data_19578
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19578
_Entry.PDB_ID 2MFY
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 19578
_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 4 115.060 115.060 116.057 -0.997 19578
2 1 1 . 1 1 4 4 SER HA H 4 4.360 4.360 4.515 -0.155 19578
3 1 1 . 1 1 4 4 SER CA C 4 59.100 59.100 59.244 -0.144 19578
4 1 1 . 1 1 4 4 SER CB C 4 62.980 62.980 63.809 -0.829 19578
5 1 1 . 1 1 4 4 SER H H 4 8.450 8.450 8.308 0.142 19578
6 1 1 . 1 1 5 5 ASP N N 5 123.200 123.200 121.632 1.568 19578
7 1 1 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.016 -0.136 19578
8 1 1 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.251 -0.361 19578
9 1 1 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.759 -0.019 19578
10 1 1 . 1 1 5 5 ASP H H 5 7.620 7.620 7.720 -0.100 19578
11 1 1 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.581 -0.121 19578
12 1 1 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.167 1.193 19578
13 1 1 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.029 0.241 19578
14 1 1 . 1 1 10 10 TYR N N 10 119.390 119.390 122.344 -2.954 19578
15 1 1 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.542 -0.002 19578
16 1 1 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.298 1.372 19578
17 1 1 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.843 -0.413 19578
18 1 1 . 1 1 10 10 TYR H H 10 8.030 8.030 7.295 0.735 19578
19 1 1 . 1 1 11 11 ASP N N 11 119.160 119.160 118.132 1.028 19578
20 1 1 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.461 -0.001 19578
21 1 1 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.948 -1.328 19578
22 1 1 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.868 -0.528 19578
23 1 1 . 1 1 11 11 ASP H H 11 8.360 8.360 8.504 -0.144 19578
24 1 1 . 1 1 12 12 HIS N N 12 115.970 115.970 110.955 5.015 19578
25 1 1 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.729 0.381 19578
26 1 1 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.272 -0.782 19578
27 1 1 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.167 -0.357 19578
28 1 1 . 1 1 12 12 HIS H H 12 7.770 7.770 7.816 -0.046 19578
29 1 1 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.471 -0.022 19578
30 1 1 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.875 0.165 19578
31 1 1 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.011 0.029 19578
32 1 1 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.476 -0.106 19578
33 1 1 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.747 0.773 19578
34 1 1 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.298 -0.538 19578
35 1 1 . 1 1 14 14 GLU H H 14 9.060 9.060 7.759 1.301 19578
36 1 1 . 1 1 15 15 ILE N N 15 122.650 122.650 122.433 0.217 19578
37 1 1 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.159 -0.009 19578
38 1 1 . 1 1 15 15 ILE CA C 15 61.170 61.170 60.372 0.798 19578
39 1 1 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.847 3.263 19578
40 1 1 . 1 1 15 15 ILE H H 15 8.130 8.130 8.672 -0.542 19578
41 1 2 . 1 1 4 4 SER N N 4 115.060 115.060 116.414 -1.354 19578
42 1 2 . 1 1 4 4 SER HA H 4 4.360 4.360 4.452 -0.092 19578
43 1 2 . 1 1 4 4 SER CA C 4 59.100 59.100 58.937 0.163 19578
44 1 2 . 1 1 4 4 SER CB C 4 62.980 62.980 63.487 -0.507 19578
45 1 2 . 1 1 4 4 SER H H 4 8.450 8.450 8.332 0.118 19578
46 1 2 . 1 1 5 5 ASP N N 5 123.200 123.200 122.088 1.112 19578
47 1 2 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.019 -0.139 19578
48 1 2 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.873 -0.983 19578
49 1 2 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.731 1.009 19578
50 1 2 . 1 1 5 5 ASP H H 5 7.620 7.620 7.701 -0.081 19578
51 1 2 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.360 0.100 19578
52 1 2 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.554 0.806 19578
53 1 2 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.840 0.430 19578
54 1 2 . 1 1 10 10 TYR N N 10 119.390 119.390 120.457 -1.067 19578
55 1 2 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.656 -0.116 19578
56 1 2 . 1 1 10 10 TYR CA C 10 57.670 57.670 55.887 1.783 19578
57 1 2 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.951 -0.521 19578
58 1 2 . 1 1 10 10 TYR H H 10 8.030 8.030 7.223 0.807 19578
59 1 2 . 1 1 11 11 ASP N N 11 119.160 119.160 118.336 0.824 19578
60 1 2 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.398 0.062 19578
61 1 2 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.525 -0.905 19578
62 1 2 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.644 -0.304 19578
63 1 2 . 1 1 11 11 ASP H H 11 8.360 8.360 8.426 -0.066 19578
64 1 2 . 1 1 12 12 HIS N N 12 115.970 115.970 111.142 4.828 19578
65 1 2 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.810 0.300 19578
66 1 2 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.898 -1.408 19578
67 1 2 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.344 -0.534 19578
68 1 2 . 1 1 12 12 HIS H H 12 7.770 7.770 7.933 -0.163 19578
69 1 2 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.371 0.079 19578
70 1 2 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.653 1.387 19578
71 1 2 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.466 0.574 19578
72 1 2 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.068 0.302 19578
73 1 2 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.418 0.102 19578
74 1 2 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.421 -0.660 19578
75 1 2 . 1 1 14 14 GLU H H 14 9.060 9.060 7.859 1.201 19578
76 1 2 . 1 1 15 15 ILE N N 15 122.650 122.650 123.648 -0.998 19578
77 1 2 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.904 0.246 19578
78 1 2 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.301 -0.131 19578
79 1 2 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.187 2.923 19578
80 1 2 . 1 1 15 15 ILE H H 15 8.130 8.130 8.375 -0.245 19578
81 1 3 . 1 1 4 4 SER N N 4 115.060 115.060 116.365 -1.305 19578
82 1 3 . 1 1 4 4 SER HA H 4 4.360 4.360 4.367 -0.007 19578
83 1 3 . 1 1 4 4 SER CA C 4 59.100 59.100 59.005 0.095 19578
