data_19587
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19587
_Entry.PDB_ID 2MG6
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 19587
_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 5 5 ASP N N 5 122.687 122.687 126.037 -3.350 19587
2 1 1 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.867 0.213 19587
3 1 1 . 1 1 5 5 ASP CA C 5 51.056 51.056 53.399 -2.343 19587
4 1 1 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.296 -0.467 19587
5 1 1 . 1 1 5 5 ASP H H 5 7.814 7.814 8.562 -0.748 19587
6 1 1 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.395 0.020 19587
7 1 1 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.139 -0.638 19587
8 1 1 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.900 0.455 19587
9 1 1 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.422 -0.156 19587
10 1 1 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.360 -0.703 19587
11 1 1 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.176 -0.444 19587
12 1 1 . 1 1 7 7 ARG H H 7 8.321 8.321 7.921 0.400 19587
13 1 1 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.412 0.081 19587
14 1 1 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.570 -4.554 19587
15 1 1 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.608 15.124 19587
16 1 1 . 1 1 8 8 CYS H H 8 7.948 7.948 8.405 -0.457 19587
17 1 1 . 1 1 9 9 ASN N N 9 120.284 120.284 118.604 1.680 19587
18 1 1 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.458 0.103 19587
19 1 1 . 1 1 9 9 ASN CA C 9 53.789 53.789 57.059 -3.270 19587
20 1 1 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.884 -0.196 19587
21 1 1 . 1 1 9 9 ASN H H 9 8.460 8.460 8.567 -0.107 19587
22 1 1 . 1 1 10 10 TYR N N 10 119.061 119.061 115.489 3.572 19587
23 1 1 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.513 -0.118 19587
24 1 1 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.227 -1.512 19587
25 1 1 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.597 -0.189 19587
26 1 1 . 1 1 10 10 TYR H H 10 7.864 7.864 8.147 -0.283 19587
27 1 1 . 1 1 11 11 ASP N N 11 119.240 119.240 119.055 0.185 19587
28 1 1 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.628 -0.192 19587
29 1 1 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.973 -1.467 19587
30 1 1 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.296 -1.796 19587
31 1 1 . 1 1 11 11 ASP H H 11 8.120 8.120 7.818 0.302 19587
32 1 1 . 1 1 12 12 HIS N N 12 116.534 116.534 117.808 -1.274 19587
33 1 1 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.982 0.013 19587
34 1 1 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.922 -0.241 19587
35 1 1 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.262 -1.679 19587
36 1 1 . 1 1 12 12 HIS H H 12 8.023 8.023 8.869 -0.846 19587
37 1 1 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.415 0.045 19587
38 1 1 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.632 -0.475 19587
39 1 1 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.859 0.166 19587
40 1 1 . 1 1 14 14 GLU N N 14 120.668 120.668 117.698 2.970 19587
41 1 1 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.127 0.259 19587
42 1 1 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.712 -1.232 19587
43 1 1 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.481 0.126 19587
44 1 1 . 1 1 14 14 GLU H H 14 9.090 9.090 8.802 0.288 19587
45 1 2 . 1 1 5 5 ASP N N 5 122.687 122.687 126.074 -3.387 19587
46 1 2 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.934 0.146 19587
47 1 2 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.753 -1.697 19587
48 1 2 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.250 -0.421 19587
49 1 2 . 1 1 5 5 ASP H H 5 7.814 7.814 8.404 -0.590 19587
50 1 2 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.440 -0.025 19587
51 1 2 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.207 -0.706 19587
52 1 2 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.775 0.580 19587
53 1 2 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.302 -0.036 19587
54 1 2 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.814 -1.157 19587
55 1 2 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.154 -0.422 19587
56 1 2 . 1 1 7 7 ARG H H 7 8.321 8.321 8.096 0.225 19587
57 1 2 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.726 -0.234 19587
58 1 2 . 1 1 8 8 CYS CA C 8 57.016 57.016 59.592 -2.576 19587
59 1 2 . 1 1 8 8 CYS CB C 8 41.732 41.732 28.976 12.756 19587
60 1 2 . 1 1 8 8 CYS H H 8 7.948 7.948 8.359 -0.411 19587
61 1 2 . 1 1 9 9 ASN N N 9 120.284 120.284 119.212 1.072 19587
62 1 2 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.516 0.045 19587
63 1 2 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.913 -3.124 19587
64 1 2 . 1 1 9 9 ASN CB C 9 38.688 38.688 39.009 -0.321 19587
65 1 2 . 1 1 9 9 ASN H H 9 8.460 8.460 9.089 -0.629 19587
66 1 2 . 1 1 10 10 TYR N N 10 119.061 119.061 117.265 1.796 19587
67 1 2 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.497 -0.102 19587
68 1 2 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.495 -1.780 19587
69 1 2 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.569 -0.161 19587
70 1 2 . 1 1 10 10 TYR H H 10 7.864 7.864 7.911 -0.047 19587
71 1 2 . 1 1 11 11 ASP N N 11 119.240 119.240 118.362 0.878 19587
72 1 2 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.643 -0.207 19587
73 1 2 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.916 -1.410 19587
74 1 2 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.726 -1.226 19587
75 1 2 . 1 1 11 11 ASP H H 11 8.120 8.120 8.201 -0.081 19587
76 1 2 . 1 1 12 12 HIS N N 12 116.534 116.534 118.374 -1.840 19587
77 1 2 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.977 0.018 19587
78 1 2 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.686 -0.005 19587
79 1 2 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.882 -1.299 19587
80 1 2 . 1 1 12 12 HIS H H 12 8.023 8.023 8.704 -0.681 19587
81 1 2 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.398 0.062 19587
82 1 2 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.401 -0.244 19587
83 1 2 . 1 1 13 13 PRO CB C 13 32.025 32.025 32.151 -0.126 19587
84 1 2 . 1 1 14 14 GLU N N 14 120.668 120.668 118.775 1.893 19587
85 1 2 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.068 0.318 19587
86 1 2 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.846 -1.367 19587
87 1 2 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.286 0.321 19587
88 1 2 . 1 1 14 14 GLU H H 14 9.090 9.090 8.832 0.258 19587
89 1 3 . 1 1 5 5 ASP N N 5 122.687 122.687 125.611 -2.924 19587
90 1 3 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.111 -0.031 19587
91 1 3 . 1 1 5 5 ASP CA C 5 51.056 51.056 51.964 -0.908 19587
92 1 3 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.329 0.500 19587
93 1 3 . 1 1 5 5 ASP H H 5 7.814 7.814 7.637 0.177 19587
94 1 3 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.524 -0.109 19587
95 1 3 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.894 -0.393 19587
96 1 3 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.126 0.229 19587
97 1 3 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.183 0.083 19587
98 1 3 . 1 1 7 7 ARG CA C 7 56.657 56.657 58.540 -1.883 19587
99 1 3 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.392 0.340 19587
100 1 3 . 1 1 7 7 ARG H H 7 8.321 8.321 8.579 -0.258 19587
101 1 3 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.612 -0.119 19587
102 1 3 . 1 1 8 8 CYS CA C 8 57.016 57.016 60.362 -3.346 19587
103 1 3 . 1 1 8 8 CYS CB C 8 41.732 41.732 27.408 14.324 19587
104 1 3 . 1 1 8 8 CYS H H 8 7.948 7.948 8.697 -0.749 19587
105 1 3 . 1 1 9 9 ASN N N 9 120.284 120.284 120.169 0.115 19587
106 1 3 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.452 0.109 19587
107 1 3 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.331 -2.542 19587
108 1 3 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.540 0.148 19587
109 1 3 . 1 1 9 9 ASN H H 9 8.460 8.460 8.698 -0.238 19587
110 1 3 . 1 1 10 10 TYR N N 10 119.061 119.061 119.486 -0.425 19587
111 1 3 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.474 -0.079 19587
112 1 3 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.664 -1.950 19587
113 1 3 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.886 -0.478 19587
114 1 3 . 1 1 10 10 TYR H H 10 7.864 7.864 8.098 -0.234 19587
115 1 3 . 1 1 11 11 ASP N N 11 119.240 119.240 118.100 1.140 19587
116 1 3 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.383 0.053 19587
117 1 3 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.418 -1.912 19587
118 1 3 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.474 -1.974 19587
119 1 3 . 1 1 11 11 ASP H H 11 8.120 8.120 7.934 0.186 19587
120 1 3 . 1 1 12 12 HIS N N 12 116.534 116.534 117.816 -1.282 19587
121 1 3 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.960 0.035 19587
122 1 3 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.828 -0.146 19587
123 1 3 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.085 -1.502 19587
124 1 3 . 1 1 12 12 HIS H H 12 8.023 8.023 8.605 -0.582 19587
125 1 3 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.454 0.006 19587
126 1 3 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.429 -0.272 19587
127 1 3 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.912 0.114 19587
