data_19577
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19577
_Entry.PDB_ID 2MFX
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 19577
_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 4 4 SER N N 4 114.270 114.270 115.937 -1.667 19577
2 1 1 . 1 1 4 4 SER HA H 4 4.370 4.370 4.465 -0.095 19577
3 1 1 . 1 1 4 4 SER CA C 4 59.200 59.200 59.736 -0.536 19577
4 1 1 . 1 1 4 4 SER CB C 4 62.720 62.720 64.060 -1.340 19577
5 1 1 . 1 1 4 4 SER H H 4 8.450 8.450 8.365 0.085 19577
6 1 1 . 1 1 5 5 ASP N N 5 123.380 123.380 122.504 0.876 19577
7 1 1 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.002 0.088 19577
8 1 1 . 1 1 5 5 ASP CA C 5 50.850 50.850 50.992 -0.142 19577
9 1 1 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.945 -0.095 19577
10 1 1 . 1 1 5 5 ASP H H 5 8.140 8.140 7.461 0.679 19577
11 1 1 . 1 1 6 6 PRO HA H 6 4.380 4.380 3.463 0.917 19577
12 1 1 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.068 0.682 19577
13 1 1 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.913 0.317 19577
14 1 1 . 1 1 10 10 TYR N N 10 118.850 118.850 119.797 -0.947 19577
15 1 1 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.560 -0.290 19577
16 1 1 . 1 1 10 10 TYR CA C 10 59.590 59.590 58.764 0.826 19577
17 1 1 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.730 -0.290 19577
18 1 1 . 1 1 10 10 TYR H H 10 7.850 7.850 7.662 0.188 19577
19 1 1 . 1 1 11 11 ASP N N 11 117.820 117.820 117.331 0.489 19577
20 1 1 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.591 -0.211 19577
21 1 1 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.728 -0.618 19577
22 1 1 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.088 -0.068 19577
23 1 1 . 1 1 11 11 ASP H H 11 8.200 8.200 8.221 -0.021 19577
24 1 1 . 1 1 12 12 HIS N N 12 115.620 115.620 116.329 -0.709 19577
25 1 1 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.023 0.207 19577
26 1 1 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.882 -0.262 19577
27 1 1 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.305 -0.565 19577
28 1 1 . 1 1 12 12 HIS H H 12 7.800 7.800 8.396 -0.596 19577
29 1 1 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.367 0.073 19577
30 1 1 . 1 1 13 13 PRO CA C 13 64.580 64.580 65.711 -1.131 19577
31 1 1 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.893 -0.253 19577
32 1 1 . 1 1 14 14 GLU N N 14 120.680 120.680 117.569 3.111 19577
33 1 1 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.126 0.234 19577
34 1 1 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.495 -1.085 19577
35 1 1 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.536 -0.846 19577
36 1 1 . 1 1 14 14 GLU H H 14 9.430 9.430 8.554 0.876 19577
37 1 1 . 1 1 15 15 ILE N N 15 119.890 119.890 114.516 5.374 19577
38 1 1 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.157 0.093 19577
39 1 1 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.075 -0.355 19577
40 1 1 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.092 -0.572 19577
41 1 1 . 1 1 15 15 ILE H H 15 7.790 7.790 8.310 -0.520 19577
42 1 2 . 1 1 4 4 SER N N 4 114.270 114.270 116.085 -1.815 19577
43 1 2 . 1 1 4 4 SER HA H 4 4.370 4.370 4.607 -0.237 19577
44 1 2 . 1 1 4 4 SER CA C 4 59.200 59.200 59.482 -0.282 19577
45 1 2 . 1 1 4 4 SER CB C 4 62.720 62.720 64.104 -1.384 19577
46 1 2 . 1 1 4 4 SER H H 4 8.450 8.450 8.301 0.149 19577
47 1 2 . 1 1 5 5 ASP N N 5 123.380 123.380 123.086 0.294 19577
48 1 2 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.120 -0.030 19577
49 1 2 . 1 1 5 5 ASP CA C 5 50.850 50.850 50.987 -0.137 19577
50 1 2 . 1 1 5 5 ASP CB C 5 42.850 42.850 43.148 -0.298 19577
51 1 2 . 1 1 5 5 ASP H H 5 8.140 8.140 7.880 0.260 19577
52 1 2 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.395 -0.015 19577
53 1 2 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.077 0.673 19577
54 1 2 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.983 0.246 19577
55 1 2 . 1 1 10 10 TYR N N 10 118.850 118.850 120.092 -1.242 19577
56 1 2 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.424 -0.154 19577
57 1 2 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.544 -0.954 19577
58 1 2 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.868 -0.428 19577
59 1 2 . 1 1 10 10 TYR H H 10 7.850 7.850 8.264 -0.414 19577
60 1 2 . 1 1 11 11 ASP N N 11 117.820 117.820 118.155 -0.335 19577
61 1 2 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.667 -0.287 19577
62 1 2 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.244 -0.134 19577
63 1 2 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.392 -0.372 19577
64 1 2 . 1 1 11 11 ASP H H 11 8.200 8.200 8.250 -0.050 19577
65 1 2 . 1 1 12 12 HIS N N 12 115.620 115.620 118.318 -2.698 19577
66 1 2 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.006 0.224 19577
67 1 2 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.808 -0.188 19577
68 1 2 . 1 1 12 12 HIS CB C 12 28.740 28.740 30.195 -1.455 19577
69 1 2 . 1 1 12 12 HIS H H 12 7.800 7.800 8.346 -0.546 19577
70 1 2 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.497 -0.057 19577
71 1 2 . 1 1 13 13 PRO CA C 13 64.580 64.580 63.993 0.587 19577
72 1 2 . 1 1 13 13 PRO CB C 13 31.640 31.640 32.052 -0.412 19577
73 1 2 . 1 1 14 14 GLU N N 14 120.680 120.680 116.729 3.951 19577
74 1 2 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.284 0.076 19577
75 1 2 . 1 1 14 14 GLU CA C 14 57.410 57.410 56.694 0.716 19577
76 1 2 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.206 -0.516 19577
77 1 2 . 1 1 14 14 GLU H H 14 9.430 9.430 8.562 0.868 19577
78 1 2 . 1 1 15 15 ILE N N 15 119.890 119.890 117.896 1.994 19577
79 1 2 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.330 -0.080 19577
80 1 2 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.055 0.665 19577
81 1 2 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.433 0.087 19577
82 1 2 . 1 1 15 15 ILE H H 15 7.790 7.790 7.640 0.150 19577
83 1 3 . 1 1 4 4 SER N N 4 114.270 114.270 116.843 -2.573 19577
84 1 3 . 1 1 4 4 SER HA H 4 4.370 4.370 4.581 -0.211 19577
85 1 3 . 1 1 4 4 SER CA C 4 59.200 59.200 59.403 -0.203 19577
86 1 3 . 1 1 4 4 SER CB C 4 62.720 62.720 64.658 -1.938 19577
87 1 3 . 1 1 4 4 SER H H 4 8.450 8.450 8.442 0.008 19577
88 1 3 . 1 1 5 5 ASP N N 5 123.380 123.380 125.052 -1.672 19577
89 1 3 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.008 0.082 19577
90 1 3 . 1 1 5 5 ASP CA C 5 50.850 50.850 52.177 -1.327 19577
91 1 3 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.380 0.470 19577
92 1 3 . 1 1 5 5 ASP H H 5 8.140 8.140 8.400 -0.260 19577
93 1 3 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.256 0.124 19577
94 1 3 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.555 0.195 19577
95 1 3 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.777 0.453 19577
96 1 3 . 1 1 10 10 TYR N N 10 118.850 118.850 120.352 -1.502 19577
97 1 3 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.406 -0.136 19577
98 1 3 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.652 -1.062 19577
99 1 3 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.872 -0.432 19577
100 1 3 . 1 1 10 10 TYR H H 10 7.850 7.850 8.865 -1.015 19577
101 1 3 . 1 1 11 11 ASP N N 11 117.820 117.820 117.741 0.079 19577
102 1 3 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.630 -0.250 19577
103 1 3 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.562 -0.452 19577
104 1 3 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.487 -0.467 19577
105 1 3 . 1 1 11 11 ASP H H 11 8.200 8.200 8.114 0.086 19577
106 1 3 . 1 1 12 12 HIS N N 12 115.620 115.620 117.100 -1.480 19577
107 1 3 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.053 0.177 19577
108 1 3 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.915 -0.295 19577
109 1 3 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.938 -1.198 19577
110 1 3 . 1 1 12 12 HIS H H 12 7.800 7.800 8.320 -0.520 19577
111 1 3 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.383 0.057 19577
112 1 3 . 1 1 13 13 PRO CA C 13 64.580 64.580 65.389 -0.809 19577
113 1 3 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.877 -0.237 19577
114 1 3 . 1 1 14 14 GLU N N 14 120.680 120.680 118.999 1.681 19577
115 1 3 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.072 0.288 19577
116 1 3 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.373 -0.963 19577
117 1 3 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.024 -0.334 19577
118 1 3 . 1 1 14 14 GLU H H 14 9.430 9.430 8.544 0.886 19577
119 1 3 . 1 1 15 15 ILE N N 15 119.890 119.890 115.991 3.899 19577
120 1 3 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.062 0.188 19577