84 1 3 . 1 1 4 4 SER CB C 4 62.980 62.980 63.522 -0.542 19578
85 1 3 . 1 1 4 4 SER H H 4 8.450 8.450 8.265 0.185 19578
86 1 3 . 1 1 5 5 ASP N N 5 123.200 123.200 124.478 -1.278 19578
87 1 3 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.001 -0.121 19578
88 1 3 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.399 -0.509 19578
89 1 3 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.578 0.162 19578
90 1 3 . 1 1 5 5 ASP H H 5 7.620 7.620 7.956 -0.336 19578
91 1 3 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.575 -0.115 19578
92 1 3 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.028 1.332 19578
93 1 3 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.052 0.218 19578
94 1 3 . 1 1 10 10 TYR N N 10 119.390 119.390 121.700 -2.310 19578
95 1 3 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.755 -0.215 19578
96 1 3 . 1 1 10 10 TYR CA C 10 57.670 57.670 55.725 1.945 19578
97 1 3 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.836 -0.406 19578
98 1 3 . 1 1 10 10 TYR H H 10 8.030 8.030 7.268 0.762 19578
99 1 3 . 1 1 11 11 ASP N N 11 119.160 119.160 119.135 0.025 19578
100 1 3 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.515 -0.055 19578
101 1 3 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.373 -0.753 19578
102 1 3 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.614 -0.274 19578
103 1 3 . 1 1 11 11 ASP H H 11 8.360 8.360 8.507 -0.147 19578
104 1 3 . 1 1 12 12 HIS N N 12 115.970 115.970 112.756 3.214 19578
105 1 3 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.833 0.277 19578
106 1 3 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.427 0.063 19578
107 1 3 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.022 -0.212 19578
108 1 3 . 1 1 12 12 HIS H H 12 7.770 7.770 7.901 -0.131 19578
109 1 3 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.253 0.197 19578
110 1 3 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.767 1.272 19578
111 1 3 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.006 0.034 19578
112 1 3 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.157 0.213 19578
113 1 3 . 1 1 14 14 GLU CA C 14 56.520 56.520 57.000 -0.480 19578
114 1 3 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.091 0.669 19578
115 1 3 . 1 1 14 14 GLU H H 14 9.060 9.060 8.855 0.205 19578
116 1 3 . 1 1 15 15 ILE N N 15 122.650 122.650 115.059 7.591 19578
117 1 3 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.634 0.516 19578
118 1 3 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.794 -0.624 19578
119 1 3 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.533 2.577 19578
120 1 3 . 1 1 15 15 ILE H H 15 8.130 8.130 7.851 0.279 19578
121 1 4 . 1 1 4 4 SER N N 4 115.060 115.060 117.097 -2.037 19578
122 1 4 . 1 1 4 4 SER HA H 4 4.360 4.360 4.497 -0.137 19578
123 1 4 . 1 1 4 4 SER CA C 4 59.100 59.100 59.071 0.029 19578
124 1 4 . 1 1 4 4 SER CB C 4 62.980 62.980 63.945 -0.965 19578
125 1 4 . 1 1 4 4 SER H H 4 8.450 8.450 8.355 0.095 19578
126 1 4 . 1 1 5 5 ASP N N 5 123.200 123.200 122.560 0.640 19578
127 1 4 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.984 -0.104 19578
128 1 4 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.156 -0.266 19578
129 1 4 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.545 0.195 19578
130 1 4 . 1 1 5 5 ASP H H 5 7.620 7.620 7.892 -0.272 19578
131 1 4 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.856 -0.396 19578
132 1 4 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.064 1.296 19578
133 1 4 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.200 0.070 19578
134 1 4 . 1 1 10 10 TYR N N 10 119.390 119.390 119.299 0.091 19578
135 1 4 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.778 -0.238 19578
136 1 4 . 1 1 10 10 TYR CA C 10 57.670 57.670 55.244 2.426 19578
137 1 4 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.382 -0.952 19578
138 1 4 . 1 1 10 10 TYR H H 10 8.030 8.030 6.921 1.109 19578
139 1 4 . 1 1 11 11 ASP N N 11 119.160 119.160 119.194 -0.034 19578
140 1 4 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.527 -0.067 19578
141 1 4 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.306 -0.686 19578
142 1 4 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.603 -0.263 19578
143 1 4 . 1 1 11 11 ASP H H 11 8.360 8.360 8.501 -0.141 19578
144 1 4 . 1 1 12 12 HIS N N 12 115.970 115.970 114.323 1.647 19578
145 1 4 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.839 0.271 19578
146 1 4 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.098 -0.608 19578
147 1 4 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.984 -1.174 19578
148 1 4 . 1 1 12 12 HIS H H 12 7.770 7.770 8.249 -0.479 19578
149 1 4 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.604 -0.154 19578
150 1 4 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.573 1.467 19578
151 1 4 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.805 -0.765 19578
152 1 4 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.406 -0.036 19578
153 1 4 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.080 0.440 19578
154 1 4 . 1 1 14 14 GLU CB C 14 29.760 29.760 31.383 -1.623 19578
155 1 4 . 1 1 14 14 GLU H H 14 9.060 9.060 8.302 0.758 19578
156 1 4 . 1 1 15 15 ILE N N 15 122.650 122.650 122.503 0.147 19578
157 1 4 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.786 0.364 19578
158 1 4 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.207 -1.037 19578
159 1 4 . 1 1 15 15 ILE CB C 15 38.110 38.110 36.080 2.030 19578
160 1 4 . 1 1 15 15 ILE H H 15 8.130 8.130 8.898 -0.768 19578
161 1 5 . 1 1 4 4 SER N N 4 115.060 115.060 116.230 -1.170 19578
162 1 5 . 1 1 4 4 SER HA H 4 4.360 4.360 4.542 -0.182 19578
163 1 5 . 1 1 4 4 SER CA C 4 59.100 59.100 59.088 0.012 19578
164 1 5 . 1 1 4 4 SER CB C 4 62.980 62.980 63.888 -0.908 19578
165 1 5 . 1 1 4 4 SER H H 4 8.450 8.450 8.417 0.033 19578
166 1 5 . 1 1 5 5 ASP N N 5 123.200 123.200 124.590 -1.390 19578
167 1 5 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.070 -0.190 19578
168 1 5 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.150 -0.260 19578