128 1 3 . 1 1 14 14 GLU N N 14 120.668 120.668 119.246 1.422 19587
129 1 3 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.089 0.297 19587
130 1 3 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.799 -1.319 19587
131 1 3 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.505 0.102 19587
132 1 3 . 1 1 14 14 GLU H H 14 9.090 9.090 8.695 0.395 19587
133 1 4 . 1 1 5 5 ASP N N 5 122.687 122.687 125.944 -3.257 19587
134 1 4 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.062 0.018 19587
135 1 4 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.218 -1.161 19587
136 1 4 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.958 -1.129 19587
137 1 4 . 1 1 5 5 ASP H H 5 7.814 7.814 8.207 -0.393 19587
138 1 4 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.361 0.054 19587
139 1 4 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.957 -0.456 19587
140 1 4 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.172 0.183 19587
141 1 4 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.362 -0.096 19587
142 1 4 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.746 -1.089 19587
143 1 4 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.015 -0.283 19587
144 1 4 . 1 1 7 7 ARG H H 7 8.321 8.321 8.400 -0.079 19587
145 1 4 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.309 0.184 19587
146 1 4 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.997 -5.981 19587
147 1 4 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.076 15.656 19587
148 1 4 . 1 1 8 8 CYS H H 8 7.948 7.948 8.196 -0.248 19587
149 1 4 . 1 1 9 9 ASN N N 9 120.284 120.284 117.349 2.935 19587
150 1 4 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.508 0.053 19587
151 1 4 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.384 -2.595 19587
152 1 4 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.316 0.372 19587
153 1 4 . 1 1 9 9 ASN H H 9 8.460 8.460 8.346 0.114 19587
154 1 4 . 1 1 10 10 TYR N N 10 119.061 119.061 117.817 1.244 19587
155 1 4 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.437 -0.042 19587
156 1 4 . 1 1 10 10 TYR CA C 10 58.715 58.715 61.036 -2.321 19587
157 1 4 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.680 -0.272 19587
158 1 4 . 1 1 10 10 TYR H H 10 7.864 7.864 8.582 -0.718 19587
159 1 4 . 1 1 11 11 ASP N N 11 119.240 119.240 118.536 0.704 19587
160 1 4 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.594 -0.158 19587
161 1 4 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.436 -1.930 19587
162 1 4 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.168 -1.668 19587
163 1 4 . 1 1 11 11 ASP H H 11 8.120 8.120 7.795 0.325 19587
164 1 4 . 1 1 12 12 HIS N N 12 116.534 116.534 117.519 -0.985 19587
165 1 4 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.931 0.064 19587
166 1 4 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.450 0.231 19587
167 1 4 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.087 -1.504 19587
168 1 4 . 1 1 12 12 HIS H H 12 8.023 8.023 8.606 -0.583 19587
169 1 4 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.362 0.098 19587
170 1 4 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.154 0.003 19587
171 1 4 . 1 1 13 13 PRO CB C 13 32.025 32.025 32.000 0.025 19587
172 1 4 . 1 1 14 14 GLU N N 14 120.668 120.668 118.360 2.308 19587
173 1 4 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.164 0.222 19587
174 1 4 . 1 1 14 14 GLU CA C 14 56.480 56.480 56.997 -0.517 19587
175 1 4 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.657 -0.050 19587
176 1 4 . 1 1 14 14 GLU H H 14 9.090 9.090 8.330 0.760 19587
177 1 5 . 1 1 5 5 ASP N N 5 122.687 122.687 124.856 -2.169 19587
178 1 5 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.892 0.188 19587
179 1 5 . 1 1 5 5 ASP CA C 5 51.056 51.056 53.401 -2.345 19587
180 1 5 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.580 0.249 19587
181 1 5 . 1 1 5 5 ASP H H 5 7.814 7.814 8.416 -0.602 19587
182 1 5 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.292 0.123 19587
183 1 5 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.092 -0.591 19587
184 1 5 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.853 0.502 19587
185 1 5 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.479 -0.213 19587
186 1 5 . 1 1 7 7 ARG CA C 7 56.657 56.657 58.165 -1.508 19587
187 1 5 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.381 -0.649 19587
188 1 5 . 1 1 7 7 ARG H H 7 8.321 8.321 8.005 0.316 19587
189 1 5 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.348 0.145 19587
190 1 5 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.033 -5.018 19587
191 1 5 . 1 1 8 8 CYS CB C 8 41.732 41.732 27.154 14.578 19587
192 1 5 . 1 1 8 8 CYS H H 8 7.948 7.948 8.130 -0.182 19587
193 1 5 . 1 1 9 9 ASN N N 9 120.284 120.284 119.184 1.100 19587
194 1 5 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.484 0.077 19587
195 1 5 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.056 -2.267 19587
196 1 5 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.842 -0.154 19587
197 1 5 . 1 1 9 9 ASN H H 9 8.460 8.460 8.952 -0.492 19587
198 1 5 . 1 1 10 10 TYR N N 10 119.061 119.061 117.601 1.460 19587
199 1 5 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.486 -0.091 19587
200 1 5 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.446 -1.731 19587
201 1 5 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.822 -0.414 19587
202 1 5 . 1 1 10 10 TYR H H 10 7.864 7.864 7.924 -0.060 19587
203 1 5 . 1 1 11 11 ASP N N 11 119.240 119.240 118.281 0.959 19587
204 1 5 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.188 0.248 19587
205 1 5 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.260 -0.754 19587
206 1 5 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.745 -1.245 19587
207 1 5 . 1 1 11 11 ASP H H 11 8.120 8.120 7.612 0.508 19587
208 1 5 . 1 1 12 12 HIS N N 12 116.534 116.534 118.616 -2.082 19587
209 1 5 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.913 0.082 19587
210 1 5 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.298 0.383 19587
211 1 5 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.735 -1.152 19587
212 1 5 . 1 1 12 12 HIS H H 12 8.023 8.023 8.874 -0.851 19587
213 1 5 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.346 0.114 19587
214 1 5 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.672 -0.515 19587
215 1 5 . 1 1 13 13 PRO CB C 13 32.025 32.025 32.008 0.017 19587
216 1 5 . 1 1 14 14 GLU N N 14 120.668 120.668 118.008 2.660 19587
217 1 5 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.124 0.262 19587
218 1 5 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.273 -0.793 19587
219 1 5 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.785 -0.178 19587
220 1 5 . 1 1 14 14 GLU H H 14 9.090 9.090 8.805 0.285 19587
221 1 6 . 1 1 5 5 ASP N N 5 122.687 122.687 126.894 -4.207 19587
222 1 6 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.869 0.211 19587
223 1 6 . 1 1 5 5 ASP CA C 5 51.056 51.056 53.751 -2.695 19587
224 1 6 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.507 0.322 19587
225 1 6 . 1 1 5 5 ASP H H 5 7.814 7.814 8.506 -0.692 19587
226 1 6 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.350 0.065 19587
227 1 6 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.222 -0.722 19587
228 1 6 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.757 0.598 19587
229 1 6 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.489 -0.224 19587
230 1 6 . 1 1 7 7 ARG CA C 7 56.657 56.657 55.962 0.695 19587
231 1 6 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.953 -0.221 19587
232 1 6 . 1 1 7 7 ARG H H 7 8.321 8.321 8.446 -0.125 19587
233 1 6 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.695 -0.202 19587
234 1 6 . 1 1 8 8 CYS CA C 8 57.016 57.016 59.511 -2.495 19587
235 1 6 . 1 1 8 8 CYS CB C 8 41.732 41.732 28.324 13.408 19587
236 1 6 . 1 1 8 8 CYS H H 8 7.948 7.948 8.524 -0.576 19587
237 1 6 . 1 1 9 9 ASN N N 9 120.284 120.284 119.516 0.768 19587
238 1 6 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.428 0.133 19587
239 1 6 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.671 -2.882 19587
240 1 6 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.775 -0.087 19587
241 1 6 . 1 1 9 9 ASN H H 9 8.460 8.460 9.057 -0.597 19587
242 1 6 . 1 1 10 10 TYR N N 10 119.061 119.061 115.056 4.005 19587
243 1 6 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.538 -0.143 19587
244 1 6 . 1 1 10 10 TYR CA C 10 58.715 58.715 59.980 -1.265 19587
245 1 6 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.535 -0.127 19587
246 1 6 . 1 1 10 10 TYR H H 10 7.864 7.864 8.278 -0.414 19587
247 1 6 . 1 1 11 11 ASP N N 11 119.240 119.240 119.003 0.237 19587
248 1 6 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.645 -0.209 19587
249 1 6 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.746 -1.240 19587
250 1 6 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.680 -1.180 19587
251 1 6 . 1 1 11 11 ASP H H 11 8.120 8.120 7.654 0.466 19587
252 1 6 . 1 1 12 12 HIS N N 12 116.534 116.534 117.757 -1.223 19587
253 1 6 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.923 0.072 19587
254 1 6 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.502 0.179 19587
255 1 6 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.351 -0.768 19587