121 1 3 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.195 -0.475 19577
122 1 3 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.597 -0.077 19577
123 1 3 . 1 1 15 15 ILE H H 15 7.790 7.790 7.536 0.254 19577
124 1 4 . 1 1 4 4 SER N N 4 114.270 114.270 115.492 -1.222 19577
125 1 4 . 1 1 4 4 SER HA H 4 4.370 4.370 4.428 -0.058 19577
126 1 4 . 1 1 4 4 SER CA C 4 59.200 59.200 59.843 -0.643 19577
127 1 4 . 1 1 4 4 SER CB C 4 62.720 62.720 63.194 -0.474 19577
128 1 4 . 1 1 4 4 SER H H 4 8.450 8.450 8.112 0.338 19577
129 1 4 . 1 1 5 5 ASP N N 5 123.380 123.380 122.617 0.763 19577
130 1 4 . 1 1 5 5 ASP HA H 5 5.090 5.090 4.989 0.101 19577
131 1 4 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.468 -0.618 19577
132 1 4 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.053 0.797 19577
133 1 4 . 1 1 5 5 ASP H H 5 8.140 8.140 8.146 -0.006 19577
134 1 4 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.270 0.110 19577
135 1 4 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.492 0.258 19577
136 1 4 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.969 0.261 19577
137 1 4 . 1 1 10 10 TYR N N 10 118.850 118.850 120.781 -1.931 19577
138 1 4 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.351 -0.081 19577
139 1 4 . 1 1 10 10 TYR CA C 10 59.590 59.590 61.001 -1.411 19577
140 1 4 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.083 -0.643 19577
141 1 4 . 1 1 10 10 TYR H H 10 7.850 7.850 8.259 -0.409 19577
142 1 4 . 1 1 11 11 ASP N N 11 117.820 117.820 117.677 0.143 19577
143 1 4 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.480 -0.100 19577
144 1 4 . 1 1 11 11 ASP CA C 11 55.110 55.110 56.100 -0.990 19577
145 1 4 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.328 -0.308 19577
146 1 4 . 1 1 11 11 ASP H H 11 8.200 8.200 7.835 0.365 19577
147 1 4 . 1 1 12 12 HIS N N 12 115.620 115.620 115.458 0.162 19577
148 1 4 . 1 1 12 12 HIS HA H 12 5.230 5.230 4.967 0.263 19577
149 1 4 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.495 0.125 19577
150 1 4 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.445 -0.705 19577
151 1 4 . 1 1 12 12 HIS H H 12 7.800 7.800 8.334 -0.534 19577
152 1 4 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.488 -0.048 19577
153 1 4 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.606 -0.026 19577
154 1 4 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.861 -0.221 19577
155 1 4 . 1 1 14 14 GLU N N 14 120.680 120.680 118.519 2.161 19577
156 1 4 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.095 0.266 19577
157 1 4 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.254 -0.844 19577
158 1 4 . 1 1 14 14 GLU CB C 14 28.690 28.690 28.683 0.007 19577
159 1 4 . 1 1 14 14 GLU H H 14 9.430 9.430 8.737 0.693 19577
160 1 4 . 1 1 15 15 ILE N N 15 119.890 119.890 116.385 3.505 19577
161 1 4 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.101 0.149 19577
162 1 4 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.898 -0.178 19577
163 1 4 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.386 0.134 19577
164 1 4 . 1 1 15 15 ILE H H 15 7.790 7.790 7.650 0.140 19577
165 1 5 . 1 1 4 4 SER N N 4 114.270 114.270 115.512 -1.242 19577
166 1 5 . 1 1 4 4 SER HA H 4 4.370 4.370 4.431 -0.061 19577
167 1 5 . 1 1 4 4 SER CA C 4 59.200 59.200 59.516 -0.316 19577
168 1 5 . 1 1 4 4 SER CB C 4 62.720 62.720 64.103 -1.383 19577
169 1 5 . 1 1 4 4 SER H H 4 8.450 8.450 8.429 0.021 19577
170 1 5 . 1 1 5 5 ASP N N 5 123.380 123.380 123.850 -0.470 19577
171 1 5 . 1 1 5 5 ASP HA H 5 5.090 5.090 4.937 0.153 19577
172 1 5 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.832 -0.982 19577
173 1 5 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.114 0.736 19577
174 1 5 . 1 1 5 5 ASP H H 5 8.140 8.140 7.775 0.365 19577
175 1 5 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.207 0.173 19577
176 1 5 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.275 0.475 19577
177 1 5 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.858 0.372 19577
178 1 5 . 1 1 10 10 TYR N N 10 118.850 118.850 120.797 -1.947 19577
179 1 5 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.306 -0.036 19577
180 1 5 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.880 -1.290 19577
181 1 5 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.874 -0.434 19577
182 1 5 . 1 1 10 10 TYR H H 10 7.850 7.850 8.186 -0.336 19577
183 1 5 . 1 1 11 11 ASP N N 11 117.820 117.820 117.426 0.394 19577
184 1 5 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.476 -0.096 19577
185 1 5 . 1 1 11 11 ASP CA C 11 55.110 55.110 56.143 -1.033 19577
186 1 5 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.222 -0.202 19577
187 1 5 . 1 1 11 11 ASP H H 11 8.200 8.200 7.792 0.408 19577
188 1 5 . 1 1 12 12 HIS N N 12 115.620 115.620 115.385 0.235 19577
189 1 5 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.307 -0.077 19577
190 1 5 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.767 -0.147 19577
191 1 5 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.166 -0.426 19577
192 1 5 . 1 1 12 12 HIS H H 12 7.800 7.800 8.119 -0.319 19577
193 1 5 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.448 -0.008 19577
194 1 5 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.672 -0.092 19577
195 1 5 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.819 -0.179 19577
196 1 5 . 1 1 14 14 GLU N N 14 120.680 120.680 118.811 1.869 19577
197 1 5 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.132 0.228 19577
198 1 5 . 1 1 14 14 GLU CA C 14 57.410 57.410 57.991 -0.581 19577
199 1 5 . 1 1 14 14 GLU CB C 14 28.690 28.690 28.692 -0.001 19577
200 1 5 . 1 1 14 14 GLU H H 14 9.430 9.430 8.672 0.758 19577
201 1 5 . 1 1 15 15 ILE N N 15 119.890 119.890 116.015 3.875 19577
202 1 5 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.130 0.120 19577
203 1 5 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.856 -0.136 19577
204 1 5 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.463 0.057 19577
205 1 5 . 1 1 15 15 ILE H H 15 7.790 7.790 7.695 0.095 19577
206 1 6 . 1 1 4 4 SER N N 4 114.270 114.270 116.391 -2.121 19577
207 1 6 . 1 1 4 4 SER HA H 4 4.370 4.370 4.455 -0.085 19577
208 1 6 . 1 1 4 4 SER CA C 4 59.200 59.200 59.979 -0.779 19577
209 1 6 . 1 1 4 4 SER CB C 4 62.720 62.720 63.856 -1.136 19577
210 1 6 . 1 1 4 4 SER H H 4 8.450 8.450 8.459 -0.009 19577
211 1 6 . 1 1 5 5 ASP N N 5 123.380 123.380 121.849 1.531 19577
212 1 6 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.089 0.001 19577
213 1 6 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.027 -0.177 19577
214 1 6 . 1 1 5 5 ASP CB C 5 42.850 42.850 43.532 -0.682 19577
215 1 6 . 1 1 5 5 ASP H H 5 8.140 8.140 7.702 0.438 19577
216 1 6 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.470 -0.090 19577
217 1 6 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.683 0.066 19577
218 1 6 . 1 1 6 6 PRO CB C 6 32.230 32.230 32.314 -0.084 19577
219 1 6 . 1 1 10 10 TYR N N 10 118.850 118.850 120.894 -2.044 19577
220 1 6 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.234 0.036 19577
221 1 6 . 1 1 10 10 TYR CA C 10 59.590 59.590 61.373 -1.783 19577
222 1 6 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.101 -0.661 19577
223 1 6 . 1 1 10 10 TYR H H 10 7.850 7.850 8.860 -1.010 19577
224 1 6 . 1 1 11 11 ASP N N 11 117.820 117.820 117.549 0.271 19577
225 1 6 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.383 -0.003 19577
226 1 6 . 1 1 11 11 ASP CA C 11 55.110 55.110 56.528 -1.418 19577
227 1 6 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.184 -0.164 19577
228 1 6 . 1 1 11 11 ASP H H 11 8.200 8.200 7.847 0.353 19577
229 1 6 . 1 1 12 12 HIS N N 12 115.620 115.620 115.696 -0.076 19577
230 1 6 . 1 1 12 12 HIS HA H 12 5.230 5.230 4.986 0.244 19577
231 1 6 . 1 1 12 12 HIS CA C 12 53.620 53.620 52.990 0.630 19577
232 1 6 . 1 1 12 12 HIS CB C 12 28.740 28.740 30.109 -1.369 19577
233 1 6 . 1 1 12 12 HIS H H 12 7.800 7.800 8.297 -0.497 19577
234 1 6 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.532 -0.092 19577
235 1 6 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.803 -0.223 19577
236 1 6 . 1 1 13 13 PRO CB C 13 31.640 31.640 32.089 -0.449 19577
237 1 6 . 1 1 14 14 GLU N N 14 120.680 120.680 118.967 1.713 19577
238 1 6 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.036 0.324 19577
239 1 6 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.874 -1.464 19577
240 1 6 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.043 -0.353 19577
241 1 6 . 1 1 14 14 GLU H H 14 9.430 9.430 8.606 0.824 19577