169 1 5 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.787 0.953 19578
170 1 5 . 1 1 5 5 ASP H H 5 7.620 7.620 8.116 -0.496 19578
171 1 5 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.401 0.059 19578
172 1 5 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.555 0.805 19578
173 1 5 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.914 0.356 19578
174 1 5 . 1 1 10 10 TYR N N 10 119.390 119.390 122.404 -3.014 19578
175 1 5 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.667 -0.127 19578
176 1 5 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.824 0.846 19578
177 1 5 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.923 -0.493 19578
178 1 5 . 1 1 10 10 TYR H H 10 8.030 8.030 7.059 0.971 19578
179 1 5 . 1 1 11 11 ASP N N 11 119.160 119.160 118.695 0.465 19578
180 1 5 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.510 -0.050 19578
181 1 5 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.438 -0.818 19578
182 1 5 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.627 -0.287 19578
183 1 5 . 1 1 11 11 ASP H H 11 8.360 8.360 8.433 -0.073 19578
184 1 5 . 1 1 12 12 HIS N N 12 115.970 115.970 111.962 4.008 19578
185 1 5 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.820 0.290 19578
186 1 5 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.927 -0.437 19578
187 1 5 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.106 -0.296 19578
188 1 5 . 1 1 12 12 HIS H H 12 7.770 7.770 7.863 -0.093 19578
189 1 5 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.706 -0.256 19578
190 1 5 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.493 1.547 19578
191 1 5 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.346 -0.306 19578
192 1 5 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.268 0.102 19578
193 1 5 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.926 0.594 19578
194 1 5 . 1 1 14 14 GLU CB C 14 29.760 29.760 27.794 1.966 19578
195 1 5 . 1 1 14 14 GLU H H 14 9.060 9.060 8.770 0.290 19578
196 1 5 . 1 1 15 15 ILE N N 15 122.650 122.650 118.409 4.241 19578
197 1 5 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.563 0.587 19578
198 1 5 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.245 -1.075 19578
199 1 5 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.370 2.740 19578
200 1 5 . 1 1 15 15 ILE H H 15 8.130 8.130 8.597 -0.467 19578
201 1 6 . 1 1 4 4 SER N N 4 115.060 115.060 117.702 -2.642 19578
202 1 6 . 1 1 4 4 SER HA H 4 4.360 4.360 4.368 -0.008 19578
203 1 6 . 1 1 4 4 SER CA C 4 59.100 59.100 58.742 0.358 19578
204 1 6 . 1 1 4 4 SER CB C 4 62.980 62.980 63.491 -0.511 19578
205 1 6 . 1 1 4 4 SER H H 4 8.450 8.450 8.438 0.012 19578
206 1 6 . 1 1 5 5 ASP N N 5 123.200 123.200 123.993 -0.793 19578
207 1 6 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.935 -0.055 19578
208 1 6 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.197 -0.307 19578
209 1 6 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.097 0.643 19578
210 1 6 . 1 1 5 5 ASP H H 5 7.620 7.620 7.926 -0.306 19578
211 1 6 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.535 -0.075 19578
212 1 6 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.079 1.281 19578
213 1 6 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.069 0.201 19578
214 1 6 . 1 1 10 10 TYR N N 10 119.390 119.390 121.234 -1.844 19578
215 1 6 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.713 -0.173 19578
216 1 6 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.936 0.734 19578
217 1 6 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.074 -0.644 19578
218 1 6 . 1 1 10 10 TYR H H 10 8.030 8.030 7.127 0.903 19578
219 1 6 . 1 1 11 11 ASP N N 11 119.160 119.160 118.548 0.612 19578
220 1 6 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.642 -0.182 19578
221 1 6 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.014 -0.394 19578
222 1 6 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.733 -0.394 19578
223 1 6 . 1 1 11 11 ASP H H 11 8.360 8.360 8.889 -0.529 19578
224 1 6 . 1 1 12 12 HIS N N 12 115.970 115.970 114.172 1.798 19578
225 1 6 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.788 0.322 19578
226 1 6 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.529 -1.039 19578
227 1 6 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.832 -1.022 19578
228 1 6 . 1 1 12 12 HIS H H 12 7.770 7.770 8.317 -0.547 19578
229 1 6 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.856 -0.406 19578
230 1 6 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.704 0.336 19578
231 1 6 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.666 -0.625 19578
232 1 6 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.427 -0.057 19578
233 1 6 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.187 0.333 19578
234 1 6 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.655 -0.895 19578
235 1 6 . 1 1 14 14 GLU H H 14 9.060 9.060 8.308 0.752 19578
236 1 6 . 1 1 15 15 ILE N N 15 122.650 122.650 121.076 1.574 19578
237 1 6 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.171 -0.021 19578
238 1 6 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.399 -0.229 19578
239 1 6 . 1 1 15 15 ILE CB C 15 38.110 38.110 37.576 0.534 19578
240 1 6 . 1 1 15 15 ILE H H 15 8.130 8.130 8.113 0.017 19578
241 1 7 . 1 1 4 4 SER N N 4 115.060 115.060 115.674 -0.614 19578
242 1 7 . 1 1 4 4 SER HA H 4 4.360 4.360 4.534 -0.174 19578
243 1 7 . 1 1 4 4 SER CA C 4 59.100 59.100 59.291 -0.191 19578
244 1 7 . 1 1 4 4 SER CB C 4 62.980 62.980 63.894 -0.914 19578
245 1 7 . 1 1 4 4 SER H H 4 8.450 8.450 8.138 0.312 19578
246 1 7 . 1 1 5 5 ASP N N 5 123.200 123.200 123.769 -0.569 19578
247 1 7 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.033 -0.153 19578
248 1 7 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.030 0.860 19578
249 1 7 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.648 1.092 19578
250 1 7 . 1 1 5 5 ASP H H 5 7.620 7.620 7.747 -0.127 19578
251 1 7 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.618 -0.158 19578
252 1 7 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.529 0.831 19578