256 1 6 . 1 1 12 12 HIS H H 12 8.023 8.023 8.753 -0.730 19587
257 1 6 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.331 0.129 19587
258 1 6 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.874 -0.717 19587
259 1 6 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.958 0.067 19587
260 1 6 . 1 1 14 14 GLU N N 14 120.668 120.668 117.353 3.315 19587
261 1 6 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.179 0.207 19587
262 1 6 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.192 -0.712 19587
263 1 6 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.569 0.038 19587
264 1 6 . 1 1 14 14 GLU H H 14 9.090 9.090 8.918 0.172 19587
265 1 7 . 1 1 5 5 ASP N N 5 122.687 122.687 125.200 -2.513 19587
266 1 7 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.988 0.092 19587
267 1 7 . 1 1 5 5 ASP CA C 5 51.056 51.056 51.965 -0.909 19587
268 1 7 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.256 -0.427 19587
269 1 7 . 1 1 5 5 ASP H H 5 7.814 7.814 8.126 -0.312 19587
270 1 7 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.407 0.008 19587
271 1 7 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.819 -0.318 19587
272 1 7 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.033 0.322 19587
273 1 7 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.531 -0.265 19587
274 1 7 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.584 -0.927 19587
275 1 7 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.219 -0.487 19587
276 1 7 . 1 1 7 7 ARG H H 7 8.321 8.321 8.405 -0.084 19587
277 1 7 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.376 0.117 19587
278 1 7 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.234 -5.218 19587
279 1 7 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.062 15.670 19587
280 1 7 . 1 1 8 8 CYS H H 8 7.948 7.948 7.769 0.179 19587
281 1 7 . 1 1 9 9 ASN N N 9 120.284 120.284 117.360 2.924 19587
282 1 7 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.530 0.031 19587
283 1 7 . 1 1 9 9 ASN CA C 9 53.789 53.789 55.704 -1.915 19587
284 1 7 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.397 0.291 19587
285 1 7 . 1 1 9 9 ASN H H 9 8.460 8.460 8.605 -0.145 19587
286 1 7 . 1 1 10 10 TYR N N 10 119.061 119.061 117.754 1.307 19587
287 1 7 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.466 -0.071 19587
288 1 7 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.863 -2.148 19587
289 1 7 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.876 -0.468 19587
290 1 7 . 1 1 10 10 TYR H H 10 7.864 7.864 8.490 -0.626 19587
291 1 7 . 1 1 11 11 ASP N N 11 119.240 119.240 118.752 0.488 19587
292 1 7 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.661 -0.225 19587
293 1 7 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.334 -1.828 19587
294 1 7 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.743 -2.243 19587
295 1 7 . 1 1 11 11 ASP H H 11 8.120 8.120 7.751 0.369 19587
296 1 7 . 1 1 12 12 HIS N N 12 116.534 116.534 118.094 -1.560 19587
297 1 7 . 1 1 12 12 HIS HA H 12 4.995 4.995 5.030 -0.035 19587
298 1 7 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.983 -0.302 19587
299 1 7 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.010 -1.427 19587
300 1 7 . 1 1 12 12 HIS H H 12 8.023 8.023 8.801 -0.778 19587
301 1 7 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.310 0.150 19587
302 1 7 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.186 -1.028 19587
303 1 7 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.685 0.340 19587
304 1 7 . 1 1 14 14 GLU N N 14 120.668 120.668 116.853 3.815 19587
305 1 7 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.131 0.255 19587
306 1 7 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.693 -1.213 19587
307 1 7 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.528 0.079 19587
308 1 7 . 1 1 14 14 GLU H H 14 9.090 9.090 8.827 0.263 19587
309 1 8 . 1 1 5 5 ASP N N 5 122.687 122.687 127.138 -4.451 19587
310 1 8 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.925 0.155 19587
311 1 8 . 1 1 5 5 ASP CA C 5 51.056 51.056 53.646 -2.590 19587
312 1 8 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.367 0.462 19587
313 1 8 . 1 1 5 5 ASP H H 5 7.814 7.814 8.192 -0.378 19587
314 1 8 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.252 0.163 19587
315 1 8 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.338 -0.837 19587
316 1 8 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.950 0.405 19587
317 1 8 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.372 -0.106 19587
318 1 8 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.984 -1.327 19587
319 1 8 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.581 0.151 19587
320 1 8 . 1 1 7 7 ARG H H 7 8.321 8.321 8.498 -0.177 19587
321 1 8 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.425 0.068 19587
322 1 8 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.523 -4.506 19587
323 1 8 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.572 15.160 19587
324 1 8 . 1 1 8 8 CYS H H 8 7.948 7.948 8.635 -0.687 19587
325 1 8 . 1 1 9 9 ASN N N 9 120.284 120.284 118.972 1.312 19587
326 1 8 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.360 0.201 19587
327 1 8 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.744 -2.955 19587
328 1 8 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.722 -0.034 19587
329 1 8 . 1 1 9 9 ASN H H 9 8.460 8.460 8.624 -0.164 19587
330 1 8 . 1 1 10 10 TYR N N 10 119.061 119.061 115.374 3.687 19587
331 1 8 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.494 -0.099 19587
332 1 8 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.474 -1.759 19587
333 1 8 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.670 -0.263 19587
334 1 8 . 1 1 10 10 TYR H H 10 7.864 7.864 7.999 -0.135 19587
335 1 8 . 1 1 11 11 ASP N N 11 119.240 119.240 119.356 -0.116 19587
336 1 8 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.597 -0.161 19587
337 1 8 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.464 -1.958 19587
338 1 8 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.915 -1.415 19587
339 1 8 . 1 1 11 11 ASP H H 11 8.120 8.120 7.880 0.240 19587
340 1 8 . 1 1 12 12 HIS N N 12 116.534 116.534 116.527 0.007 19587
341 1 8 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.922 0.073 19587
342 1 8 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.861 -0.180 19587
343 1 8 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.641 -1.058 19587
344 1 8 . 1 1 12 12 HIS H H 12 8.023 8.023 8.637 -0.614 19587
345 1 8 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.347 0.113 19587
346 1 8 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.290 -1.133 19587
347 1 8 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.770 0.255 19587
348 1 8 . 1 1 14 14 GLU N N 14 120.668 120.668 116.718 3.950 19587
349 1 8 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.158 0.228 19587
350 1 8 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.407 -0.927 19587
351 1 8 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.614 -0.007 19587
352 1 8 . 1 1 14 14 GLU H H 14 9.090 9.090 8.874 0.216 19587
353 1 9 . 1 1 5 5 ASP N N 5 122.687 122.687 124.612 -1.925 19587
354 1 9 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.084 -0.004 19587
355 1 9 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.252 -1.196 19587
356 1 9 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.719 -0.890 19587
357 1 9 . 1 1 5 5 ASP H H 5 7.814 7.814 8.062 -0.248 19587
358 1 9 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.233 0.182 19587
359 1 9 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.094 -0.593 19587
360 1 9 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.027 0.328 19587
361 1 9 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.248 0.018 19587
362 1 9 . 1 1 7 7 ARG CA C 7 56.657 56.657 58.946 -2.288 19587
363 1 9 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.695 0.037 19587
364 1 9 . 1 1 7 7 ARG H H 7 8.321 8.321 7.923 0.398 19587
365 1 9 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.513 -0.020 19587
366 1 9 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.212 -4.197 19587
367 1 9 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.930 14.802 19587
368 1 9 . 1 1 8 8 CYS H H 8 7.948 7.948 8.916 -0.968 19587
369 1 9 . 1 1 9 9 ASN N N 9 120.284 120.284 119.406 0.878 19587
370 1 9 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.496 0.065 19587
371 1 9 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.168 -2.379 19587
372 1 9 . 1 1 9 9 ASN CB C 9 38.688 38.688 37.996 0.692 19587
373 1 9 . 1 1 9 9 ASN H H 9 8.460 8.460 8.771 -0.311 19587
374 1 9 . 1 1 10 10 TYR N N 10 119.061 119.061 119.150 -0.089 19587
375 1 9 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.399 -0.004 19587
376 1 9 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.719 -2.004 19587
377 1 9 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.872 -0.464 19587
378 1 9 . 1 1 10 10 TYR H H 10 7.864 7.864 7.872 -0.008 19587
379 1 9 . 1 1 11 11 ASP N N 11 119.240 119.240 118.278 0.962 19587
380 1 9 . 1 1 11 11 ASP HA H 11 4.436 4.436 3.988 0.448 19587
381 1 9 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.368 -0.862 19587
382 1 9 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.632 -1.132 19587
383 1 9 . 1 1 11 11 ASP H H 11 8.120 8.120 7.645 0.475 19587
