN HA H 194 4.250 4.250 2.527 1.723 25505
525 1 11 . 1 1 194 194 GLN C C 194 175.890 175.890 175.922 -0.032 25505
526 1 11 . 1 1 194 194 GLN CA C 194 56.257 56.257 57.112 -0.855 25505
527 1 11 . 1 1 194 194 GLN CB C 194 29.571 29.571 27.793 1.778 25505
528 1 11 . 1 1 194 194 GLN H H 194 8.190 8.190 7.586 0.604 25505
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 8 2.286 -1.670 1.668 25505
2 1 1 "Average Difference" HA 8 0.627 -0.009 0.670 25505
3 1 1 "Average Difference" C 8 1.145 0.781 0.895 25505
4 1 1 "Average Difference" CA 8 1.458 0.810 1.296 25505
5 1 1 "Average Difference" CB 8 1.306 -0.409 1.326 25505
6 1 1 "Average Difference" HN 8 0.613 -0.216 0.614 25505
7 1 2 "Average Difference" N 8 2.660 -1.555 2.307 25505
8 1 2 "Average Difference" HA 8 0.614 -0.216 0.614 25505
9 1 2 "Average Difference" C 8 0.866 0.423 0.808 25505
10 1 2 "Average Difference" CA 8 1.025 0.313 1.043 25505
11 1 2 "Average Difference" CB 8 1.132 -0.507 1.083 25505
12 1 2 "Average Difference" HN 8 0.707 -0.390 0.631 25505
13 1 3 "Average Difference" N 8 2.847 -1.891 2.276 25505
14 1 3 "Average Difference" HA 8 0.649 -0.116 0.683 25505
15 1 3 "Average Difference" C 8 0.984 0.451 0.935 25505
16 1 3 "Average Difference" CA 8 1.342 0.658 1.250 25505
17 1 3 "Average Difference" CB 8 1.354 -0.523 1.336 25505
18 1 3 "Average Difference" HN 8 0.792 -0.577 0.581 25505
19 1 4 "Average Difference" N 8 3.211 -2.066 2.628 25505
20 1 4 "Average Difference" HA 8 0.629 -0.331 0.572 25505
21 1 4 "Average Difference" C 8 1.071 0.158 1.132 25505
22 1 4 "Average Difference" CA 8 1.255 0.147 1.333 25505
23 1 4 "Average Difference" CB 8 1.281 -0.851 1.024 25505
24 1 4 "Average Difference" HN 8 1.092 -0.904 0.654 25505
25 1 5 "Average Difference" N 8 2.410 -1.609 1.918 25505
26 1 5 "Average Difference" HA 8 0.623 -0.080 0.661 25505
27 1 5 "Average Difference" C 8 0.898 0.651 0.661 25505
28 1 5 "Average Difference" CA 8 1.654 1.034 1.381 25505
29 1 5 "Average Difference" CB 8 1.209 -0.471 1.191 25505
30 1 5 "Average Difference" HN 8 0.700 -0.232 0.705 25505
31 1 6 "Average Difference" N 8 2.967 -1.596 2.674 25505
32 1 6 "Average Difference" HA 8 0.690 -0.084 0.732 25505
33 1 6 "Average Difference" C 8 0.970 0.559 0.848 25505
34 1 6 "Average Difference" CA 8 1.567 0.822 1.426 25505
35 1 6 "Average Difference" CB 8 1.295 -0.413 1.313 25505
36 1 6 "Average Difference" HN 8 0.643 -0.189 0.658 25505
37 1 7 "Average Difference" N 8 2.064 -1.668 1.300 25505
38 1 7 "Average Difference" HA 8 0.650 -0.034 0.694 25505
39 1 7 "Average Difference" C 8 1.135 0.886 0.758 25505
40 1 7 "Average Difference" CA 8 1.276 0.753 1.101 25505
41 1 7 "Average Difference" CB 8 1.246 -0.377 1.270 25505
42 1 7 "Average Difference" HN 8 0.663 -0.218 0.669 25505
43 1 8 "Average Difference" N 8 1.989 -1.515 1.378 25505
44 1 8 "Average Difference" HA 8 0.633 -0.126 0.663 25505
45 1 8 "Average Difference" C 8 1.094 0.846 0.741 25505
46 1 8 "Average Difference" CA 8 1.645 1.058 1.346 25505
47 1 8 "Average Difference" CB 8 1.238 -0.445 1.235 25505
48 1 8 "Average Difference" HN 8 0.581 -0.348 0.497 25505
49 1 9 "Average Difference" N 8 2.303 -1.602 1.769 25505
50 1 9 "Average Difference" HA 8 0.681 -0.234 0.684 25505
51 1 9 "Average Difference" C 8 0.715 0.553 0.485 25505
52 1 9 "Average Difference" CA 8 1.057 0.438 1.029 25505
53 1 9 "Average Difference" CB 8 1.254 -0.731 1.089 25505
54 1 9 "Average Difference" HN 8 0.826 -0.564 0.645 25505
55 1 10 "Average Difference" N 8 3.536 -2.046 3.083 25505
56 1 10 "Average Difference" HA 8 0.474 -0.143 0.483 25505
57 1 10 "Average Difference" C 8 0.937 0.483 0.858 25505
58 1 10 "Average Difference" CA 8 1.591 0.549 1.596 25505