242 1 6 . 1 1 15 15 ILE N N 15 119.890 119.890 114.656 5.234 19577
243 1 6 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.150 0.100 19577
244 1 6 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.332 -0.612 19577
245 1 6 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.475 0.045 19577
246 1 6 . 1 1 15 15 ILE H H 15 7.790 7.790 7.749 0.041 19577
247 1 7 . 1 1 4 4 SER N N 4 114.270 114.270 116.742 -2.472 19577
248 1 7 . 1 1 4 4 SER HA H 4 4.370 4.370 4.407 -0.037 19577
249 1 7 . 1 1 4 4 SER CA C 4 59.200 59.200 60.016 -0.816 19577
250 1 7 . 1 1 4 4 SER CB C 4 62.720 62.720 63.050 -0.330 19577
251 1 7 . 1 1 4 4 SER H H 4 8.450 8.450 8.245 0.205 19577
252 1 7 . 1 1 5 5 ASP N N 5 123.380 123.380 121.988 1.392 19577
253 1 7 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.068 0.022 19577
254 1 7 . 1 1 5 5 ASP CA C 5 50.850 50.850 52.136 -1.286 19577
255 1 7 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.076 0.774 19577
256 1 7 . 1 1 5 5 ASP H H 5 8.140 8.140 7.636 0.504 19577
257 1 7 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.403 -0.023 19577
258 1 7 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.812 -0.062 19577
259 1 7 . 1 1 6 6 PRO CB C 6 32.230 32.230 32.080 0.150 19577
260 1 7 . 1 1 10 10 TYR N N 10 118.850 118.850 120.176 -1.326 19577
261 1 7 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.432 -0.162 19577
262 1 7 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.753 -1.163 19577
263 1 7 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.160 -0.720 19577
264 1 7 . 1 1 10 10 TYR H H 10 7.850 7.850 8.773 -0.923 19577
265 1 7 . 1 1 11 11 ASP N N 11 117.820 117.820 119.441 -1.621 19577
266 1 7 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.430 -0.050 19577
267 1 7 . 1 1 11 11 ASP CA C 11 55.110 55.110 56.147 -1.037 19577
268 1 7 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.182 -0.162 19577
269 1 7 . 1 1 11 11 ASP H H 11 8.200 8.200 7.839 0.361 19577
270 1 7 . 1 1 12 12 HIS N N 12 115.620 115.620 117.085 -1.465 19577
271 1 7 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.093 0.137 19577
272 1 7 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.300 0.320 19577
273 1 7 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.593 -0.853 19577
274 1 7 . 1 1 12 12 HIS H H 12 7.800 7.800 8.314 -0.514 19577
275 1 7 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.475 -0.035 19577
276 1 7 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.224 0.356 19577
277 1 7 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.977 -0.337 19577
278 1 7 . 1 1 14 14 GLU N N 14 120.680 120.680 117.573 3.107 19577
279 1 7 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.143 0.217 19577
280 1 7 . 1 1 14 14 GLU CA C 14 57.410 57.410 57.909 -0.499 19577
281 1 7 . 1 1 14 14 GLU CB C 14 28.690 28.690 28.708 -0.018 19577
282 1 7 . 1 1 14 14 GLU H H 14 9.430 9.430 8.433 0.997 19577
283 1 7 . 1 1 15 15 ILE N N 15 119.890 119.890 116.830 3.060 19577
284 1 7 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.164 0.086 19577
285 1 7 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.223 -0.503 19577
286 1 7 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.379 0.141 19577
287 1 7 . 1 1 15 15 ILE H H 15 7.790 7.790 7.772 0.018 19577
288 1 8 . 1 1 4 4 SER N N 4 114.270 114.270 116.014 -1.744 19577
289 1 8 . 1 1 4 4 SER HA H 4 4.370 4.370 4.518 -0.148 19577
290 1 8 . 1 1 4 4 SER CA C 4 59.200 59.200 59.943 -0.743 19577
291 1 8 . 1 1 4 4 SER CB C 4 62.720 62.720 64.075 -1.355 19577
292 1 8 . 1 1 4 4 SER H H 4 8.450 8.450 8.496 -0.046 19577
293 1 8 . 1 1 5 5 ASP N N 5 123.380 123.380 122.275 1.105 19577
294 1 8 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.121 -0.031 19577
295 1 8 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.462 -0.612 19577
296 1 8 . 1 1 5 5 ASP CB C 5 42.850 42.850 43.199 -0.349 19577
297 1 8 . 1 1 5 5 ASP H H 5 8.140 8.140 7.628 0.512 19577
298 1 8 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.430 -0.050 19577
299 1 8 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.804 -0.054 19577
300 1 8 . 1 1 6 6 PRO CB C 6 32.230 32.230 32.031 0.200 19577
301 1 8 . 1 1 10 10 TYR N N 10 118.850 118.850 120.274 -1.424 19577
302 1 8 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.429 -0.159 19577
303 1 8 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.555 -0.965 19577
304 1 8 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.030 -0.590 19577
305 1 8 . 1 1 10 10 TYR H H 10 7.850 7.850 8.985 -1.135 19577
306 1 8 . 1 1 11 11 ASP N N 11 117.820 117.820 119.059 -1.239 19577
307 1 8 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.590 -0.210 19577
308 1 8 . 1 1 11 11 ASP CA C 11 55.110 55.110 54.943 0.167 19577
309 1 8 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.544 -0.524 19577
310 1 8 . 1 1 11 11 ASP H H 11 8.200 8.200 7.861 0.339 19577
311 1 8 . 1 1 12 12 HIS N N 12 115.620 115.620 117.520 -1.900 19577
312 1 8 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.266 -0.036 19577
313 1 8 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.568 0.052 19577
314 1 8 . 1 1 12 12 HIS CB C 12 28.740 28.740 28.823 -0.083 19577
315 1 8 . 1 1 12 12 HIS H H 12 7.800 7.800 8.441 -0.641 19577
316 1 8 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.275 0.165 19577
317 1 8 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.916 -0.336 19577
318 1 8 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.649 -0.009 19577
319 1 8 . 1 1 14 14 GLU N N 14 120.680 120.680 117.918 2.762 19577
320 1 8 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.119 0.241 19577
321 1 8 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.087 -0.677 19577
322 1 8 . 1 1 14 14 GLU CB C 14 28.690 28.690 28.979 -0.289 19577
323 1 8 . 1 1 14 14 GLU H H 14 9.430 9.430 8.700 0.730 19577
324 1 8 . 1 1 15 15 ILE N N 15 119.890 119.890 115.502 4.388 19577
325 1 8 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.208 0.042 19577
326 1 8 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.754 -0.034 19577
327 1 8 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.232 -0.712 19577
328 1 8 . 1 1 15 15 ILE H H 15 7.790 7.790 7.678 0.112 19577
329 1 9 . 1 1 4 4 SER N N 4 114.270 114.270 116.576 -2.306 19577
330 1 9 . 1 1 4 4 SER HA H 4 4.370 4.370 4.458 -0.088 19577
331 1 9 . 1 1 4 4 SER CA C 4 59.200 59.200 59.828 -0.628 19577
332 1 9 . 1 1 4 4 SER CB C 4 62.720 62.720 63.451 -0.731 19577
333 1 9 . 1 1 4 4 SER H H 4 8.450 8.450 8.148 0.302 19577
334 1 9 . 1 1 5 5 ASP N N 5 123.380 123.380 121.177 2.203 19577
335 1 9 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.051 0.039 19577
336 1 9 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.041 -0.191 19577
337 1 9 . 1 1 5 5 ASP CB C 5 42.850 42.850 43.023 -0.173 19577
338 1 9 . 1 1 5 5 ASP H H 5 8.140 8.140 7.679 0.461 19577
339 1 9 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.388 -0.008 19577
340 1 9 . 1 1 6 6 PRO CA C 6 64.750 64.750 63.674 1.076 19577
341 1 9 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.907 0.323 19577
342 1 9 . 1 1 10 10 TYR N N 10 118.850 118.850 119.650 -0.800 19577
343 1 9 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.436 -0.166 19577
344 1 9 . 1 1 10 10 TYR CA C 10 59.590 59.590 59.842 -0.251 19577
345 1 9 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.834 -0.394 19577
346 1 9 . 1 1 10 10 TYR H H 10 7.850 7.850 8.359 -0.509 19577
347 1 9 . 1 1 11 11 ASP N N 11 117.820 117.820 116.579 1.241 19577
348 1 9 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.715 -0.335 19577
349 1 9 . 1 1 11 11 ASP CA C 11 55.110 55.110 54.435 0.675 19577
350 1 9 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.751 -0.730 19577
351 1 9 . 1 1 11 11 ASP H H 11 8.200 8.200 8.570 -0.370 19577
352 1 9 . 1 1 12 12 HIS N N 12 115.620 115.620 118.462 -2.842 19577
353 1 9 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.029 0.201 19577
354 1 9 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.537 0.083 19577
355 1 9 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.983 -1.243 19577
356 1 9 . 1 1 12 12 HIS H H 12 7.800 7.800 8.295 -0.495 19577
357 1 9 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.311 0.129 19577
358 1 9 . 1 1 13 13 PRO CA C 13 64.580 64.580 65.215 -0.635 19577
359 1 9 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.945 -0.305 19577
360 1 9 . 1 1 14 14 GLU N N 14 120.680 120.680 118.886 1.794 19577
361 1 9 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.055 0.305 19577
362 1 9 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.786 -1.376 19577