384 1 9 . 1 1 12 12 HIS N N 12 116.534 116.534 118.669 -2.135 19587
385 1 9 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.939 0.056 19587
386 1 9 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.873 -0.193 19587
387 1 9 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.637 -2.054 19587
388 1 9 . 1 1 12 12 HIS H H 12 8.023 8.023 8.706 -0.683 19587
389 1 9 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.471 -0.011 19587
390 1 9 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.503 -0.346 19587
391 1 9 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.913 0.112 19587
392 1 9 . 1 1 14 14 GLU N N 14 120.668 120.668 117.589 3.079 19587
393 1 9 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.161 0.225 19587
394 1 9 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.438 -0.958 19587
395 1 9 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.601 0.006 19587
396 1 9 . 1 1 14 14 GLU H H 14 9.090 9.090 8.747 0.343 19587
397 1 10 . 1 1 5 5 ASP N N 5 122.687 122.687 126.223 -3.536 19587
398 1 10 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.165 -0.085 19587
399 1 10 . 1 1 5 5 ASP CA C 5 51.056 51.056 51.733 -0.677 19587
400 1 10 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.357 -0.528 19587
401 1 10 . 1 1 5 5 ASP H H 5 7.814 7.814 7.935 -0.121 19587
402 1 10 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.536 -0.121 19587
403 1 10 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.739 -0.238 19587
404 1 10 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.162 0.193 19587
405 1 10 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.265 0.001 19587
406 1 10 . 1 1 7 7 ARG CA C 7 56.657 56.657 59.578 -2.921 19587
407 1 10 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.076 -0.344 19587
408 1 10 . 1 1 7 7 ARG H H 7 8.321 8.321 9.049 -0.728 19587
409 1 10 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.355 0.138 19587
410 1 10 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.871 -4.855 19587
411 1 10 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.658 15.074 19587
412 1 10 . 1 1 8 8 CYS H H 8 7.948 7.948 8.370 -0.422 19587
413 1 10 . 1 1 9 9 ASN N N 9 120.284 120.284 119.266 1.018 19587
414 1 10 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.484 0.077 19587
415 1 10 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.172 -2.383 19587
416 1 10 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.346 0.342 19587
417 1 10 . 1 1 9 9 ASN H H 9 8.460 8.460 8.715 -0.255 19587
418 1 10 . 1 1 10 10 TYR N N 10 119.061 119.061 119.847 -0.786 19587
419 1 10 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.478 -0.083 19587
420 1 10 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.770 -2.055 19587
421 1 10 . 1 1 10 10 TYR CB C 10 38.408 38.408 39.038 -0.630 19587
422 1 10 . 1 1 10 10 TYR H H 10 7.864 7.864 7.864 -0.000 19587
423 1 10 . 1 1 11 11 ASP N N 11 119.240 119.240 118.454 0.786 19587
424 1 10 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.264 0.172 19587
425 1 10 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.635 -1.129 19587
426 1 10 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.143 -1.643 19587
427 1 10 . 1 1 11 11 ASP H H 11 8.120 8.120 8.094 0.026 19587
428 1 10 . 1 1 12 12 HIS N N 12 116.534 116.534 118.167 -1.633 19587
429 1 10 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.958 0.037 19587
430 1 10 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.754 -0.073 19587
431 1 10 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.420 -0.837 19587
432 1 10 . 1 1 12 12 HIS H H 12 8.023 8.023 8.522 -0.499 19587
433 1 10 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.351 0.109 19587
434 1 10 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.435 -1.278 19587
435 1 10 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.726 0.299 19587
436 1 10 . 1 1 14 14 GLU N N 14 120.668 120.668 117.194 3.474 19587
437 1 10 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.056 0.330 19587
438 1 10 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.962 -1.482 19587
439 1 10 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.119 0.488 19587
440 1 10 . 1 1 14 14 GLU H H 14 9.090 9.090 8.888 0.202 19587
441 1 11 . 1 1 5 5 ASP N N 5 122.687 122.687 126.058 -3.371 19587
442 1 11 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.005 0.075 19587
443 1 11 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.090 -1.034 19587
444 1 11 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.806 0.023 19587
445 1 11 . 1 1 5 5 ASP H H 5 7.814 7.814 8.451 -0.637 19587
446 1 11 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.523 -0.108 19587
447 1 11 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.818 -0.317 19587
448 1 11 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.068 0.287 19587
449 1 11 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.320 -0.054 19587
450 1 11 . 1 1 7 7 ARG CA C 7 56.657 56.657 58.861 -2.204 19587
451 1 11 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.578 -0.846 19587
452 1 11 . 1 1 7 7 ARG H H 7 8.321 8.321 8.930 -0.609 19587
453 1 11 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.505 -0.012 19587
454 1 11 . 1 1 8 8 CYS CA C 8 57.016 57.016 60.888 -3.872 19587
455 1 11 . 1 1 8 8 CYS CB C 8 41.732 41.732 27.203 14.529 19587
456 1 11 . 1 1 8 8 CYS H H 8 7.948 7.948 8.517 -0.569 19587
457 1 11 . 1 1 9 9 ASN N N 9 120.284 120.284 119.452 0.832 19587
458 1 11 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.473 0.088 19587
459 1 11 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.490 -2.701 19587
460 1 11 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.707 -0.019 19587
461 1 11 . 1 1 9 9 ASN H H 9 8.460 8.460 9.092 -0.632 19587
462 1 11 . 1 1 10 10 TYR N N 10 119.061 119.061 118.274 0.787 19587
463 1 11 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.532 -0.137 19587
464 1 11 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.247 -1.532 19587
465 1 11 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.834 -0.426 19587
466 1 11 . 1 1 10 10 TYR H H 10 7.864 7.864 7.704 0.160 19587
467 1 11 . 1 1 11 11 ASP N N 11 119.240 119.240 119.097 0.143 19587
468 1 11 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.297 0.139 19587
469 1 11 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.697 -1.191 19587
470 1 11 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.831 -1.331 19587
471 1 11 . 1 1 11 11 ASP H H 11 8.120 8.120 7.899 0.221 19587
472 1 11 . 1 1 12 12 HIS N N 12 116.534 116.534 118.129 -1.595 19587
473 1 11 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.967 0.028 19587
474 1 11 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.595 0.086 19587
475 1 11 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.684 -1.101 19587
476 1 11 . 1 1 12 12 HIS H H 12 8.023 8.023 8.299 -0.276 19587
477 1 11 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.239 0.221 19587
478 1 11 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.422 -1.265 19587
479 1 11 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.945 0.080 19587
480 1 11 . 1 1 14 14 GLU N N 14 120.668 120.668 116.573 4.095 19587
481 1 11 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.227 0.159 19587
482 1 11 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.308 -0.828 19587
483 1 11 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.812 -0.205 19587
484 1 11 . 1 1 14 14 GLU H H 14 9.090 9.090 8.788 0.302 19587
485 1 12 . 1 1 5 5 ASP N N 5 122.687 122.687 125.680 -2.993 19587
486 1 12 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.048 0.032 19587
487 1 12 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.167 -1.111 19587
488 1 12 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.905 -0.076 19587
489 1 12 . 1 1 5 5 ASP H H 5 7.814 7.814 8.473 -0.659 19587
490 1 12 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.499 -0.084 19587
491 1 12 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.060 -0.559 19587
492 1 12 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.790 0.565 19587
493 1 12 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.421 -0.155 19587
494 1 12 . 1 1 7 7 ARG CA C 7 56.657 56.657 56.929 -0.272 19587
495 1 12 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.347 -0.615 19587
496 1 12 . 1 1 7 7 ARG H H 7 8.321 8.321 8.152 0.169 19587
497 1 12 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.645 -0.152 19587
498 1 12 . 1 1 8 8 CYS CA C 8 57.016 57.016 60.221 -3.205 19587
499 1 12 . 1 1 8 8 CYS CB C 8 41.732 41.732 29.091 12.641 19587
500 1 12 . 1 1 8 8 CYS H H 8 7.948 7.948 8.457 -0.509 19587
501 1 12 . 1 1 9 9 ASN N N 9 120.284 120.284 119.672 0.612 19587
502 1 12 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.417 0.144 19587
503 1 12 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.452 -2.663 19587
504 1 12 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.757 -0.069 19587
505 1 12 . 1 1 9 9 ASN H H 9 8.460 8.460 9.006 -0.546 19587
506 1 12 . 1 1 10 10 TYR N N 10 119.061 119.061 116.022 3.039 19587
507 1 12 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.437 -0.042 19587
508 1 12 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.248 -1.533 19587
509 1 12 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.479 -0.071 19587