253 1 7 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.826 0.444 19578
254 1 7 . 1 1 10 10 TYR N N 10 119.390 119.390 120.545 -1.155 19578
255 1 7 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.596 -0.056 19578
256 1 7 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.267 1.403 19578
257 1 7 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.612 -0.182 19578
258 1 7 . 1 1 10 10 TYR H H 10 8.030 8.030 7.255 0.775 19578
259 1 7 . 1 1 11 11 ASP N N 11 119.160 119.160 119.601 -0.441 19578
260 1 7 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.577 -0.117 19578
261 1 7 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.196 -0.576 19578
262 1 7 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.886 -0.546 19578
263 1 7 . 1 1 11 11 ASP H H 11 8.360 8.360 8.562 -0.202 19578
264 1 7 . 1 1 12 12 HIS N N 12 115.970 115.970 113.752 2.218 19578
265 1 7 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.772 0.338 19578
266 1 7 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.544 -1.054 19578
267 1 7 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.767 -0.957 19578
268 1 7 . 1 1 12 12 HIS H H 12 7.770 7.770 8.233 -0.463 19578
269 1 7 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.502 -0.052 19578
270 1 7 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.086 0.954 19578
271 1 7 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.329 0.711 19578
272 1 7 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.042 0.328 19578
273 1 7 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.958 -0.438 19578
274 1 7 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.448 0.312 19578
275 1 7 . 1 1 14 14 GLU H H 14 9.060 9.060 8.376 0.684 19578
276 1 7 . 1 1 15 15 ILE N N 15 122.650 122.650 115.639 7.011 19578
277 1 7 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.718 0.432 19578
278 1 7 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.454 -0.284 19578
279 1 7 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.605 2.505 19578
280 1 7 . 1 1 15 15 ILE H H 15 8.130 8.130 7.918 0.212 19578
281 1 8 . 1 1 4 4 SER N N 4 115.060 115.060 115.844 -0.784 19578
282 1 8 . 1 1 4 4 SER HA H 4 4.360 4.360 4.440 -0.080 19578
283 1 8 . 1 1 4 4 SER CA C 4 59.100 59.100 58.854 0.246 19578
284 1 8 . 1 1 4 4 SER CB C 4 62.980 62.980 63.767 -0.787 19578
285 1 8 . 1 1 4 4 SER H H 4 8.450 8.450 8.501 -0.051 19578
286 1 8 . 1 1 5 5 ASP N N 5 123.200 123.200 122.852 0.348 19578
287 1 8 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.037 -0.157 19578
288 1 8 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.153 -0.263 19578
289 1 8 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.538 1.202 19578
290 1 8 . 1 1 5 5 ASP H H 5 7.620 7.620 7.902 -0.282 19578
291 1 8 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.216 0.244 19578
292 1 8 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.468 0.893 19578
293 1 8 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.040 0.230 19578
294 1 8 . 1 1 10 10 TYR N N 10 119.390 119.390 121.295 -1.905 19578
295 1 8 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.574 -0.034 19578
296 1 8 . 1 1 10 10 TYR CA C 10 57.670 57.670 57.283 0.387 19578
297 1 8 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.100 -0.670 19578
298 1 8 . 1 1 10 10 TYR H H 10 8.030 8.030 7.823 0.207 19578
299 1 8 . 1 1 11 11 ASP N N 11 119.160 119.160 118.809 0.351 19578
300 1 8 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.552 -0.092 19578
301 1 8 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.658 -1.038 19578
302 1 8 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.740 -0.401 19578
303 1 8 . 1 1 11 11 ASP H H 11 8.360 8.360 8.558 -0.198 19578
304 1 8 . 1 1 12 12 HIS N N 12 115.970 115.970 113.551 2.419 19578
305 1 8 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.811 0.299 19578
306 1 8 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.513 -1.023 19578
307 1 8 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.676 -0.866 19578
308 1 8 . 1 1 12 12 HIS H H 12 7.770 7.770 8.270 -0.500 19578
309 1 8 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.375 0.075 19578
310 1 8 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.658 0.382 19578
311 1 8 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.918 0.123 19578
312 1 8 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.070 0.300 19578
313 1 8 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.724 -0.204 19578
314 1 8 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.330 -0.570 19578
315 1 8 . 1 1 14 14 GLU H H 14 9.060 9.060 8.110 0.950 19578
316 1 8 . 1 1 15 15 ILE N N 15 122.650 122.650 123.343 -0.693 19578
317 1 8 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.017 0.133 19578
318 1 8 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.624 -0.454 19578
319 1 8 . 1 1 15 15 ILE CB C 15 38.110 38.110 36.113 1.997 19578
320 1 8 . 1 1 15 15 ILE H H 15 8.130 8.130 8.284 -0.154 19578
321 1 9 . 1 1 4 4 SER N N 4 115.060 115.060 116.321 -1.261 19578
322 1 9 . 1 1 4 4 SER HA H 4 4.360 4.360 4.624 -0.264 19578
323 1 9 . 1 1 4 4 SER CA C 4 59.100 59.100 59.170 -0.070 19578
324 1 9 . 1 1 4 4 SER CB C 4 62.980 62.980 63.820 -0.840 19578
325 1 9 . 1 1 4 4 SER H H 4 8.450 8.450 8.534 -0.084 19578
326 1 9 . 1 1 5 5 ASP N N 5 123.200 123.200 123.219 -0.019 19578
327 1 9 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.105 -0.225 19578
328 1 9 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.017 -0.127 19578
329 1 9 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.039 0.701 19578
330 1 9 . 1 1 5 5 ASP H H 5 7.620 7.620 7.941 -0.321 19578
331 1 9 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.724 -0.264 19578
332 1 9 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.526 0.834 19578
333 1 9 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.020 0.250 19578
334 1 9 . 1 1 10 10 TYR N N 10 119.390 119.390 120.681 -1.291 19578
335 1 9 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.601 -0.061 19578
336 1 9 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.256 1.414 19578