363 1 9 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.236 -0.546 19577
364 1 9 . 1 1 14 14 GLU H H 14 9.430 9.430 8.544 0.886 19577
365 1 9 . 1 1 15 15 ILE N N 15 119.890 119.890 115.378 4.512 19577
366 1 9 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.121 0.129 19577
367 1 9 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.481 -0.761 19577
368 1 9 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.503 0.017 19577
369 1 9 . 1 1 15 15 ILE H H 15 7.790 7.790 7.917 -0.127 19577
370 1 10 . 1 1 4 4 SER N N 4 114.270 114.270 116.237 -1.967 19577
371 1 10 . 1 1 4 4 SER HA H 4 4.370 4.370 4.458 -0.088 19577
372 1 10 . 1 1 4 4 SER CA C 4 59.200 59.200 59.944 -0.744 19577
373 1 10 . 1 1 4 4 SER CB C 4 62.720 62.720 64.103 -1.383 19577
374 1 10 . 1 1 4 4 SER H H 4 8.450 8.450 8.357 0.093 19577
375 1 10 . 1 1 5 5 ASP N N 5 123.380 123.380 123.207 0.173 19577
376 1 10 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.046 0.044 19577
377 1 10 . 1 1 5 5 ASP CA C 5 50.850 50.850 50.986 -0.137 19577
378 1 10 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.463 0.387 19577
379 1 10 . 1 1 5 5 ASP H H 5 8.140 8.140 7.634 0.506 19577
380 1 10 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.446 -0.066 19577
381 1 10 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.416 0.334 19577
382 1 10 . 1 1 6 6 PRO CB C 6 32.230 32.230 32.044 0.186 19577
383 1 10 . 1 1 10 10 TYR N N 10 118.850 118.850 119.848 -0.998 19577
384 1 10 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.473 -0.203 19577
385 1 10 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.129 -0.539 19577
386 1 10 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.263 -0.823 19577
387 1 10 . 1 1 10 10 TYR H H 10 7.850 7.850 8.092 -0.242 19577
388 1 10 . 1 1 11 11 ASP N N 11 117.820 117.820 119.806 -1.986 19577
389 1 10 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.502 -0.122 19577
390 1 10 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.631 -0.521 19577
391 1 10 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.264 -0.244 19577
392 1 10 . 1 1 11 11 ASP H H 11 8.200 8.200 7.799 0.401 19577
393 1 10 . 1 1 12 12 HIS N N 12 115.620 115.620 116.426 -0.806 19577
394 1 10 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.089 0.141 19577
395 1 10 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.911 -0.291 19577
396 1 10 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.270 -0.530 19577
397 1 10 . 1 1 12 12 HIS H H 12 7.800 7.800 8.275 -0.475 19577
398 1 10 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.174 0.266 19577
399 1 10 . 1 1 13 13 PRO CA C 13 64.580 64.580 65.211 -0.631 19577
400 1 10 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.690 -0.050 19577
401 1 10 . 1 1 14 14 GLU N N 14 120.680 120.680 116.968 3.712 19577
402 1 10 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.125 0.235 19577
403 1 10 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.041 -0.631 19577
404 1 10 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.013 -0.323 19577
405 1 10 . 1 1 14 14 GLU H H 14 9.430 9.430 8.715 0.715 19577
406 1 10 . 1 1 15 15 ILE N N 15 119.890 119.890 115.081 4.809 19577
407 1 10 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.242 0.008 19577
408 1 10 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.872 -0.152 19577
409 1 10 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.693 -1.173 19577
410 1 10 . 1 1 15 15 ILE H H 15 7.790 7.790 8.188 -0.398 19577
411 1 11 . 1 1 4 4 SER N N 4 114.270 114.270 115.420 -1.150 19577
412 1 11 . 1 1 4 4 SER HA H 4 4.370 4.370 4.482 -0.112 19577
413 1 11 . 1 1 4 4 SER CA C 4 59.200 59.200 59.218 -0.018 19577
414 1 11 . 1 1 4 4 SER CB C 4 62.720 62.720 63.290 -0.570 19577
415 1 11 . 1 1 4 4 SER H H 4 8.450 8.450 8.077 0.373 19577
416 1 11 . 1 1 5 5 ASP N N 5 123.380 123.380 122.533 0.847 19577
417 1 11 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.020 0.070 19577
418 1 11 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.563 -0.713 19577
419 1 11 . 1 1 5 5 ASP CB C 5 42.850 42.850 41.623 1.228 19577
420 1 11 . 1 1 5 5 ASP H H 5 8.140 8.140 8.099 0.041 19577
421 1 11 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.288 0.092 19577
422 1 11 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.942 -0.192 19577
423 1 11 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.872 0.358 19577
424 1 11 . 1 1 10 10 TYR N N 10 118.850 118.850 120.473 -1.623 19577
425 1 11 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.400 -0.130 19577
426 1 11 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.901 -1.311 19577
427 1 11 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.991 -0.551 19577
428 1 11 . 1 1 10 10 TYR H H 10 7.850 7.850 9.036 -1.186 19577
429 1 11 . 1 1 11 11 ASP N N 11 117.820 117.820 117.364 0.456 19577
430 1 11 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.656 -0.276 19577
431 1 11 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.784 -0.674 19577
432 1 11 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.551 -0.531 19577
433 1 11 . 1 1 11 11 ASP H H 11 8.200 8.200 8.148 0.052 19577
434 1 11 . 1 1 12 12 HIS N N 12 115.620 115.620 117.184 -1.564 19577
435 1 11 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.036 0.194 19577
436 1 11 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.679 -0.060 19577
437 1 11 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.454 -0.714 19577
438 1 11 . 1 1 12 12 HIS H H 12 7.800 7.800 8.379 -0.579 19577
439 1 11 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.348 0.092 19577
440 1 11 . 1 1 13 13 PRO CA C 13 64.580 64.580 65.032 -0.452 19577
441 1 11 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.692 -0.052 19577
442 1 11 . 1 1 14 14 GLU N N 14 120.680 120.680 118.417 2.263 19577
443 1 11 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.111 0.249 19577
444 1 11 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.219 -0.809 19577
445 1 11 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.618 -0.928 19577
446 1 11 . 1 1 14 14 GLU H H 14 9.430 9.430 8.512 0.918 19577
447 1 11 . 1 1 15 15 ILE N N 15 119.890 119.890 115.959 3.931 19577
448 1 11 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.093 0.157 19577
449 1 11 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.269 -0.549 19577
450 1 11 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.683 -0.163 19577
451 1 11 . 1 1 15 15 ILE H H 15 7.790 7.790 7.787 0.003 19577
452 1 12 . 1 1 4 4 SER N N 4 114.270 114.270 116.365 -2.095 19577
453 1 12 . 1 1 4 4 SER HA H 4 4.370 4.370 4.594 -0.224 19577
454 1 12 . 1 1 4 4 SER CA C 4 59.200 59.200 58.921 0.279 19577
455 1 12 . 1 1 4 4 SER CB C 4 62.720 62.720 63.872 -1.152 19577
456 1 12 . 1 1 4 4 SER H H 4 8.450 8.450 8.066 0.384 19577
457 1 12 . 1 1 5 5 ASP N N 5 123.380 123.380 122.148 1.232 19577
458 1 12 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.109 -0.019 19577
459 1 12 . 1 1 5 5 ASP CA C 5 50.850 50.850 52.151 -1.301 19577
460 1 12 . 1 1 5 5 ASP CB C 5 42.850 42.850 43.764 -0.914 19577
461 1 12 . 1 1 5 5 ASP H H 5 8.140 8.140 8.927 -0.787 19577
462 1 12 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.535 -0.155 19577
463 1 12 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.426 0.324 19577
464 1 12 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.790 0.440 19577
465 1 12 . 1 1 10 10 TYR N N 10 118.850 118.850 119.830 -0.980 19577
466 1 12 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.422 -0.152 19577
467 1 12 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.623 -1.033 19577
468 1 12 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.238 -0.798 19577
469 1 12 . 1 1 10 10 TYR H H 10 7.850 7.850 8.151 -0.301 19577
470 1 12 . 1 1 11 11 ASP N N 11 117.820 117.820 118.646 -0.826 19577
471 1 12 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.515 -0.135 19577
472 1 12 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.591 -0.481 19577
473 1 12 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.220 -0.200 19577
474 1 12 . 1 1 11 11 ASP H H 11 8.200 8.200 7.882 0.318 19577
475 1 12 . 1 1 12 12 HIS N N 12 115.620 115.620 116.565 -0.945 19577
476 1 12 . 1 1 12 12 HIS HA H 12 5.230 5.230 4.969 0.261 19577
477 1 12 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.670 -0.050 19577
478 1 12 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.994 -1.254 19577
479 1 12 . 1 1 12 12 HIS H H 12 7.800 7.800 8.167 -0.367 19577
480 1 12 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.369 0.071 19577
481 1 12 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.763 -0.183 19577