510 1 12 . 1 1 10 10 TYR H H 10 7.864 7.864 8.200 -0.336 19587
511 1 12 . 1 1 11 11 ASP N N 11 119.240 119.240 117.751 1.489 19587
512 1 12 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.571 -0.135 19587
513 1 12 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.154 -1.647 19587
514 1 12 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.034 -0.534 19587
515 1 12 . 1 1 11 11 ASP H H 11 8.120 8.120 8.473 -0.353 19587
516 1 12 . 1 1 12 12 HIS N N 12 116.534 116.534 117.577 -1.043 19587
517 1 12 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.958 0.037 19587
518 1 12 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.748 -0.067 19587
519 1 12 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.849 -1.266 19587
520 1 12 . 1 1 12 12 HIS H H 12 8.023 8.023 7.824 0.199 19587
521 1 12 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.216 0.244 19587
522 1 12 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.271 -1.114 19587
523 1 12 . 1 1 13 13 PRO CB C 13 32.025 32.025 32.039 -0.014 19587
524 1 12 . 1 1 14 14 GLU N N 14 120.668 120.668 116.899 3.769 19587
525 1 12 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.180 0.206 19587
526 1 12 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.614 -1.134 19587
527 1 12 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.820 -0.213 19587
528 1 12 . 1 1 14 14 GLU H H 14 9.090 9.090 8.826 0.264 19587
529 1 13 . 1 1 5 5 ASP N N 5 122.687 122.687 125.950 -3.263 19587
530 1 13 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.967 0.113 19587
531 1 13 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.273 -1.217 19587
532 1 13 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.846 -0.017 19587
533 1 13 . 1 1 5 5 ASP H H 5 7.814 7.814 8.212 -0.398 19587
534 1 13 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.385 0.030 19587
535 1 13 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.029 -0.528 19587
536 1 13 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.009 0.346 19587
537 1 13 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.603 -0.337 19587
538 1 13 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.373 -0.716 19587
539 1 13 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.557 -0.825 19587
540 1 13 . 1 1 7 7 ARG H H 7 8.321 8.321 7.880 0.441 19587
541 1 13 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.681 -0.188 19587
542 1 13 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.345 -4.329 19587
543 1 13 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.289 15.443 19587
544 1 13 . 1 1 8 8 CYS H H 8 7.948 7.948 7.835 0.113 19587
545 1 13 . 1 1 9 9 ASN N N 9 120.284 120.284 117.745 2.539 19587
546 1 13 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.426 0.135 19587
547 1 13 . 1 1 9 9 ASN CA C 9 53.789 53.789 55.914 -2.125 19587
548 1 13 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.341 0.347 19587
549 1 13 . 1 1 9 9 ASN H H 9 8.460 8.460 8.179 0.281 19587
550 1 13 . 1 1 10 10 TYR N N 10 119.061 119.061 116.886 2.175 19587
551 1 13 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.526 -0.131 19587
552 1 13 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.249 -1.534 19587
553 1 13 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.835 -0.427 19587
554 1 13 . 1 1 10 10 TYR H H 10 7.864 7.864 7.640 0.224 19587
555 1 13 . 1 1 11 11 ASP N N 11 119.240 119.240 119.513 -0.273 19587
556 1 13 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.449 -0.013 19587
557 1 13 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.712 -2.206 19587
558 1 13 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.705 -1.205 19587
559 1 13 . 1 1 11 11 ASP H H 11 8.120 8.120 7.747 0.373 19587
560 1 13 . 1 1 12 12 HIS N N 12 116.534 116.534 117.214 -0.680 19587
561 1 13 . 1 1 12 12 HIS HA H 12 4.995 4.995 5.060 -0.065 19587
562 1 13 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.166 0.515 19587
563 1 13 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.460 -1.877 19587
564 1 13 . 1 1 12 12 HIS H H 12 8.023 8.023 8.153 -0.130 19587
565 1 13 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.296 0.164 19587
566 1 13 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.894 -0.737 19587
567 1 13 . 1 1 13 13 PRO CB C 13 32.025 32.025 32.266 -0.241 19587
568 1 13 . 1 1 14 14 GLU N N 14 120.668 120.668 116.868 3.800 19587
569 1 13 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.189 0.197 19587
570 1 13 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.188 -0.708 19587
571 1 13 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.622 -0.015 19587
572 1 13 . 1 1 14 14 GLU H H 14 9.090 9.090 8.850 0.240 19587
573 1 14 . 1 1 5 5 ASP N N 5 122.687 122.687 125.641 -2.954 19587
574 1 14 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.032 0.048 19587
575 1 14 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.122 -1.066 19587
576 1 14 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.036 -0.207 19587
577 1 14 . 1 1 5 5 ASP H H 5 7.814 7.814 8.005 -0.191 19587
578 1 14 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.306 0.109 19587
579 1 14 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.763 -0.262 19587
580 1 14 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.977 0.378 19587
581 1 14 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.546 -0.280 19587
582 1 14 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.740 -1.083 19587
583 1 14 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.991 -1.259 19587
584 1 14 . 1 1 7 7 ARG H H 7 8.321 8.321 9.207 -0.886 19587
585 1 14 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.296 0.197 19587
586 1 14 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.432 -5.416 19587
587 1 14 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.125 15.607 19587
588 1 14 . 1 1 8 8 CYS H H 8 7.948 7.948 8.605 -0.657 19587
589 1 14 . 1 1 9 9 ASN N N 9 120.284 120.284 118.070 2.214 19587
590 1 14 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.374 0.187 19587
591 1 14 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.497 -2.708 19587
592 1 14 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.610 0.078 19587
593 1 14 . 1 1 9 9 ASN H H 9 8.460 8.460 8.266 0.194 19587
594 1 14 . 1 1 10 10 TYR N N 10 119.061 119.061 115.952 3.109 19587
595 1 14 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.533 -0.138 19587
596 1 14 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.322 -1.607 19587
597 1 14 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.910 -0.502 19587
598 1 14 . 1 1 10 10 TYR H H 10 7.864 7.864 7.823 0.041 19587
599 1 14 . 1 1 11 11 ASP N N 11 119.240 119.240 119.672 -0.432 19587
600 1 14 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.606 -0.170 19587
601 1 14 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.318 -1.812 19587
602 1 14 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.467 -1.967 19587
603 1 14 . 1 1 11 11 ASP H H 11 8.120 8.120 8.035 0.085 19587
604 1 14 . 1 1 12 12 HIS N N 12 116.534 116.534 117.951 -1.417 19587
605 1 14 . 1 1 12 12 HIS HA H 12 4.995 4.995 5.016 -0.021 19587
606 1 14 . 1 1 12 12 HIS CA C 12 53.681 53.681 54.138 -0.457 19587
607 1 14 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.194 -1.611 19587
608 1 14 . 1 1 12 12 HIS H H 12 8.023 8.023 8.786 -0.763 19587
609 1 14 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.267 0.193 19587
610 1 14 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.573 -1.416 19587
611 1 14 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.838 0.187 19587
612 1 14 . 1 1 14 14 GLU N N 14 120.668 120.668 117.101 3.567 19587
613 1 14 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.131 0.255 19587
614 1 14 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.850 -1.370 19587
615 1 14 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.707 -0.100 19587
616 1 14 . 1 1 14 14 GLU H H 14 9.090 9.090 8.705 0.385 19587
617 1 15 . 1 1 5 5 ASP N N 5 122.687 122.687 125.743 -3.056 19587
618 1 15 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.081 -0.001 19587
619 1 15 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.078 -1.022 19587
620 1 15 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.436 -0.607 19587
621 1 15 . 1 1 5 5 ASP H H 5 7.814 7.814 8.364 -0.550 19587
622 1 15 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.266 0.149 19587
623 1 15 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.965 -0.464 19587
624 1 15 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.981 0.374 19587
625 1 15 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.218 0.048 19587
626 1 15 . 1 1 7 7 ARG CA C 7 56.657 56.657 59.557 -2.900 19587
627 1 15 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.123 -0.391 19587
628 1 15 . 1 1 7 7 ARG H H 7 8.321 8.321 8.010 0.311 19587
629 1 15 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.359 0.134 19587
630 1 15 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.019 -5.003 19587
631 1 15 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.433 15.299 19587
632 1 15 . 1 1 8 8 CYS H H 8 7.948 7.948 8.416 -0.468 19587
633 1 15 . 1 1 9 9 ASN N N 9 120.284 120.284 118.882 1.402 19587
634 1 15 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.509 0.052 19587
635 1 15 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.459 -2.670 19587