337 1 9 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.780 -0.350 19578
338 1 9 . 1 1 10 10 TYR H H 10 8.030 8.030 7.119 0.911 19578
339 1 9 . 1 1 11 11 ASP N N 11 119.160 119.160 119.592 -0.432 19578
340 1 9 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.597 -0.137 19578
341 1 9 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.324 -0.704 19578
342 1 9 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.986 -0.645 19578
343 1 9 . 1 1 11 11 ASP H H 11 8.360 8.360 8.628 -0.268 19578
344 1 9 . 1 1 12 12 HIS N N 12 115.970 115.970 114.449 1.521 19578
345 1 9 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.822 0.288 19578
346 1 9 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.335 0.155 19578
347 1 9 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.581 -0.770 19578
348 1 9 . 1 1 12 12 HIS H H 12 7.770 7.770 7.996 -0.226 19578
349 1 9 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.500 -0.050 19578
350 1 9 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.246 1.794 19578
351 1 9 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.280 -0.240 19578
352 1 9 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.341 0.029 19578
353 1 9 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.607 0.913 19578
354 1 9 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.237 0.523 19578
355 1 9 . 1 1 14 14 GLU H H 14 9.060 9.060 8.545 0.515 19578
356 1 9 . 1 1 15 15 ILE N N 15 122.650 122.650 123.810 -1.160 19578
357 1 9 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.608 0.542 19578
358 1 9 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.001 -0.831 19578
359 1 9 . 1 1 15 15 ILE CB C 15 38.110 38.110 36.261 1.849 19578
360 1 9 . 1 1 15 15 ILE H H 15 8.130 8.130 8.729 -0.599 19578
361 1 10 . 1 1 4 4 SER N N 4 115.060 115.060 116.573 -1.513 19578
362 1 10 . 1 1 4 4 SER HA H 4 4.360 4.360 4.478 -0.118 19578
363 1 10 . 1 1 4 4 SER CA C 4 59.100 59.100 59.711 -0.611 19578
364 1 10 . 1 1 4 4 SER CB C 4 62.980 62.980 64.001 -1.021 19578
365 1 10 . 1 1 4 4 SER H H 4 8.450 8.450 8.368 0.082 19578
366 1 10 . 1 1 5 5 ASP N N 5 123.200 123.200 122.108 1.092 19578
367 1 10 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.021 -0.141 19578
368 1 10 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.516 0.374 19578
369 1 10 . 1 1 5 5 ASP CB C 5 42.740 42.740 43.705 -0.964 19578
370 1 10 . 1 1 5 5 ASP H H 5 7.620 7.620 7.734 -0.114 19578
371 1 10 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.412 0.048 19578
372 1 10 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.144 1.216 19578
373 1 10 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.428 -0.158 19578
374 1 10 . 1 1 10 10 TYR N N 10 119.390 119.390 122.086 -2.696 19578
375 1 10 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.613 -0.073 19578
376 1 10 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.061 1.609 19578
377 1 10 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.937 -0.507 19578
378 1 10 . 1 1 10 10 TYR H H 10 8.030 8.030 7.145 0.885 19578
379 1 10 . 1 1 11 11 ASP N N 11 119.160 119.160 118.455 0.705 19578
380 1 10 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.404 0.056 19578
381 1 10 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.828 -1.208 19578
382 1 10 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.675 -0.335 19578
383 1 10 . 1 1 11 11 ASP H H 11 8.360 8.360 8.461 -0.101 19578
384 1 10 . 1 1 12 12 HIS N N 12 115.970 115.970 110.996 4.974 19578
385 1 10 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.864 0.246 19578
386 1 10 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.509 -1.019 19578
387 1 10 . 1 1 12 12 HIS CB C 12 28.810 28.810 28.703 0.107 19578
388 1 10 . 1 1 12 12 HIS H H 12 7.770 7.770 7.862 -0.092 19578
389 1 10 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.675 -0.225 19578
390 1 10 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.996 1.044 19578
391 1 10 . 1 1 13 13 PRO CB C 13 32.040 32.040 29.405 2.635 19578
392 1 10 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.019 0.351 19578
393 1 10 . 1 1 14 14 GLU CA C 14 56.520 56.520 57.499 -0.979 19578
394 1 10 . 1 1 14 14 GLU CB C 14 29.760 29.760 28.795 0.965 19578
395 1 10 . 1 1 14 14 GLU H H 14 9.060 9.060 8.842 0.218 19578
396 1 10 . 1 1 15 15 ILE N N 15 122.650 122.650 114.465 8.185 19578
397 1 10 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.598 0.552 19578
398 1 10 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.024 -0.854 19578
399 1 10 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.018 3.092 19578
400 1 10 . 1 1 15 15 ILE H H 15 8.130 8.130 8.297 -0.167 19578
401 1 11 . 1 1 4 4 SER N N 4 115.060 115.060 116.814 -1.754 19578
402 1 11 . 1 1 4 4 SER HA H 4 4.360 4.360 4.393 -0.033 19578
403 1 11 . 1 1 4 4 SER CA C 4 59.100 59.100 59.142 -0.042 19578
404 1 11 . 1 1 4 4 SER CB C 4 62.980 62.980 63.922 -0.942 19578
405 1 11 . 1 1 4 4 SER H H 4 8.450 8.450 8.603 -0.153 19578
406 1 11 . 1 1 5 5 ASP N N 5 123.200 123.200 123.603 -0.403 19578
407 1 11 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.034 -0.154 19578
408 1 11 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.317 -0.427 19578
409 1 11 . 1 1 5 5 ASP CB C 5 42.740 42.740 43.198 -0.458 19578
410 1 11 . 1 1 5 5 ASP H H 5 7.620 7.620 7.813 -0.193 19578
411 1 11 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.701 -0.241 19578
412 1 11 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.993 1.367 19578
413 1 11 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.224 0.046 19578
414 1 11 . 1 1 10 10 TYR N N 10 119.390 119.390 121.154 -1.764 19578
415 1 11 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.694 -0.154 19578
416 1 11 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.117 1.553 19578
417 1 11 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.085 -0.655 19578
418 1 11 . 1 1 10 10 TYR H H 10 8.030 8.030 7.151 0.879 19578
419 1 11 . 1 1 11 11 ASP N N 11 119.160 119.160 118.865 0.295 19578
420 1 11 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.523 -0.063 19578