482 1 12 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.768 -0.128 19577
483 1 12 . 1 1 14 14 GLU N N 14 120.680 120.680 117.717 2.963 19577
484 1 12 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.113 0.247 19577
485 1 12 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.432 -1.022 19577
486 1 12 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.210 -0.520 19577
487 1 12 . 1 1 14 14 GLU H H 14 9.430 9.430 8.782 0.648 19577
488 1 12 . 1 1 15 15 ILE N N 15 119.890 119.890 115.302 4.588 19577
489 1 12 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.206 0.044 19577
490 1 12 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.706 0.014 19577
491 1 12 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.346 -0.826 19577
492 1 12 . 1 1 15 15 ILE H H 15 7.790 7.790 7.494 0.296 19577
493 1 13 . 1 1 4 4 SER N N 4 114.270 114.270 116.334 -2.064 19577
494 1 13 . 1 1 4 4 SER HA H 4 4.370 4.370 4.518 -0.148 19577
495 1 13 . 1 1 4 4 SER CA C 4 59.200 59.200 59.794 -0.594 19577
496 1 13 . 1 1 4 4 SER CB C 4 62.720 62.720 64.212 -1.492 19577
497 1 13 . 1 1 4 4 SER H H 4 8.450 8.450 8.272 0.178 19577
498 1 13 . 1 1 5 5 ASP N N 5 123.380 123.380 123.518 -0.138 19577
499 1 13 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.042 0.048 19577
500 1 13 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.614 -0.763 19577
501 1 13 . 1 1 5 5 ASP CB C 5 42.850 42.850 41.952 0.898 19577
502 1 13 . 1 1 5 5 ASP H H 5 8.140 8.140 7.649 0.491 19577
503 1 13 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.117 0.263 19577
504 1 13 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.837 -0.087 19577
505 1 13 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.674 0.556 19577
506 1 13 . 1 1 10 10 TYR N N 10 118.850 118.850 120.365 -1.515 19577
507 1 13 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.484 -0.214 19577
508 1 13 . 1 1 10 10 TYR CA C 10 59.590 59.590 59.925 -0.334 19577
509 1 13 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.041 -0.602 19577
510 1 13 . 1 1 10 10 TYR H H 10 7.850 7.850 8.835 -0.985 19577
511 1 13 . 1 1 11 11 ASP N N 11 117.820 117.820 119.595 -1.775 19577
512 1 13 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.507 -0.127 19577
513 1 13 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.690 -0.580 19577
514 1 13 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.376 -0.356 19577
515 1 13 . 1 1 11 11 ASP H H 11 8.200 8.200 8.057 0.143 19577
516 1 13 . 1 1 12 12 HIS N N 12 115.620 115.620 117.553 -1.933 19577
517 1 13 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.026 0.204 19577
518 1 13 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.549 0.071 19577
519 1 13 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.669 -0.929 19577
520 1 13 . 1 1 12 12 HIS H H 12 7.800 7.800 8.457 -0.657 19577
521 1 13 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.433 0.007 19577
522 1 13 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.881 -0.301 19577
523 1 13 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.578 0.061 19577
524 1 13 . 1 1 14 14 GLU N N 14 120.680 120.680 117.727 2.953 19577
525 1 13 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.101 0.259 19577
526 1 13 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.467 -1.057 19577
527 1 13 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.297 -0.607 19577
528 1 13 . 1 1 14 14 GLU H H 14 9.430 9.430 8.732 0.698 19577
529 1 13 . 1 1 15 15 ILE N N 15 119.890 119.890 115.162 4.728 19577
530 1 13 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.154 0.096 19577
531 1 13 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.043 -0.323 19577
532 1 13 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.055 -0.535 19577
533 1 13 . 1 1 15 15 ILE H H 15 7.790 7.790 7.735 0.055 19577
534 1 14 . 1 1 4 4 SER N N 4 114.270 114.270 116.071 -1.801 19577
535 1 14 . 1 1 4 4 SER HA H 4 4.370 4.370 4.505 -0.135 19577
536 1 14 . 1 1 4 4 SER CA C 4 59.200 59.200 59.874 -0.674 19577
537 1 14 . 1 1 4 4 SER CB C 4 62.720 62.720 63.996 -1.276 19577
538 1 14 . 1 1 4 4 SER H H 4 8.450 8.450 8.110 0.340 19577
539 1 14 . 1 1 5 5 ASP N N 5 123.380 123.380 122.907 0.473 19577
540 1 14 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.083 0.007 19577
541 1 14 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.368 -0.518 19577
542 1 14 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.684 0.166 19577
543 1 14 . 1 1 5 5 ASP H H 5 8.140 8.140 7.555 0.585 19577
544 1 14 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.371 0.009 19577
545 1 14 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.730 0.020 19577
546 1 14 . 1 1 6 6 PRO CB C 6 32.230 32.230 32.014 0.216 19577
547 1 14 . 1 1 10 10 TYR N N 10 118.850 118.850 120.140 -1.290 19577
548 1 14 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.438 -0.168 19577
549 1 14 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.550 -0.960 19577
550 1 14 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.014 -0.574 19577
551 1 14 . 1 1 10 10 TYR H H 10 7.850 7.850 8.855 -1.005 19577
552 1 14 . 1 1 11 11 ASP N N 11 117.820 117.820 118.312 -0.492 19577
553 1 14 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.603 -0.223 19577
554 1 14 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.608 -0.498 19577
555 1 14 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.381 -0.361 19577
556 1 14 . 1 1 11 11 ASP H H 11 8.200 8.200 8.002 0.198 19577
557 1 14 . 1 1 12 12 HIS N N 12 115.620 115.620 117.346 -1.726 19577
558 1 14 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.046 0.184 19577
559 1 14 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.534 0.086 19577
560 1 14 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.915 -1.175 19577
561 1 14 . 1 1 12 12 HIS H H 12 7.800 7.800 8.320 -0.520 19577
562 1 14 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.342 0.098 19577
563 1 14 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.957 -0.377 19577
564 1 14 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.878 -0.238 19577
565 1 14 . 1 1 14 14 GLU N N 14 120.680 120.680 118.747 1.933 19577
566 1 14 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.117 0.243 19577
567 1 14 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.101 -0.691 19577
568 1 14 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.440 -0.750 19577
569 1 14 . 1 1 14 14 GLU H H 14 9.430 9.430 8.565 0.865 19577
570 1 14 . 1 1 15 15 ILE N N 15 119.890 119.890 116.332 3.558 19577
571 1 14 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.130 0.120 19577
572 1 14 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.177 -0.457 19577
573 1 14 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.785 -0.265 19577
574 1 14 . 1 1 15 15 ILE H H 15 7.790 7.790 7.590 0.200 19577
575 1 15 . 1 1 4 4 SER N N 4 114.270 114.270 116.327 -2.057 19577
576 1 15 . 1 1 4 4 SER HA H 4 4.370 4.370 4.590 -0.220 19577
577 1 15 . 1 1 4 4 SER CA C 4 59.200 59.200 58.545 0.655 19577
578 1 15 . 1 1 4 4 SER CB C 4 62.720 62.720 63.835 -1.115 19577
579 1 15 . 1 1 4 4 SER H H 4 8.450 8.450 8.597 -0.147 19577
580 1 15 . 1 1 5 5 ASP N N 5 123.380 123.380 122.933 0.447 19577
581 1 15 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.095 -0.005 19577
582 1 15 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.544 -0.694 19577
583 1 15 . 1 1 5 5 ASP CB C 5 42.850 42.850 43.312 -0.462 19577
584 1 15 . 1 1 5 5 ASP H H 5 8.140 8.140 8.605 -0.465 19577
585 1 15 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.271 0.109 19577
586 1 15 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.389 0.361 19577
587 1 15 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.813 0.417 19577
588 1 15 . 1 1 10 10 TYR N N 10 118.850 118.850 120.074 -1.224 19577
589 1 15 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.394 -0.124 19577
590 1 15 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.447 -0.856 19577
591 1 15 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.846 -0.406 19577
592 1 15 . 1 1 10 10 TYR H H 10 7.850 7.850 8.312 -0.462 19577
593 1 15 . 1 1 11 11 ASP N N 11 117.820 117.820 118.673 -0.853 19577
594 1 15 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.609 -0.229 19577
595 1 15 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.350 -0.240 19577
596 1 15 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.512 -0.492 19577
597 1 15 . 1 1 11 11 ASP H H 11 8.200 8.200 8.144 0.056 19577
598 1 15 . 1 1 12 12 HIS N N 12 115.620 115.620 117.933 -2.313 19577