636 1 15 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.661 0.027 19587
637 1 15 . 1 1 9 9 ASN H H 9 8.460 8.460 8.654 -0.194 19587
638 1 15 . 1 1 10 10 TYR N N 10 119.061 119.061 118.253 0.808 19587
639 1 15 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.549 -0.154 19587
640 1 15 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.398 -1.683 19587
641 1 15 . 1 1 10 10 TYR CB C 10 38.408 38.408 39.275 -0.867 19587
642 1 15 . 1 1 10 10 TYR H H 10 7.864 7.864 7.638 0.226 19587
643 1 15 . 1 1 11 11 ASP N N 11 119.240 119.240 118.977 0.263 19587
644 1 15 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.168 0.268 19587
645 1 15 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.183 -1.677 19587
646 1 15 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.347 -1.847 19587
647 1 15 . 1 1 11 11 ASP H H 11 8.120 8.120 7.895 0.225 19587
648 1 15 . 1 1 12 12 HIS N N 12 116.534 116.534 117.835 -1.301 19587
649 1 15 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.945 0.050 19587
650 1 15 . 1 1 12 12 HIS CA C 12 53.681 53.681 54.066 -0.386 19587
651 1 15 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.210 -1.627 19587
652 1 15 . 1 1 12 12 HIS H H 12 8.023 8.023 8.727 -0.704 19587
653 1 15 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.335 0.125 19587
654 1 15 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.457 -1.300 19587
655 1 15 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.785 0.240 19587
656 1 15 . 1 1 14 14 GLU N N 14 120.668 120.668 117.052 3.616 19587
657 1 15 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.081 0.305 19587
658 1 15 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.949 -1.469 19587
659 1 15 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.544 0.063 19587
660 1 15 . 1 1 14 14 GLU H H 14 9.090 9.090 8.860 0.230 19587
661 1 16 . 1 1 5 5 ASP N N 5 122.687 122.687 125.881 -3.194 19587
662 1 16 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.082 -0.003 19587
663 1 16 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.074 -1.018 19587
664 1 16 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.458 0.371 19587
665 1 16 . 1 1 5 5 ASP H H 5 7.814 7.814 7.910 -0.096 19587
666 1 16 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.347 0.068 19587
667 1 16 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.910 -0.409 19587
668 1 16 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.809 0.546 19587
669 1 16 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.282 -0.016 19587
670 1 16 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.862 -1.206 19587
671 1 16 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.535 0.197 19587
672 1 16 . 1 1 7 7 ARG H H 7 8.321 8.321 8.380 -0.059 19587
673 1 16 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.519 -0.026 19587
674 1 16 . 1 1 8 8 CYS CA C 8 57.016 57.016 60.194 -3.178 19587
675 1 16 . 1 1 8 8 CYS CB C 8 41.732 41.732 27.992 13.740 19587
676 1 16 . 1 1 8 8 CYS H H 8 7.948 7.948 8.571 -0.623 19587
677 1 16 . 1 1 9 9 ASN N N 9 120.284 120.284 119.082 1.202 19587
678 1 16 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.456 0.105 19587
679 1 16 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.739 -2.950 19587
680 1 16 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.858 -0.170 19587
681 1 16 . 1 1 9 9 ASN H H 9 8.460 8.460 8.888 -0.428 19587
682 1 16 . 1 1 10 10 TYR N N 10 119.061 119.061 116.933 2.128 19587
683 1 16 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.545 -0.150 19587
684 1 16 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.135 -1.420 19587
685 1 16 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.526 -0.118 19587
686 1 16 . 1 1 10 10 TYR H H 10 7.864 7.864 7.874 -0.010 19587
687 1 16 . 1 1 11 11 ASP N N 11 119.240 119.240 119.259 -0.019 19587
688 1 16 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.557 -0.121 19587
689 1 16 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.574 -2.068 19587
690 1 16 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.672 -1.172 19587
691 1 16 . 1 1 11 11 ASP H H 11 8.120 8.120 8.030 0.090 19587
692 1 16 . 1 1 12 12 HIS N N 12 116.534 116.534 117.558 -1.024 19587
693 1 16 . 1 1 12 12 HIS HA H 12 4.995 4.995 5.010 -0.015 19587
694 1 16 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.862 -0.181 19587
695 1 16 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.179 -1.596 19587
696 1 16 . 1 1 12 12 HIS H H 12 8.023 8.023 8.472 -0.449 19587
697 1 16 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.351 0.109 19587
698 1 16 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.175 -1.018 19587
699 1 16 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.890 0.135 19587
700 1 16 . 1 1 14 14 GLU N N 14 120.668 120.668 116.788 3.880 19587
701 1 16 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.169 0.217 19587
702 1 16 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.401 -0.922 19587
703 1 16 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.928 -0.321 19587
704 1 16 . 1 1 14 14 GLU H H 14 9.090 9.090 8.820 0.270 19587
705 1 17 . 1 1 5 5 ASP N N 5 122.687 122.687 125.226 -2.539 19587
706 1 17 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.079 0.001 19587
707 1 17 . 1 1 5 5 ASP CA C 5 51.056 51.056 51.839 -0.783 19587
708 1 17 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.868 -1.040 19587
709 1 17 . 1 1 5 5 ASP H H 5 7.814 7.814 8.138 -0.324 19587
710 1 17 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.351 0.064 19587
711 1 17 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.764 -0.263 19587
712 1 17 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.013 0.342 19587
713 1 17 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.405 -0.139 19587
714 1 17 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.289 -0.632 19587
715 1 17 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.176 -0.444 19587
716 1 17 . 1 1 7 7 ARG H H 7 8.321 8.321 8.685 -0.364 19587
717 1 17 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.301 0.192 19587
718 1 17 . 1 1 8 8 CYS CA C 8 57.016 57.016 63.123 -6.107 19587
719 1 17 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.117 15.615 19587
720 1 17 . 1 1 8 8 CYS H H 8 7.948 7.948 8.148 -0.200 19587
721 1 17 . 1 1 9 9 ASN N N 9 120.284 120.284 117.672 2.612 19587
722 1 17 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.469 0.092 19587
723 1 17 . 1 1 9 9 ASN CA C 9 53.789 53.789 55.872 -2.083 19587
724 1 17 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.498 0.190 19587
725 1 17 . 1 1 9 9 ASN H H 9 8.460 8.460 8.188 0.272 19587
726 1 17 . 1 1 10 10 TYR N N 10 119.061 119.061 116.597 2.464 19587
727 1 17 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.527 -0.132 19587
728 1 17 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.810 -2.095 19587
729 1 17 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.675 -0.267 19587
730 1 17 . 1 1 10 10 TYR H H 10 7.864 7.864 8.390 -0.526 19587
731 1 17 . 1 1 11 11 ASP N N 11 119.240 119.240 118.600 0.640 19587
732 1 17 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.656 -0.220 19587
733 1 17 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.852 -1.346 19587
734 1 17 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.346 -1.847 19587
735 1 17 . 1 1 11 11 ASP H H 11 8.120 8.120 7.820 0.300 19587
736 1 17 . 1 1 12 12 HIS N N 12 116.534 116.534 117.538 -1.004 19587
737 1 17 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.980 0.015 19587
738 1 17 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.639 0.042 19587
739 1 17 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.280 -0.697 19587
740 1 17 . 1 1 12 12 HIS H H 12 8.023 8.023 8.702 -0.679 19587
741 1 17 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.347 0.113 19587
742 1 17 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.280 -1.123 19587
743 1 17 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.926 0.099 19587
744 1 17 . 1 1 14 14 GLU N N 14 120.668 120.668 116.782 3.886 19587
745 1 17 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.148 0.238 19587
746 1 17 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.766 -1.286 19587
747 1 17 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.460 0.147 19587
748 1 17 . 1 1 14 14 GLU H H 14 9.090 9.090 8.915 0.175 19587
749 1 18 . 1 1 5 5 ASP N N 5 122.687 122.687 126.306 -3.619 19587
750 1 18 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.864 0.216 19587
751 1 18 . 1 1 5 5 ASP CA C 5 51.056 51.056 53.056 -2.000 19587
752 1 18 . 1 1 5 5 ASP CB C 5 42.829 42.829 42.514 0.315 19587
753 1 18 . 1 1 5 5 ASP H H 5 7.814 7.814 8.334 -0.520 19587
754 1 18 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.313 0.102 19587
755 1 18 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.004 -0.503 19587
756 1 18 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.811 0.544 19587
757 1 18 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.429 -0.163 19587
758 1 18 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.945 -1.288 19587
759 1 18 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.753 -1.021 19587
760 1 18 . 1 1 7 7 ARG H H 7 8.321 8.321 7.839 0.482 19587
761 1 18 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.402 0.091 19587