421 1 11 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.871 -1.251 19578
422 1 11 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.827 -0.487 19578
423 1 11 . 1 1 11 11 ASP H H 11 8.360 8.360 8.637 -0.277 19578
424 1 11 . 1 1 12 12 HIS N N 12 115.970 115.970 112.453 3.517 19578
425 1 11 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.821 0.289 19578
426 1 11 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.437 0.053 19578
427 1 11 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.035 -0.225 19578
428 1 11 . 1 1 12 12 HIS H H 12 7.770 7.770 7.953 -0.183 19578
429 1 11 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.087 0.363 19578
430 1 11 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.345 1.695 19578
431 1 11 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.131 -0.091 19578
432 1 11 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.363 0.007 19578
433 1 11 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.715 0.805 19578
434 1 11 . 1 1 14 14 GLU CB C 14 29.760 29.760 31.081 -1.321 19578
435 1 11 . 1 1 14 14 GLU H H 14 9.060 9.060 8.498 0.562 19578
436 1 11 . 1 1 15 15 ILE N N 15 122.650 122.650 121.946 0.704 19578
437 1 11 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.694 0.456 19578
438 1 11 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.157 0.013 19578
439 1 11 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.634 2.476 19578
440 1 11 . 1 1 15 15 ILE H H 15 8.130 8.130 8.744 -0.614 19578
441 1 12 . 1 1 4 4 SER N N 4 115.060 115.060 116.170 -1.110 19578
442 1 12 . 1 1 4 4 SER HA H 4 4.360 4.360 4.581 -0.221 19578
443 1 12 . 1 1 4 4 SER CA C 4 59.100 59.100 59.085 0.015 19578
444 1 12 . 1 1 4 4 SER CB C 4 62.980 62.980 63.738 -0.758 19578
445 1 12 . 1 1 4 4 SER H H 4 8.450 8.450 8.329 0.121 19578
446 1 12 . 1 1 5 5 ASP N N 5 123.200 123.200 122.573 0.627 19578
447 1 12 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.176 -0.296 19578
448 1 12 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.395 0.495 19578
449 1 12 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.755 0.985 19578
450 1 12 . 1 1 5 5 ASP H H 5 7.620 7.620 7.791 -0.171 19578
451 1 12 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.291 0.169 19578
452 1 12 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.691 0.669 19578
453 1 12 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.015 0.255 19578
454 1 12 . 1 1 10 10 TYR N N 10 119.390 119.390 121.218 -1.828 19578
455 1 12 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.751 -0.211 19578
456 1 12 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.358 1.312 19578
457 1 12 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.888 -0.458 19578
458 1 12 . 1 1 10 10 TYR H H 10 8.030 8.030 7.108 0.922 19578
459 1 12 . 1 1 11 11 ASP N N 11 119.160 119.160 119.764 -0.604 19578
460 1 12 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.634 -0.174 19578
461 1 12 . 1 1 11 11 ASP CA C 11 54.620 54.620 54.827 -0.207 19578
462 1 12 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.946 -0.606 19578
463 1 12 . 1 1 11 11 ASP H H 11 8.360 8.360 8.592 -0.232 19578
464 1 12 . 1 1 12 12 HIS N N 12 115.970 115.970 112.037 3.933 19578
465 1 12 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.991 0.119 19578
466 1 12 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.269 -0.779 19578
467 1 12 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.890 -1.080 19578
468 1 12 . 1 1 12 12 HIS H H 12 7.770 7.770 8.100 -0.330 19578
469 1 12 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.466 -0.016 19578
470 1 12 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.644 0.396 19578
471 1 12 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.171 -0.131 19578
472 1 12 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.068 0.302 19578
473 1 12 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.389 0.131 19578
474 1 12 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.809 -0.049 19578
475 1 12 . 1 1 14 14 GLU H H 14 9.060 9.060 8.201 0.859 19578
476 1 12 . 1 1 15 15 ILE N N 15 122.650 122.650 118.919 3.731 19578
477 1 12 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.831 0.319 19578
478 1 12 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.665 -0.495 19578
479 1 12 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.886 2.224 19578
480 1 12 . 1 1 15 15 ILE H H 15 8.130 8.130 8.115 0.015 19578
481 1 13 . 1 1 4 4 SER N N 4 115.060 115.060 116.736 -1.676 19578
482 1 13 . 1 1 4 4 SER HA H 4 4.360 4.360 4.478 -0.118 19578
483 1 13 . 1 1 4 4 SER CA C 4 59.100 59.100 59.023 0.076 19578
484 1 13 . 1 1 4 4 SER CB C 4 62.980 62.980 63.903 -0.923 19578
485 1 13 . 1 1 4 4 SER H H 4 8.450 8.450 8.639 -0.189 19578
486 1 13 . 1 1 5 5 ASP N N 5 123.200 123.200 124.887 -1.687 19578
487 1 13 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.084 -0.204 19578
488 1 13 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.593 0.297 19578
489 1 13 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.418 0.322 19578
490 1 13 . 1 1 5 5 ASP H H 5 7.620 7.620 8.002 -0.382 19578
491 1 13 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.425 0.035 19578
492 1 13 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.230 1.129 19578
493 1 13 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.052 0.218 19578
494 1 13 . 1 1 10 10 TYR N N 10 119.390 119.390 121.116 -1.726 19578
495 1 13 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.668 -0.128 19578
496 1 13 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.295 1.375 19578
497 1 13 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.066 -0.636 19578
498 1 13 . 1 1 10 10 TYR H H 10 8.030 8.030 7.334 0.696 19578
499 1 13 . 1 1 11 11 ASP N N 11 119.160 119.160 118.291 0.869 19578
500 1 13 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.537 -0.077 19578
501 1 13 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.725 -1.105 19578
502 1 13 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.971 -0.631 19578
503 1 13 . 1 1 11 11 ASP H H 11 8.360 8.360 8.525 -0.165 19578