59 1 10 "Average Difference" CB 8 1.168 -0.778 0.931 25505
60 1 10 "Average Difference" HN 8 0.963 -0.813 0.552 25505
61 1 11 "Average Difference" N 8 2.899 -1.759 2.463 25505
62 1 11 "Average Difference" HA 8 0.697 -0.132 0.731 25505
63 1 11 "Average Difference" C 8 1.081 0.476 1.037 25505
64 1 11 "Average Difference" CA 8 1.726 0.854 1.603 25505
65 1 11 "Average Difference" CB 8 1.495 -0.443 1.527 25505
66 1 11 "Average Difference" HN 8 0.702 -0.456 0.572 25505
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 25505
_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 1 187 187 TYR N N 187 120.720 120.720 117.555 3.165 25505
2 1 . 1 1 187 187 TYR HA H 187 4.340 4.340 4.299 0.041 25505
3 1 . 1 1 187 187 TYR C C 187 176.218 176.218 175.664 0.554 25505
4 1 . 1 1 187 187 TYR CA C 187 58.970 58.970 58.373 0.597 25505
5 1 . 1 1 187 187 TYR CB C 187 38.401 38.401 37.996 0.405 25505
6 1 . 1 1 187 187 TYR H H 187 8.100 8.100 7.581 0.519 25505
7 1 . 1 1 188 188 GLN N N 188 120.417 120.417 121.301 -0.884 25505
8 1 . 1 1 188 188 GLN HA H 188 3.910 3.910 3.483 0.427 25505
9 1 . 1 1 188 188 GLN C C 188 176.288 176.288 176.879 -0.591 25505
10 1 . 1 1 188 188 GLN CA C 188 56.782 56.782 57.793 -1.011 25505
11 1 . 1 1 188 188 GLN CB C 188 28.607 28.607 26.585 2.022 25505
12 1 . 1 1 188 188 GLN H H 188 8.170 8.170 7.952 0.218 25505
13 1 . 1 1 189 189 PHE N N 189 120.153 120.153 116.580 3.573 25505
14 1 . 1 1 189 189 PHE HA H 189 4.380 4.380 4.341 0.039 25505
15 1 . 1 1 189 189 PHE C C 189 176.196 176.196 176.718 -0.522 25505
16 1 . 1 1 189 189 PHE CA C 189 59.003 59.003 59.046 -0.043 25505
17 1 . 1 1 189 189 PHE CB C 189 39.110 39.110 37.601 1.509 25505
18 1 . 1 1 189 189 PHE H H 189 7.960 7.960 7.049 0.911 25505
19 1 . 1 1 190 190 TRP N N 190 121.072 121.072 119.078 1.994 25505
20 1 . 1 1 190 190 TRP HA H 190 4.500 4.500 4.873 -0.373 25505
21 1 . 1 1 190 190 TRP C C 190 176.298 176.298 177.514 -1.216 25505
22 1 . 1 1 190 190 TRP CA C 190 58.125 58.125 58.796 -0.671 25505
23 1 . 1 1 190 190 TRP CB C 190 29.268 29.268 30.712 -1.444 25505
24 1 . 1 1 190 190 TRP H H 190 7.880 7.880 7.955 -0.075 25505
25 1 . 1 1 191 191 LYS N N 191 121.958 121.958 121.297 0.661 25505
26 1 . 1 1 191 191 LYS HA H 191 3.950 3.950 3.939 0.011 25505
27 1 . 1 1 191 191 LYS C C 191 176.686 176.686 178.160 -1.474 25505
28 1 . 1 1 191 191 LYS CA C 191 57.206 57.206 59.458 -2.252 25505
29 1 . 1 1 191 191 LYS CB C 191 32.499 32.499 31.872 0.627 25505
30 1 . 1 1 191 191 LYS H H 191 7.970 7.970 7.191 0.779 25505
31 1 . 1 1 192 192 ASN N N 192 117.983 117.983 117.687 0.296 25505
32 1 . 1 1 192 192 ASN HA H 192 4.520 4.520 4.463 0.057 25505
33 1 . 1 1 192 192 ASN C C 192 176.762 176.762 176.431 0.331 25505
34 1 . 1 1 192 192 ASN CA C 192 53.752 53.752 55.474 -1.722 25505
35 1 . 1 1 192 192 ASN CB C 192 38.448 38.448 38.425 0.023 25505
36 1 . 1 1 192 192 ASN H H 192 8.070 8.070 8.263 -0.193 25505
37 1 . 1 1 193 193 PHE N N 193 120.529 120.529 116.732 3.797 25505
38 1 . 1 1 193 193 PHE HA H 193 4.500 4.500 4.817 -0.317 25505
39 1 . 1 1 193 193 PHE C C 193 175.348 175.348 176.648 -1.300 25505
40 1 . 1 1 193 193 PHE CA C 193 58.480 58.480 57.651 0.829 25505
41 1 . 1 1 193 193 PHE CB C 193 39.240 39.240 39.594 -0.354 25505
42 1 . 1 1 193 193 PHE H H 193 8.030 8.030 7.406 0.624 25505
43 1 . 1 1 194 194 GLN N N 194 120.689 120.689 119.490 1.199 25505
44 1 . 1 1 194 194 GLN HA H 194 4.250 4.250 3.041 1.209 25505
45 1 . 1 1 194 194 GLN C C 194 175.890 175.890 176.230 -0.340 25505
46 1 . 1 1 194 194 GLN CA C 194 56.257 56.257 57.392 -1.135 25505
47 1 . 1 1 194 194 GLN CB C 194 29.571 29.571 28.034 1.537 25505
48 1 . 1 1 194 194 GLN H H 194 8.190 8.190 7.404 0.786 25505
stop_
save_