762 1 18 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.260 -5.244 19587
763 1 18 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.555 15.177 19587
764 1 18 . 1 1 8 8 CYS H H 8 7.948 7.948 8.445 -0.497 19587
765 1 18 . 1 1 9 9 ASN N N 9 120.284 120.284 118.252 2.032 19587
766 1 18 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.457 0.104 19587
767 1 18 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.785 -2.996 19587
768 1 18 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.778 -0.090 19587
769 1 18 . 1 1 9 9 ASN H H 9 8.460 8.460 8.378 0.082 19587
770 1 18 . 1 1 10 10 TYR N N 10 119.061 119.061 115.817 3.244 19587
771 1 18 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.545 -0.150 19587
772 1 18 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.130 -1.415 19587
773 1 18 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.785 -0.377 19587
774 1 18 . 1 1 10 10 TYR H H 10 7.864 7.864 7.630 0.234 19587
775 1 18 . 1 1 11 11 ASP N N 11 119.240 119.240 119.285 -0.045 19587
776 1 18 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.628 -0.192 19587
777 1 18 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.028 -1.522 19587
778 1 18 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.415 -1.915 19587
779 1 18 . 1 1 11 11 ASP H H 11 8.120 8.120 7.748 0.372 19587
780 1 18 . 1 1 12 12 HIS N N 12 116.534 116.534 117.931 -1.397 19587
781 1 18 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.961 0.034 19587
782 1 18 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.676 0.005 19587
783 1 18 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.955 -1.372 19587
784 1 18 . 1 1 12 12 HIS H H 12 8.023 8.023 8.751 -0.728 19587
785 1 18 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.383 0.076 19587
786 1 18 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.422 -0.265 19587
787 1 18 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.969 0.056 19587
788 1 18 . 1 1 14 14 GLU N N 14 120.668 120.668 118.993 1.675 19587
789 1 18 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.135 0.251 19587
790 1 18 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.387 -0.907 19587
791 1 18 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.380 0.227 19587
792 1 18 . 1 1 14 14 GLU H H 14 9.090 9.090 8.714 0.376 19587
793 1 19 . 1 1 5 5 ASP N N 5 122.687 122.687 125.834 -3.147 19587
794 1 19 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.071 0.010 19587
795 1 19 . 1 1 5 5 ASP CA C 5 51.056 51.056 51.919 -0.863 19587
796 1 19 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.102 -0.273 19587
797 1 19 . 1 1 5 5 ASP H H 5 7.814 7.814 7.902 -0.088 19587
798 1 19 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.469 -0.054 19587
799 1 19 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.588 -0.087 19587
800 1 19 . 1 1 6 6 PRO CB C 6 32.355 32.355 32.120 0.235 19587
801 1 19 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.471 -0.205 19587
802 1 19 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.699 -1.042 19587
803 1 19 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.922 -0.190 19587
804 1 19 . 1 1 7 7 ARG H H 7 8.321 8.321 8.166 0.155 19587
805 1 19 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.305 0.188 19587
806 1 19 . 1 1 8 8 CYS CA C 8 57.016 57.016 62.257 -5.241 19587
807 1 19 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.772 14.960 19587
808 1 19 . 1 1 8 8 CYS H H 8 7.948 7.948 8.860 -0.912 19587
809 1 19 . 1 1 9 9 ASN N N 9 120.284 120.284 118.871 1.413 19587
810 1 19 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.429 0.132 19587
811 1 19 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.348 -2.559 19587
812 1 19 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.165 0.523 19587
813 1 19 . 1 1 9 9 ASN H H 9 8.460 8.460 8.183 0.277 19587
814 1 19 . 1 1 10 10 TYR N N 10 119.061 119.061 118.733 0.328 19587
815 1 19 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.543 -0.148 19587
816 1 19 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.393 -1.678 19587
817 1 19 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.621 -0.213 19587
818 1 19 . 1 1 10 10 TYR H H 10 7.864 7.864 7.871 -0.007 19587
819 1 19 . 1 1 11 11 ASP N N 11 119.240 119.240 118.716 0.524 19587
820 1 19 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.225 0.211 19587
821 1 19 . 1 1 11 11 ASP CA C 11 54.506 54.506 55.821 -1.315 19587
822 1 19 . 1 1 11 11 ASP CB C 11 40.500 40.500 41.880 -1.380 19587
823 1 19 . 1 1 11 11 ASP H H 11 8.120 8.120 7.672 0.448 19587
824 1 19 . 1 1 12 12 HIS N N 12 116.534 116.534 117.845 -1.311 19587
825 1 19 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.977 0.018 19587
826 1 19 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.762 -0.081 19587
827 1 19 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.949 -1.366 19587
828 1 19 . 1 1 12 12 HIS H H 12 8.023 8.023 8.718 -0.695 19587
829 1 19 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.350 0.110 19587
830 1 19 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.172 -1.015 19587
831 1 19 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.722 0.303 19587
832 1 19 . 1 1 14 14 GLU N N 14 120.668 120.668 116.964 3.704 19587
833 1 19 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.104 0.282 19587
834 1 19 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.900 -1.420 19587
835 1 19 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.608 -0.000 19587
836 1 19 . 1 1 14 14 GLU H H 14 9.090 9.090 8.663 0.427 19587
837 1 20 . 1 1 5 5 ASP N N 5 122.687 122.687 126.798 -4.111 19587
838 1 20 . 1 1 5 5 ASP HA H 5 5.080 5.080 4.971 0.109 19587
839 1 20 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.754 -1.698 19587
840 1 20 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.054 -0.225 19587
841 1 20 . 1 1 5 5 ASP H H 5 7.814 7.814 7.951 -0.137 19587
842 1 20 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.177 0.238 19587
843 1 20 . 1 1 6 6 PRO CA C 6 64.501 64.501 65.027 -0.526 19587
844 1 20 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.907 0.448 19587
845 1 20 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.430 -0.164 19587
846 1 20 . 1 1 7 7 ARG CA C 7 56.657 56.657 58.768 -2.111 19587
847 1 20 . 1 1 7 7 ARG CB C 7 29.732 29.732 29.753 -0.021 19587
848 1 20 . 1 1 7 7 ARG H H 7 8.321 8.321 8.116 0.205 19587
849 1 20 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.306 0.187 19587
850 1 20 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.721 -4.705 19587
851 1 20 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.173 15.559 19587
852 1 20 . 1 1 8 8 CYS H H 8 7.948 7.948 8.774 -0.826 19587
853 1 20 . 1 1 9 9 ASN N N 9 120.284 120.284 118.304 1.980 19587
854 1 20 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.361 0.200 19587
855 1 20 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.562 -2.773 19587
856 1 20 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.380 0.308 19587
857 1 20 . 1 1 9 9 ASN H H 9 8.460 8.460 7.934 0.526 19587
858 1 20 . 1 1 10 10 TYR N N 10 119.061 119.061 116.331 2.730 19587
859 1 20 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.498 -0.103 19587
860 1 20 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.197 -1.482 19587
861 1 20 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.670 -0.262 19587
862 1 20 . 1 1 10 10 TYR H H 10 7.864 7.864 7.272 0.592 19587
863 1 20 . 1 1 11 11 ASP N N 11 119.240 119.240 118.805 0.435 19587
864 1 20 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.578 -0.142 19587
865 1 20 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.543 -2.037 19587
866 1 20 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.009 -1.509 19587
867 1 20 . 1 1 11 11 ASP H H 11 8.120 8.120 7.804 0.316 19587
868 1 20 . 1 1 12 12 HIS N N 12 116.534 116.534 116.913 -0.379 19587
869 1 20 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.987 0.008 19587
870 1 20 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.573 0.108 19587
871 1 20 . 1 1 12 12 HIS CB C 12 28.583 28.583 30.076 -1.493 19587
872 1 20 . 1 1 12 12 HIS H H 12 8.023 8.023 8.677 -0.654 19587
873 1 20 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.268 0.192 19587
874 1 20 . 1 1 13 13 PRO CA C 13 64.157 64.157 65.009 -0.852 19587
875 1 20 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.769 0.256 19587
876 1 20 . 1 1 14 14 GLU N N 14 120.668 120.668 117.004 3.664 19587
877 1 20 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.167 0.219 19587
878 1 20 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.508 -1.028 19587
879 1 20 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.842 -0.235 19587
880 1 20 . 1 1 14 14 GLU H H 14 9.090 9.090 8.576 0.514 19587
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 6 2.493 -0.630 2.642 19587
2 1 1 "Average Difference" HA 10 0.144 -0.027 0.149 19587
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19587
4 1 1 "Average Difference" CA 10 2.099 1.644 1.376 19587
5 1 1 "Average Difference" CB 10 4.853 -1.110 4.980 19587
6 1 1 "Average Difference" HN 8 0.489 0.181 0.485 19587
7 1 2 "Average Difference" N 6 1.983 -0.069 2.171 19587
8 1 2 "Average Difference" HA 10 0.154 0.001 0.163 19587
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19587