504 1 13 . 1 1 12 12 HIS N N 12 115.970 115.970 110.747 5.223 19578
505 1 13 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.900 0.210 19578
506 1 13 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.527 -1.037 19578
507 1 13 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.423 -0.613 19578
508 1 13 . 1 1 12 12 HIS H H 12 7.770 7.770 8.034 -0.264 19578
509 1 13 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.438 0.012 19578
510 1 13 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.802 0.238 19578
511 1 13 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.662 0.379 19578
512 1 13 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.070 0.300 19578
513 1 13 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.787 -0.267 19578
514 1 13 . 1 1 14 14 GLU CB C 14 29.760 29.760 28.916 0.844 19578
515 1 13 . 1 1 14 14 GLU H H 14 9.060 9.060 8.289 0.771 19578
516 1 13 . 1 1 15 15 ILE N N 15 122.650 122.650 119.089 3.561 19578
517 1 13 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.604 0.546 19578
518 1 13 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.912 -0.742 19578
519 1 13 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.380 2.730 19578
520 1 13 . 1 1 15 15 ILE H H 15 8.130 8.130 8.582 -0.452 19578
521 1 14 . 1 1 4 4 SER N N 4 115.060 115.060 115.929 -0.869 19578
522 1 14 . 1 1 4 4 SER HA H 4 4.360 4.360 4.496 -0.136 19578
523 1 14 . 1 1 4 4 SER CA C 4 59.100 59.100 58.953 0.147 19578
524 1 14 . 1 1 4 4 SER CB C 4 62.980 62.980 63.962 -0.982 19578
525 1 14 . 1 1 4 4 SER H H 4 8.450 8.450 8.443 0.007 19578
526 1 14 . 1 1 5 5 ASP N N 5 123.200 123.200 124.052 -0.852 19578
527 1 14 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.025 -0.145 19578
528 1 14 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.737 0.153 19578
529 1 14 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.542 0.198 19578
530 1 14 . 1 1 5 5 ASP H H 5 7.620 7.620 8.224 -0.604 19578
531 1 14 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.491 -0.031 19578
532 1 14 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.889 1.471 19578
533 1 14 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.077 0.193 19578
534 1 14 . 1 1 10 10 TYR N N 10 119.390 119.390 121.875 -2.485 19578
535 1 14 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.645 -0.105 19578
536 1 14 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.274 1.396 19578
537 1 14 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.814 -0.384 19578
538 1 14 . 1 1 10 10 TYR H H 10 8.030 8.030 7.168 0.863 19578
539 1 14 . 1 1 11 11 ASP N N 11 119.160 119.160 118.588 0.572 19578
540 1 14 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.544 -0.084 19578
541 1 14 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.696 -1.076 19578
542 1 14 . 1 1 11 11 ASP CB C 11 40.340 40.340 41.062 -0.722 19578
543 1 14 . 1 1 11 11 ASP H H 11 8.360 8.360 8.598 -0.238 19578
544 1 14 . 1 1 12 12 HIS N N 12 115.970 115.970 111.272 4.698 19578
545 1 14 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.846 0.264 19578
546 1 14 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.807 -1.317 19578
547 1 14 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.279 -0.469 19578
548 1 14 . 1 1 12 12 HIS H H 12 7.770 7.770 8.173 -0.403 19578
549 1 14 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.626 -0.176 19578
550 1 14 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.525 0.515 19578
551 1 14 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.497 -0.457 19578
552 1 14 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.402 -0.032 19578
553 1 14 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.477 1.043 19578
554 1 14 . 1 1 14 14 GLU CB C 14 29.760 29.760 31.155 -1.395 19578
555 1 14 . 1 1 14 14 GLU H H 14 9.060 9.060 7.962 1.098 19578
556 1 14 . 1 1 15 15 ILE N N 15 122.650 122.650 122.714 -0.064 19578
557 1 14 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.062 0.088 19578
558 1 14 . 1 1 15 15 ILE CA C 15 61.170 61.170 60.653 0.517 19578
559 1 14 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.945 3.165 19578
560 1 14 . 1 1 15 15 ILE H H 15 8.130 8.130 8.591 -0.461 19578
561 1 15 . 1 1 4 4 SER N N 4 115.060 115.060 116.996 -1.936 19578
562 1 15 . 1 1 4 4 SER HA H 4 4.360 4.360 4.409 -0.049 19578
563 1 15 . 1 1 4 4 SER CA C 4 59.100 59.100 58.922 0.178 19578
564 1 15 . 1 1 4 4 SER CB C 4 62.980 62.980 63.767 -0.787 19578
565 1 15 . 1 1 4 4 SER H H 4 8.450 8.450 8.597 -0.147 19578
566 1 15 . 1 1 5 5 ASP N N 5 123.200 123.200 123.707 -0.507 19578
567 1 15 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.076 -0.196 19578
568 1 15 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.340 -0.450 19578
569 1 15 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.497 1.243 19578
570 1 15 . 1 1 5 5 ASP H H 5 7.620 7.620 7.849 -0.229 19578
571 1 15 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.415 0.045 19578
572 1 15 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.564 0.796 19578
573 1 15 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.869 0.401 19578
574 1 15 . 1 1 10 10 TYR N N 10 119.390 119.390 120.746 -1.356 19578
575 1 15 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.680 -0.140 19578
576 1 15 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.356 1.314 19578
577 1 15 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.816 -0.386 19578
578 1 15 . 1 1 10 10 TYR H H 10 8.030 8.030 7.366 0.664 19578
579 1 15 . 1 1 11 11 ASP N N 11 119.160 119.160 118.349 0.811 19578
580 1 15 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.545 -0.085 19578
581 1 15 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.658 -1.038 19578
582 1 15 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.907 -0.567 19578
583 1 15 . 1 1 11 11 ASP H H 11 8.360 8.360 8.511 -0.151 19578
584 1 15 . 1 1 12 12 HIS N N 12 115.970 115.970 112.233 3.737 19578
585 1 15 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.759 0.351 19578
586 1 15 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.192 -0.702 19578