599 1 15 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.307 -0.077 19577
600 1 15 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.934 -0.314 19577
601 1 15 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.772 -1.032 19577
602 1 15 . 1 1 12 12 HIS H H 12 7.800 7.800 8.372 -0.572 19577
603 1 15 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.432 0.008 19577
604 1 15 . 1 1 13 13 PRO CA C 13 64.580 64.580 63.759 0.821 19577
605 1 15 . 1 1 13 13 PRO CB C 13 31.640 31.640 32.179 -0.539 19577
606 1 15 . 1 1 14 14 GLU N N 14 120.680 120.680 116.799 3.881 19577
607 1 15 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.183 0.177 19577
608 1 15 . 1 1 14 14 GLU CA C 14 57.410 57.410 57.018 0.392 19577
609 1 15 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.217 -0.527 19577
610 1 15 . 1 1 14 14 GLU H H 14 9.430 9.430 8.457 0.973 19577
611 1 15 . 1 1 15 15 ILE N N 15 119.890 119.890 118.560 1.330 19577
612 1 15 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.098 0.152 19577
613 1 15 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.757 -0.037 19577
614 1 15 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.060 0.460 19577
615 1 15 . 1 1 15 15 ILE H H 15 7.790 7.790 7.573 0.217 19577
616 1 16 . 1 1 4 4 SER N N 4 114.270 114.270 115.740 -1.470 19577
617 1 16 . 1 1 4 4 SER HA H 4 4.370 4.370 4.533 -0.163 19577
618 1 16 . 1 1 4 4 SER CA C 4 59.200 59.200 59.466 -0.266 19577
619 1 16 . 1 1 4 4 SER CB C 4 62.720 62.720 64.227 -1.507 19577
620 1 16 . 1 1 4 4 SER H H 4 8.450 8.450 8.412 0.038 19577
621 1 16 . 1 1 5 5 ASP N N 5 123.380 123.380 123.639 -0.259 19577
622 1 16 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.024 0.066 19577
623 1 16 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.267 -0.417 19577
624 1 16 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.869 -0.019 19577
625 1 16 . 1 1 5 5 ASP H H 5 8.140 8.140 7.579 0.561 19577
626 1 16 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.397 -0.017 19577
627 1 16 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.048 0.702 19577
628 1 16 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.912 0.318 19577
629 1 16 . 1 1 10 10 TYR N N 10 118.850 118.850 120.229 -1.379 19577
630 1 16 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.324 -0.054 19577
631 1 16 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.722 -1.132 19577
632 1 16 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.716 -0.276 19577
633 1 16 . 1 1 10 10 TYR H H 10 7.850 7.850 8.307 -0.457 19577
634 1 16 . 1 1 11 11 ASP N N 11 117.820 117.820 117.955 -0.135 19577
635 1 16 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.488 -0.108 19577
636 1 16 . 1 1 11 11 ASP CA C 11 55.110 55.110 56.434 -1.324 19577
637 1 16 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.138 -0.118 19577
638 1 16 . 1 1 11 11 ASP H H 11 8.200 8.200 7.893 0.307 19577
639 1 16 . 1 1 12 12 HIS N N 12 115.620 115.620 117.006 -1.386 19577
640 1 16 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.045 0.185 19577
641 1 16 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.435 0.185 19577
642 1 16 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.252 -0.512 19577
643 1 16 . 1 1 12 12 HIS H H 12 7.800 7.800 8.022 -0.222 19577
644 1 16 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.378 0.062 19577
645 1 16 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.199 0.381 19577
646 1 16 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.731 -0.091 19577
647 1 16 . 1 1 14 14 GLU N N 14 120.680 120.680 117.578 3.102 19577
648 1 16 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.183 0.177 19577
649 1 16 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.035 -0.625 19577
650 1 16 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.377 -0.687 19577
651 1 16 . 1 1 14 14 GLU H H 14 9.430 9.430 8.572 0.858 19577
652 1 16 . 1 1 15 15 ILE N N 15 119.890 119.890 117.175 2.715 19577
653 1 16 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.093 0.157 19577
654 1 16 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.504 -0.784 19577
655 1 16 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.466 0.054 19577
656 1 16 . 1 1 15 15 ILE H H 15 7.790 7.790 7.717 0.073 19577
657 1 17 . 1 1 4 4 SER N N 4 114.270 114.270 116.282 -2.012 19577
658 1 17 . 1 1 4 4 SER HA H 4 4.370 4.370 4.562 -0.192 19577
659 1 17 . 1 1 4 4 SER CA C 4 59.200 59.200 59.322 -0.122 19577
660 1 17 . 1 1 4 4 SER CB C 4 62.720 62.720 64.254 -1.534 19577
661 1 17 . 1 1 4 4 SER H H 4 8.450 8.450 8.309 0.141 19577
662 1 17 . 1 1 5 5 ASP N N 5 123.380 123.380 122.687 0.693 19577
663 1 17 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.122 -0.032 19577
664 1 17 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.052 -0.202 19577
665 1 17 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.850 -0.000 19577
666 1 17 . 1 1 5 5 ASP H H 5 8.140 8.140 7.653 0.487 19577
667 1 17 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.313 0.067 19577
668 1 17 . 1 1 6 6 PRO CA C 6 64.750 64.750 65.107 -0.357 19577
669 1 17 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.953 0.277 19577
670 1 17 . 1 1 10 10 TYR N N 10 118.850 118.850 120.194 -1.344 19577
671 1 17 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.391 -0.121 19577
672 1 17 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.953 -1.363 19577
673 1 17 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.998 -0.558 19577
674 1 17 . 1 1 10 10 TYR H H 10 7.850 7.850 8.791 -0.941 19577
675 1 17 . 1 1 11 11 ASP N N 11 117.820 117.820 118.622 -0.802 19577
676 1 17 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.442 -0.062 19577
677 1 17 . 1 1 11 11 ASP CA C 11 55.110 55.110 56.289 -1.179 19577
678 1 17 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.088 -0.068 19577
679 1 17 . 1 1 11 11 ASP H H 11 8.200 8.200 7.921 0.279 19577
680 1 17 . 1 1 12 12 HIS N N 12 115.620 115.620 116.450 -0.830 19577
681 1 17 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.033 0.197 19577
682 1 17 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.289 0.330 19577
683 1 17 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.332 -0.592 19577
684 1 17 . 1 1 12 12 HIS H H 12 7.800 7.800 8.185 -0.385 19577
685 1 17 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.475 -0.035 19577
686 1 17 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.151 0.429 19577
687 1 17 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.788 -0.148 19577
688 1 17 . 1 1 14 14 GLU N N 14 120.680 120.680 116.178 4.502 19577
689 1 17 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.259 0.101 19577
690 1 17 . 1 1 14 14 GLU CA C 14 57.410 57.410 57.174 0.236 19577
691 1 17 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.292 -0.602 19577
692 1 17 . 1 1 14 14 GLU H H 14 9.430 9.430 8.460 0.970 19577
693 1 17 . 1 1 15 15 ILE N N 15 119.890 119.890 115.655 4.235 19577
694 1 17 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.327 -0.077 19577
695 1 17 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.570 0.150 19577
696 1 17 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.311 -0.791 19577
697 1 17 . 1 1 15 15 ILE H H 15 7.790 7.790 7.835 -0.045 19577
698 1 18 . 1 1 4 4 SER N N 4 114.270 114.270 117.010 -2.740 19577
699 1 18 . 1 1 4 4 SER HA H 4 4.370 4.370 4.368 0.002 19577
700 1 18 . 1 1 4 4 SER CA C 4 59.200 59.200 60.422 -1.222 19577
701 1 18 . 1 1 4 4 SER CB C 4 62.720 62.720 63.647 -0.927 19577
702 1 18 . 1 1 4 4 SER H H 4 8.450 8.450 8.184 0.266 19577
703 1 18 . 1 1 5 5 ASP N N 5 123.380 123.380 121.859 1.521 19577
704 1 18 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.115 -0.025 19577
705 1 18 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.331 -0.481 19577
706 1 18 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.248 0.602 19577
707 1 18 . 1 1 5 5 ASP H H 5 8.140 8.140 7.895 0.245 19577
708 1 18 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.414 -0.034 19577
709 1 18 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.530 0.220 19577
710 1 18 . 1 1 6 6 PRO CB C 6 32.230 32.230 32.017 0.213 19577
711 1 18 . 1 1 10 10 TYR N N 10 118.850 118.850 120.465 -1.615 19577
712 1 18 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.322 -0.052 19577
713 1 18 . 1 1 10 10 TYR CA C 10 59.590 59.590 61.169 -1.579 19577
714 1 18 . 1 1 10 10 TYR CB C 10 38.440 38.440 39.038 -0.598 19577
715 1 18 . 1 1 10 10 TYR H H 10 7.850 7.850 8.863 -1.013 19577
716 1 18 . 1 1 11 11 ASP N N 11 117.820 117.820 118.562 -0.742 19577
717 1 18 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.507 -0.127 19577