10 1 2 "Average Difference" CA 10 1.679 1.407 0.967 19587
11 1 2 "Average Difference" CB 10 4.085 -0.968 4.183 19587
12 1 2 "Average Difference" HN 8 0.433 0.244 0.383 19587
13 1 3 "Average Difference" N 6 1.512 0.326 1.617 19587
14 1 3 "Average Difference" HA 10 0.120 -0.024 0.124 19587
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19587
16 1 3 "Average Difference" CA 10 1.774 1.467 1.051 19587
17 1 3 "Average Difference" CB 10 4.605 -1.180 4.692 19587
18 1 3 "Average Difference" HN 8 0.403 0.163 0.394 19587
19 1 4 "Average Difference" N 6 2.143 -0.491 2.285 19587
20 1 4 "Average Difference" HA 10 0.118 -0.040 0.117 19587
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19587
22 1 4 "Average Difference" CA 10 2.339 1.582 1.816 19587
23 1 4 "Average Difference" CB 10 5.017 -1.133 5.152 19587
24 1 4 "Average Difference" HN 8 0.471 0.103 0.491 19587
25 1 5 "Average Difference" N 6 1.843 -0.321 1.988 19587
26 1 5 "Average Difference" HA 10 0.168 -0.093 0.147 19587
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19587
28 1 5 "Average Difference" CA 10 2.075 1.514 1.495 19587
29 1 5 "Average Difference" CB 10 4.651 -1.155 4.749 19587
30 1 5 "Average Difference" HN 8 0.475 0.135 0.487 19587
31 1 6 "Average Difference" N 6 2.795 -0.482 3.016 19587
32 1 6 "Average Difference" HA 10 0.169 -0.004 0.178 19587
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19587
34 1 6 "Average Difference" CA 10 1.643 1.185 1.199 19587
35 1 6 "Average Difference" CB 10 4.270 -1.205 4.318 19587
36 1 6 "Average Difference" HN 8 0.516 0.312 0.440 19587
37 1 7 "Average Difference" N 6 2.373 -0.743 2.469 19587
38 1 7 "Average Difference" HA 10 0.154 -0.006 0.162 19587
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19587
40 1 7 "Average Difference" CA 10 2.080 1.581 1.425 19587
41 1 7 "Average Difference" CB 10 5.035 -1.165 5.164 19587
42 1 7 "Average Difference" HN 8 0.412 0.142 0.414 19587
43 1 8 "Average Difference" N 6 2.908 -0.731 3.083 19587
44 1 8 "Average Difference" HA 10 0.146 -0.064 0.138 19587
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19587
46 1 8 "Average Difference" CA 10 2.175 1.817 1.260 19587
47 1 8 "Average Difference" CB 10 4.832 -1.366 4.886 19587
48 1 8 "Average Difference" HN 8 0.383 0.212 0.340 19587
49 1 9 "Average Difference" N 6 1.800 -0.128 1.967 19587
50 1 9 "Average Difference" HA 10 0.171 -0.096 0.150 19587
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19587
52 1 9 "Average Difference" CA 10 1.901 1.501 1.228 19587
53 1 9 "Average Difference" CB 10 4.756 -1.144 4.866 19587
54 1 9 "Average Difference" HN 8 0.508 0.125 0.526 19587
55 1 10 "Average Difference" N 6 2.218 0.113 2.426 19587
56 1 10 "Average Difference" HA 10 0.143 -0.058 0.138 19587
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19587
58 1 10 "Average Difference" CA 10 2.182 1.709 1.431 19587
59 1 10 "Average Difference" CB 10 4.816 -1.242 4.905 19587
60 1 10 "Average Difference" HN 8 0.367 0.225 0.310 19587
61 1 11 "Average Difference" N 6 2.310 -0.148 2.525 19587
62 1 11 "Average Difference" HA 10 0.119 -0.040 0.118 19587
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19587
64 1 11 "Average Difference" CA 10 1.854 1.486 1.169 19587
65 1 11 "Average Difference" CB 10 4.638 -1.099 4.750 19587
66 1 11 "Average Difference" HN 8 0.467 0.255 0.418 19587
67 1 12 "Average Difference" N 6 2.452 -0.812 2.535 19587
68 1 12 "Average Difference" HA 10 0.141 -0.010 0.149 19587
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19587
70 1 12 "Average Difference" CA 10 1.630 1.331 0.993 19587
71 1 12 "Average Difference" CB 10 4.030 -1.035 4.106 19587
72 1 12 "Average Difference" HN 8 0.413 0.221 0.373 19587
73 1 13 "Average Difference" N 6 2.477 -0.716 2.597 19587
74 1 13 "Average Difference" HA 10 0.164 0.009 0.172 19587
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19587
76 1 13 "Average Difference" CA 10 1.845 1.359 1.317 19587
77 1 13 "Average Difference" CB 10 4.946 -1.153 5.070 19587
78 1 13 "Average Difference" HN 8 0.298 -0.143 0.279 19587
79 1 14 "Average Difference" N 6 2.524 -0.681 2.662 19587
80 1 14 "Average Difference" HA 10 0.178 -0.038 0.183 19587
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19587
82 1 14 "Average Difference" CA 10 2.214 1.720 1.469 19587
83 1 14 "Average Difference" CB 10 5.021 -1.060 5.173 19587
84 1 14 "Average Difference" HN 8 0.504 0.224 0.482 19587
85 1 15 "Average Difference" N 6 2.113 -0.289 2.293 19587
86 1 15 "Average Difference" HA 10 0.159 -0.098 0.132 19587
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19587
88 1 15 "Average Difference" CA 10 2.269 1.857 1.373 19587
89 1 15 "Average Difference" CB 10 4.915 -1.066 5.058 19587
90 1 15 "Average Difference" HN 8 0.404 0.116 0.414 19587
91 1 16 "Average Difference" N 6 2.319 -0.495 2.482 19587
92 1 16 "Average Difference" HA 10 0.106 -0.017 0.111 19587
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19587
94 1 16 "Average Difference" CA 10 1.723 1.437 1.001 19587
95 1 16 "Average Difference" CB 10 4.397 -1.161 4.470 19587
96 1 16 "Average Difference" HN 8 0.329 0.163 0.306 19587
97 1 17 "Average Difference" N 6 2.445 -1.010 2.439 19587
98 1 17 "Average Difference" HA 10 0.143 -0.022 0.149 19587
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19587
100 1 17 "Average Difference" CA 10 2.277 1.568 1.740 19587
101 1 17 "Average Difference" CB 10 4.992 -1.210 5.106 19587
102 1 17 "Average Difference" HN 8 0.389 0.168 0.375 19587
103 1 18 "Average Difference" N 6 2.328 -0.315 2.526 19587
104 1 18 "Average Difference" HA 10 0.152 -0.037 0.156 19587
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19587
106 1 18 "Average Difference" CA 10 2.182 1.613 1.548 19587
107 1 18 "Average Difference" CB 10 4.874 -1.154 4.991 19587
108 1 18 "Average Difference" HN 8 0.450 0.025 0.480 19587
109 1 19 "Average Difference" N 6 2.149 -0.252 2.338 19587
110 1 19 "Average Difference" HA 10 0.160 -0.054 0.159 19587
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19587
112 1 19 "Average Difference" CA 10 2.084 1.530 1.492 19587
113 1 19 "Average Difference" CB 10 4.776 -1.260 4.857 19587
114 1 19 "Average Difference" HN 8 0.475 0.050 0.505 19587
115 1 20 "Average Difference" N 6 2.647 -0.720 2.790 19587
116 1 20 "Average Difference" HA 10 0.169 -0.075 0.160 19587
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19587
118 1 20 "Average Difference" CA 10 2.135 1.710 1.347 19587
119 1 20 "Average Difference" CB 10 4.971 -1.283 5.063 19587
120 1 20 "Average Difference" HN 8 0.520 -0.067 0.551 19587
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 19587
_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 5 5 ASP N N 5 122.687 122.687 125.885 -3.198 19587
2 1 . 1 1 5 5 ASP HA H 5 5.080 5.080 5.005 0.075 19587
3 1 . 1 1 5 5 ASP CA C 5 51.056 51.056 52.473 -1.417 19587
4 1 . 1 1 5 5 ASP CB C 5 42.829 42.829 43.032 -0.203 19587
5 1 . 1 1 5 5 ASP H H 5 7.814 7.814 8.189 -0.375 19587
6 1 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.371 0.044 19587
7 1 . 1 1 6 6 PRO CA C 6 64.501 64.501 64.971 -0.471 19587
8 1 . 1 1 6 6 PRO CB C 6 32.355 32.355 31.962 0.393 19587
9 1 . 1 1 7 7 ARG HA H 7 4.266 4.266 4.389 -0.123 19587
10 1 . 1 1 7 7 ARG CA C 7 56.657 56.657 57.985 -1.328 19587
11 1 . 1 1 7 7 ARG CB C 7 29.732 29.732 30.119 -0.387 19587
12 1 . 1 1 7 7 ARG H H 7 8.321 8.321 8.334 -0.013 19587
13 1 . 1 1 8 8 CYS HA H 8 4.493 4.493 4.455 0.038 19587
14 1 . 1 1 8 8 CYS CA C 8 57.016 57.016 61.468 -4.452 19587
15 1 . 1 1 8 8 CYS CB C 8 41.732 41.732 26.976 14.756 19587
16 1 . 1 1 8 8 CYS H H 8 7.948 7.948 8.431 -0.483 19587
17 1 . 1 1 9 9 ASN N N 9 120.284 120.284 118.752 1.532 19587
18 1 . 1 1 9 9 ASN HA H 9 4.561 4.561 4.454 0.107 19587
19 1 . 1 1 9 9 ASN CA C 9 53.789 53.789 56.416 -2.627 19587
20 1 . 1 1 9 9 ASN CB C 9 38.688 38.688 38.579 0.109 19587
21 1 . 1 1 9 9 ASN H H 9 8.460 8.460 8.610 -0.150 19587
22 1 . 1 1 10 10 TYR N N 10 119.061 119.061 117.232 1.829 19587
23 1 . 1 1 10 10 TYR HA H 10 4.395 4.395 4.501 -0.106 19587
24 1 . 1 1 10 10 TYR CA C 10 58.715 58.715 60.440 -1.725 19587
25 1 . 1 1 10 10 TYR CB C 10 38.408 38.408 38.758 -0.350 19587
26 1 . 1 1 10 10 TYR H H 10 7.864 7.864 7.960 -0.096 19587
27 1 . 1 1 11 11 ASP N N 11 119.240 119.240 118.793 0.447 19587
28 1 . 1 1 11 11 ASP HA H 11 4.436 4.436 4.466 -0.030 19587
29 1 . 1 1 11 11 ASP CA C 11 54.506 54.506 56.072 -1.566 19587
30 1 . 1 1 11 11 ASP CB C 11 40.500 40.500 42.011 -1.511 19587
31 1 . 1 1 11 11 ASP H H 11 8.120 8.120 7.875 0.245 19587
32 1 . 1 1 12 12 HIS N N 12 116.534 116.534 117.792 -1.258 19587
33 1 . 1 1 12 12 HIS HA H 12 4.995 4.995 4.970 0.025 19587
34 1 . 1 1 12 12 HIS CA C 12 53.681 53.681 53.719 -0.038 19587
35 1 . 1 1 12 12 HIS CB C 12 28.583 28.583 29.947 -1.364 19587
36 1 . 1 1 12 12 HIS H H 12 8.023 8.023 8.609 -0.586 19587
37 1 . 1 1 13 13 PRO HA H 13 4.460 4.460 4.342 0.118 19587
38 1 . 1 1 13 13 PRO CA C 13 64.157 64.157 64.963 -0.806 19587
39 1 . 1 1 13 13 PRO CB C 13 32.025 32.025 31.907 0.119 19587
40 1 . 1 1 14 14 GLU N N 14 120.668 120.668 117.441 3.227 19587
41 1 . 1 1 14 14 GLU HA H 14 4.386 4.386 4.139 0.247 19587
42 1 . 1 1 14 14 GLU CA C 14 56.480 56.480 57.559 -1.080 19587
43 1 . 1 1 14 14 GLU CB C 14 29.607 29.607 29.593 0.014 19587
44 1 . 1 1 14 14 GLU H H 14 9.090 9.090 8.772 0.318 19587
stop_
save_