718 1 18 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.636 -0.526 19577
719 1 18 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.194 -0.174 19577
720 1 18 . 1 1 11 11 ASP H H 11 8.200 8.200 7.809 0.391 19577
721 1 18 . 1 1 12 12 HIS N N 12 115.620 115.620 117.020 -1.400 19577
722 1 18 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.003 0.227 19577
723 1 18 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.374 0.245 19577
724 1 18 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.786 -1.046 19577
725 1 18 . 1 1 12 12 HIS H H 12 7.800 7.800 8.367 -0.567 19577
726 1 18 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.370 0.070 19577
727 1 18 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.959 -0.379 19577
728 1 18 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.844 -0.204 19577
729 1 18 . 1 1 14 14 GLU N N 14 120.680 120.680 117.532 3.148 19577
730 1 18 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.113 0.247 19577
731 1 18 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.240 -0.830 19577
732 1 18 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.006 -0.316 19577
733 1 18 . 1 1 14 14 GLU H H 14 9.430 9.430 8.884 0.546 19577
734 1 18 . 1 1 15 15 ILE N N 15 119.890 119.890 116.160 3.730 19577
735 1 18 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.228 0.022 19577
736 1 18 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.687 0.033 19577
737 1 18 . 1 1 15 15 ILE CB C 15 38.520 38.520 39.415 -0.895 19577
738 1 18 . 1 1 15 15 ILE H H 15 7.790 7.790 7.436 0.354 19577
739 1 19 . 1 1 4 4 SER N N 4 114.270 114.270 115.960 -1.690 19577
740 1 19 . 1 1 4 4 SER HA H 4 4.370 4.370 4.442 -0.072 19577
741 1 19 . 1 1 4 4 SER CA C 4 59.200 59.200 59.723 -0.523 19577
742 1 19 . 1 1 4 4 SER CB C 4 62.720 62.720 63.699 -0.979 19577
743 1 19 . 1 1 4 4 SER H H 4 8.450 8.450 8.098 0.352 19577
744 1 19 . 1 1 5 5 ASP N N 5 123.380 123.380 123.043 0.337 19577
745 1 19 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.066 0.024 19577
746 1 19 . 1 1 5 5 ASP CA C 5 50.850 50.850 50.787 0.063 19577
747 1 19 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.102 0.748 19577
748 1 19 . 1 1 5 5 ASP H H 5 8.140 8.140 7.789 0.351 19577
749 1 19 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.311 0.069 19577
750 1 19 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.561 0.189 19577
751 1 19 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.814 0.416 19577
752 1 19 . 1 1 10 10 TYR N N 10 118.850 118.850 120.870 -2.020 19577
753 1 19 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.262 0.008 19577
754 1 19 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.847 -1.257 19577
755 1 19 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.811 -0.371 19577
756 1 19 . 1 1 10 10 TYR H H 10 7.850 7.850 8.341 -0.491 19577
757 1 19 . 1 1 11 11 ASP N N 11 117.820 117.820 117.725 0.095 19577
758 1 19 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.550 -0.170 19577
759 1 19 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.749 -0.639 19577
760 1 19 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.486 -0.466 19577
761 1 19 . 1 1 11 11 ASP H H 11 8.200 8.200 7.809 0.391 19577
762 1 19 . 1 1 12 12 HIS N N 12 115.620 115.620 116.896 -1.276 19577
763 1 19 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.002 0.228 19577
764 1 19 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.518 0.102 19577
765 1 19 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.647 -0.907 19577
766 1 19 . 1 1 12 12 HIS H H 12 7.800 7.800 8.347 -0.547 19577
767 1 19 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.456 -0.016 19577
768 1 19 . 1 1 13 13 PRO CA C 13 64.580 64.580 65.123 -0.543 19577
769 1 19 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.935 -0.295 19577
770 1 19 . 1 1 14 14 GLU N N 14 120.680 120.680 118.826 1.854 19577
771 1 19 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.085 0.275 19577
772 1 19 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.416 -1.006 19577
773 1 19 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.196 -0.506 19577
774 1 19 . 1 1 14 14 GLU H H 14 9.430 9.430 8.577 0.853 19577
775 1 19 . 1 1 15 15 ILE N N 15 119.890 119.890 115.791 4.099 19577
776 1 19 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.097 0.153 19577
777 1 19 . 1 1 15 15 ILE CA C 15 61.720 61.720 62.056 -0.336 19577
778 1 19 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.619 -0.099 19577
779 1 19 . 1 1 15 15 ILE H H 15 7.790 7.790 7.646 0.144 19577
780 1 20 . 1 1 4 4 SER N N 4 114.270 114.270 116.460 -2.190 19577
781 1 20 . 1 1 4 4 SER HA H 4 4.370 4.370 4.538 -0.168 19577
782 1 20 . 1 1 4 4 SER CA C 4 59.200 59.200 59.748 -0.548 19577
783 1 20 . 1 1 4 4 SER CB C 4 62.720 62.720 64.271 -1.551 19577
784 1 20 . 1 1 4 4 SER H H 4 8.450 8.450 8.408 0.042 19577
785 1 20 . 1 1 5 5 ASP N N 5 123.380 123.380 122.592 0.788 19577
786 1 20 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.129 -0.039 19577
787 1 20 . 1 1 5 5 ASP CA C 5 50.850 50.850 50.895 -0.045 19577
788 1 20 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.510 0.340 19577
789 1 20 . 1 1 5 5 ASP H H 5 8.140 8.140 7.590 0.550 19577
790 1 20 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.435 -0.055 19577
791 1 20 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.474 0.276 19577
792 1 20 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.881 0.349 19577
793 1 20 . 1 1 10 10 TYR N N 10 118.850 118.850 120.550 -1.700 19577
794 1 20 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.351 -0.081 19577
795 1 20 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.215 -0.625 19577
796 1 20 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.681 -0.241 19577
797 1 20 . 1 1 10 10 TYR H H 10 7.850 7.850 9.152 -1.302 19577
798 1 20 . 1 1 11 11 ASP N N 11 117.820 117.820 116.766 1.054 19577
799 1 20 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.674 -0.294 19577
800 1 20 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.314 -0.204 19577
801 1 20 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.982 -0.962 19577
802 1 20 . 1 1 11 11 ASP H H 11 8.200 8.200 8.064 0.136 19577
803 1 20 . 1 1 12 12 HIS N N 12 115.620 115.620 117.274 -1.654 19577
804 1 20 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.035 0.195 19577
805 1 20 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.599 0.021 19577
806 1 20 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.800 -1.060 19577
807 1 20 . 1 1 12 12 HIS H H 12 7.800 7.800 8.257 -0.457 19577
808 1 20 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.316 0.124 19577
809 1 20 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.818 -0.238 19577
810 1 20 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.685 -0.045 19577
811 1 20 . 1 1 14 14 GLU N N 14 120.680 120.680 118.097 2.583 19577
812 1 20 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.111 0.249 19577
813 1 20 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.169 -0.759 19577
814 1 20 . 1 1 14 14 GLU CB C 14 28.690 28.690 28.813 -0.123 19577
815 1 20 . 1 1 14 14 GLU H H 14 9.430 9.430 8.798 0.632 19577
816 1 20 . 1 1 15 15 ILE N N 15 119.890 119.890 115.920 3.970 19577
817 1 20 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.183 0.067 19577
818 1 20 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.711 0.009 19577
819 1 20 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.950 -0.430 19577
820 1 20 . 1 1 15 15 ILE H H 15 7.790 7.790 7.471 0.319 19577
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 7 2.500 -0.932 2.505 19577
2 1 1 "Average Difference" HA 9 0.349 -0.113 0.351 19577
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19577
4 1 1 "Average Difference" CA 9 0.706 0.291 0.682 19577
5 1 1 "Average Difference" CB 9 0.617 0.413 0.486 19577
6 1 1 "Average Difference" HN 7 0.521 -0.099 0.552 19577
7 1 2 "Average Difference" N 7 2.135 -0.021 2.306 19577
8 1 2 "Average Difference" HA 9 0.159 0.062 0.156 19577
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19577
10 1 2 "Average Difference" CA 9 0.559 -0.105 0.583 19577
11 1 2 "Average Difference" CB 9 0.741 0.504 0.577 19577
12 1 2 "Average Difference" HN 7 0.437 -0.059 0.468 19577
13 1 3 "Average Difference" N 7 2.135 0.224 2.293 19577
14 1 3 "Average Difference" HA 9 0.183 -0.036 0.190 19577
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19577
16 1 3 "Average Difference" CA 9 0.750 0.599 0.479 19577
17 1 3 "Average Difference" CB 9 0.830 0.418 0.760 19577
18 1 3 "Average Difference" HN 7 0.564 0.080 0.603 19577
19 1 4 "Average Difference" N 7 1.805 -0.512 1.870 19577
20 1 4 "Average Difference" HA 9 0.151 -0.067 0.144 19577
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19577
22 1 4 "Average Difference" CA 9 0.714 0.481 0.560 19577
23 1 4 "Average Difference" CB 9 0.472 0.128 0.481 19577
24 1 4 "Average Difference" HN 7 0.414 -0.084 0.438 19577
25 1 5 "Average Difference" N 7 1.862 -0.388 1.967 19577
26 1 5 "Average Difference" HA 9 0.125 -0.044 0.124 19577
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19577
28 1 5 "Average Difference" CA 9 0.700 0.456 0.563 19577
29 1 5 "Average Difference" CB 9 0.581 0.162 0.592 19577
30 1 5 "Average Difference" HN 7 0.396 -0.142 0.400 19577
31 1 6 "Average Difference" N 7 2.433 -0.644 2.534 19577
32 1 6 "Average Difference" HA 9 0.149 -0.048 0.149 19577
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19577
34 1 6 "Average Difference" CA 9 0.989 0.640 0.799 19577
35 1 6 "Average Difference" CB 9 0.701 0.539 0.476 19577
36 1 6 "Average Difference" HN 7 0.569 -0.020 0.614 19577
37 1 7 "Average Difference" N 7 2.191 -0.096 2.364 19577
38 1 7 "Average Difference" HA 9 0.108 -0.017 0.113 19577
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19577
40 1 7 "Average Difference" CA 9 0.781 0.521 0.616 19577
41 1 7 "Average Difference" CB 9 0.487 0.150 0.492 19577
42 1 7 "Average Difference" HN 7 0.602 -0.092 0.642 19577
43 1 8 "Average Difference" N 7 2.340 -0.278 2.509 19577
44 1 8 "Average Difference" HA 9 0.143 0.021 0.150 19577
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19577
46 1 8 "Average Difference" CA 9 0.523 0.356 0.407 19577
47 1 8 "Average Difference" CB 9 0.598 0.412 0.459 19577
48 1 8 "Average Difference" HN 7 0.612 0.018 0.661 19577
49 1 9 "Average Difference" N 7 2.507 -0.543 2.644 19577
50 1 9 "Average Difference" HA 9 0.187 -0.023 0.197 19577
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19577
52 1 9 "Average Difference" CA 9 0.745 0.223 0.753 19577
53 1 9 "Average Difference" CB 9 0.605 0.420 0.461 19577
54 1 9 "Average Difference" HN 7 0.499 -0.021 0.539 19577
55 1 10 "Average Difference" N 7 2.574 -0.420 2.744 19577
56 1 10 "Average Difference" HA 9 0.155 -0.024 0.162 19577
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19577
58 1 10 "Average Difference" CA 9 0.489 0.368 0.341 19577
59 1 10 "Average Difference" CB 9 0.715 0.439 0.598 19577
60 1 10 "Average Difference" HN 7 0.444 -0.086 0.470 19577
61 1 11 "Average Difference" N 7 1.996 -0.451 2.101 19577
62 1 11 "Average Difference" HA 9 0.167 -0.037 0.173 19577
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19577
64 1 11 "Average Difference" CA 9 0.657 0.531 0.410 19577
65 1 11 "Average Difference" CB 9 0.662 0.214 0.665 19577
66 1 11 "Average Difference" HN 7 0.624 0.054 0.672 19577
67 1 12 "Average Difference" N 7 2.338 -0.562 2.451 19577
68 1 12 "Average Difference" HA 9 0.167 0.007 0.177 19577
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19577
70 1 12 "Average Difference" CA 9 0.688 0.384 0.605 19577
71 1 12 "Average Difference" CB 9 0.787 0.594 0.547 19577
72 1 12 "Average Difference" HN 7 0.478 -0.027 0.516 19577
73 1 13 "Average Difference" N 7 2.522 -0.037 2.724 19577
74 1 13 "Average Difference" HA 9 0.174 -0.043 0.179 19577
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19577
76 1 13 "Average Difference" CA 9 0.549 0.441 0.346 19577
77 1 13 "Average Difference" CB 9 0.771 0.334 0.737 19577
78 1 13 "Average Difference" HN 7 0.559 0.011 0.603 19577
79 1 14 "Average Difference" N 7 1.880 -0.094 2.028 19577
80 1 14 "Average Difference" HA 9 0.154 -0.015 0.162 19577
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19577
82 1 14 "Average Difference" CA 9 0.551 0.452 0.333 19577
83 1 14 "Average Difference" CB 9 0.686 0.473 0.526 19577
84 1 14 "Average Difference" HN 7 0.606 -0.095 0.646 19577
85 1 15 "Average Difference" N 7 2.030 0.113 2.189 19577
86 1 15 "Average Difference" HA 9 0.145 0.023 0.151 19577
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19577
88 1 15 "Average Difference" CA 9 0.554 -0.010 0.587 19577
89 1 15 "Average Difference" CB 9 0.657 0.411 0.544 19577
90 1 15 "Average Difference" HN 7 0.503 0.057 0.540 19577
91 1 16 "Average Difference" N 7 1.815 -0.170 1.952 19577
92 1 16 "Average Difference" HA 9 0.125 -0.034 0.127 19577
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19577
94 1 16 "Average Difference" CA 9 0.742 0.364 0.686 19577
95 1 16 "Average Difference" CB 9 0.597 0.315 0.538 19577
96 1 16 "Average Difference" HN 7 0.449 -0.165 0.451 19577
97 1 17 "Average Difference" N 7 2.560 -0.635 2.679 19577
98 1 17 "Average Difference" HA 9 0.114 0.017 0.120 19577
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19577
100 1 17 "Average Difference" CA 9 0.650 0.231 0.645 19577
101 1 17 "Average Difference" CB 9 0.676 0.446 0.538 19577
102 1 17 "Average Difference" HN 7 0.575 -0.072 0.616 19577
103 1 18 "Average Difference" N 7 2.353 -0.272 2.525 19577
104 1 18 "Average Difference" HA 9 0.124 -0.037 0.126 19577
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19577
106 1 18 "Average Difference" CA 9 0.777 0.502 0.629 19577
107 1 18 "Average Difference" CB 9 0.640 0.372 0.553 19577
108 1 18 "Average Difference" HN 7 0.542 -0.032 0.584 19577
109 1 19 "Average Difference" N 7 2.033 -0.200 2.185 19577
110 1 19 "Average Difference" HA 9 0.145 -0.055 0.143 19577
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19577
112 1 19 "Average Difference" CA 9 0.644 0.439 0.500 19577
113 1 19 "Average Difference" CB 9 0.598 0.273 0.564 19577
114 1 19 "Average Difference" HN 7 0.491 -0.151 0.505 19577
115 1 20 "Average Difference" N 7 2.223 -0.407 2.360 19577
116 1 20 "Average Difference" HA 9 0.165 0.000 0.175 19577
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19577
118 1 20 "Average Difference" CA 9 0.401 0.235 0.344 19577
119 1 20 "Average Difference" CB 9 0.742 0.414 0.653 19577
120 1 20 "Average Difference" HN 7 0.624 0.012 0.674 19577
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 19577
_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 4 4 SER N N 4 114.270 114.270 116.190 -1.920 19577
2 1 . 1 1 4 4 SER HA H 4 4.370 4.370 4.497 -0.127 19577
3 1 . 1 1 4 4 SER CA C 4 59.200 59.200 59.636 -0.436 19577
4 1 . 1 1 4 4 SER CB C 4 62.720 62.720 63.898 -1.178 19577
5 1 . 1 1 4 4 SER H H 4 8.450 8.450 8.294 0.156 19577
6 1 . 1 1 5 5 ASP N N 5 123.380 123.380 122.773 0.607 19577
7 1 . 1 1 5 5 ASP HA H 5 5.090 5.090 5.062 0.028 19577
8 1 . 1 1 5 5 ASP CA C 5 50.850 50.850 51.384 -0.534 19577
9 1 . 1 1 5 5 ASP CB C 5 42.850 42.850 42.642 0.208 19577
10 1 . 1 1 5 5 ASP H H 5 8.140 8.140 7.864 0.276 19577
11 1 . 1 1 6 6 PRO HA H 6 4.380 4.380 4.309 0.071 19577
12 1 . 1 1 6 6 PRO CA C 6 64.750 64.750 64.495 0.255 19577
13 1 . 1 1 6 6 PRO CB C 6 32.230 32.230 31.931 0.299 19577
14 1 . 1 1 10 10 TYR N N 10 118.850 118.850 120.293 -1.443 19577
15 1 . 1 1 10 10 TYR HA H 10 4.270 4.270 4.392 -0.122 19577
16 1 . 1 1 10 10 TYR CA C 10 59.590 59.590 60.542 -0.952 19577
17 1 . 1 1 10 10 TYR CB C 10 38.440 38.440 38.959 -0.520 19577
18 1 . 1 1 10 10 TYR H H 10 7.850 7.850 8.547 -0.697 19577
19 1 . 1 1 11 11 ASP N N 11 117.820 117.820 118.149 -0.329 19577
20 1 . 1 1 11 11 ASP HA H 11 4.380 4.380 4.551 -0.171 19577
21 1 . 1 1 11 11 ASP CA C 11 55.110 55.110 55.695 -0.585 19577
22 1 . 1 1 11 11 ASP CB C 11 41.020 41.020 41.368 -0.348 19577
23 1 . 1 1 11 11 ASP H H 11 8.200 8.200 7.993 0.207 19577
24 1 . 1 1 12 12 HIS N N 12 115.620 115.620 116.950 -1.330 19577
25 1 . 1 1 12 12 HIS HA H 12 5.230 5.230 5.066 0.164 19577
26 1 . 1 1 12 12 HIS CA C 12 53.620 53.620 53.588 0.032 19577
27 1 . 1 1 12 12 HIS CB C 12 28.740 28.740 29.622 -0.882 19577
28 1 . 1 1 12 12 HIS H H 12 7.800 7.800 8.301 -0.501 19577
29 1 . 1 1 13 13 PRO HA H 13 4.440 4.440 4.393 0.047 19577
30 1 . 1 1 13 13 PRO CA C 13 64.580 64.580 64.769 -0.189 19577
31 1 . 1 1 13 13 PRO CB C 13 31.640 31.640 31.846 -0.207 19577
32 1 . 1 1 14 14 GLU N N 14 120.680 120.680 117.928 2.752 19577
33 1 . 1 1 14 14 GLU HA H 14 4.360 4.360 4.128 0.232 19577
34 1 . 1 1 14 14 GLU CA C 14 57.410 57.410 58.089 -0.679 19577
35 1 . 1 1 14 14 GLU CB C 14 28.690 28.690 29.129 -0.439 19577
36 1 . 1 1 14 14 GLU H H 14 9.430 9.430 8.620 0.810 19577
37 1 . 1 1 15 15 ILE N N 15 119.890 119.890 116.013 3.877 19577
38 1 . 1 1 15 15 ILE HA H 15 4.250 4.250 4.164 0.086 19577
39 1 . 1 1 15 15 ILE CA C 15 61.720 61.720 61.961 -0.241 19577
40 1 . 1 1 15 15 ILE CB C 15 38.520 38.520 38.797 -0.277 19577
41 1 . 1 1 15 15 ILE H H 15 7.790 7.790 7.721 0.069 19577
stop_
save_