587 1 15 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.098 -0.288 19578
588 1 15 . 1 1 12 12 HIS H H 12 7.770 7.770 7.911 -0.141 19578
589 1 15 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.721 -0.271 19578
590 1 15 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.594 1.446 19578
591 1 15 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.050 -0.009 19578
592 1 15 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.318 0.052 19578
593 1 15 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.017 0.503 19578
594 1 15 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.881 -0.121 19578
595 1 15 . 1 1 14 14 GLU H H 14 9.060 9.060 8.512 0.548 19578
596 1 15 . 1 1 15 15 ILE N N 15 122.650 122.650 123.148 -0.498 19578
597 1 15 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.815 0.335 19578
598 1 15 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.021 -0.851 19578
599 1 15 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.490 2.620 19578
600 1 15 . 1 1 15 15 ILE H H 15 8.130 8.130 8.531 -0.401 19578
601 1 16 . 1 1 4 4 SER N N 4 115.060 115.060 116.303 -1.243 19578
602 1 16 . 1 1 4 4 SER HA H 4 4.360 4.360 4.444 -0.084 19578
603 1 16 . 1 1 4 4 SER CA C 4 59.100 59.100 58.776 0.324 19578
604 1 16 . 1 1 4 4 SER CB C 4 62.980 62.980 64.076 -1.096 19578
605 1 16 . 1 1 4 4 SER H H 4 8.450 8.450 8.576 -0.126 19578
606 1 16 . 1 1 5 5 ASP N N 5 123.200 123.200 124.500 -1.300 19578
607 1 16 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.003 -0.123 19578
608 1 16 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.745 -0.855 19578
609 1 16 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.997 0.743 19578
610 1 16 . 1 1 5 5 ASP H H 5 7.620 7.620 8.161 -0.541 19578
611 1 16 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.484 -0.024 19578
612 1 16 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.385 0.975 19578
613 1 16 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.946 0.324 19578
614 1 16 . 1 1 10 10 TYR N N 10 119.390 119.390 121.375 -1.985 19578
615 1 16 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.647 -0.107 19578
616 1 16 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.584 1.086 19578
617 1 16 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.889 -0.459 19578
618 1 16 . 1 1 10 10 TYR H H 10 8.030 8.030 7.439 0.591 19578
619 1 16 . 1 1 11 11 ASP N N 11 119.160 119.160 119.152 0.008 19578
620 1 16 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.552 -0.092 19578
621 1 16 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.713 -1.093 19578
622 1 16 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.745 -0.405 19578
623 1 16 . 1 1 11 11 ASP H H 11 8.360 8.360 8.622 -0.262 19578
624 1 16 . 1 1 12 12 HIS N N 12 115.970 115.970 114.298 1.672 19578
625 1 16 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.806 0.304 19578
626 1 16 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.007 -0.517 19578
627 1 16 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.195 -0.385 19578
628 1 16 . 1 1 12 12 HIS H H 12 7.770 7.770 8.094 -0.324 19578
629 1 16 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.567 -0.117 19578
630 1 16 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.655 1.385 19578
631 1 16 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.139 -0.099 19578
632 1 16 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.369 0.001 19578
633 1 16 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.730 0.790 19578
634 1 16 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.410 -0.650 19578
635 1 16 . 1 1 14 14 GLU H H 14 9.060 9.060 8.405 0.655 19578
636 1 16 . 1 1 15 15 ILE N N 15 122.650 122.650 123.196 -0.546 19578
637 1 16 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.915 0.235 19578
638 1 16 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.263 -0.093 19578
639 1 16 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.417 3.692 19578
640 1 16 . 1 1 15 15 ILE H H 15 8.130 8.130 8.555 -0.425 19578
641 1 17 . 1 1 4 4 SER N N 4 115.060 115.060 116.432 -1.372 19578
642 1 17 . 1 1 4 4 SER HA H 4 4.360 4.360 4.494 -0.134 19578
643 1 17 . 1 1 4 4 SER CA C 4 59.100 59.100 58.540 0.560 19578
644 1 17 . 1 1 4 4 SER CB C 4 62.980 62.980 63.803 -0.823 19578
645 1 17 . 1 1 4 4 SER H H 4 8.450 8.450 8.656 -0.206 19578
646 1 17 . 1 1 5 5 ASP N N 5 123.200 123.200 124.340 -1.140 19578
647 1 17 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.036 -0.156 19578
648 1 17 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.472 0.418 19578
649 1 17 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.614 0.126 19578
650 1 17 . 1 1 5 5 ASP H H 5 7.620 7.620 7.807 -0.187 19578
651 1 17 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.512 -0.052 19578
652 1 17 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.967 1.393 19578
653 1 17 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.083 0.187 19578
654 1 17 . 1 1 10 10 TYR N N 10 119.390 119.390 122.992 -3.602 19578
655 1 17 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.578 -0.038 19578
656 1 17 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.305 1.365 19578
657 1 17 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.746 -0.316 19578
658 1 17 . 1 1 10 10 TYR H H 10 8.030 8.030 7.274 0.756 19578
659 1 17 . 1 1 11 11 ASP N N 11 119.160 119.160 118.308 0.852 19578
660 1 17 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.461 -0.001 19578
661 1 17 . 1 1 11 11 ASP CA C 11 54.620 54.620 56.247 -1.627 19578
662 1 17 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.877 -0.537 19578
663 1 17 . 1 1 11 11 ASP H H 11 8.360 8.360 8.554 -0.194 19578
664 1 17 . 1 1 12 12 HIS N N 12 115.970 115.970 110.937 5.033 19578
665 1 17 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.728 0.382 19578
666 1 17 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.064 -0.574 19578
667 1 17 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.257 -0.447 19578
668 1 17 . 1 1 12 12 HIS H H 12 7.770 7.770 7.934 -0.164 19578
669 1 17 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.440 0.010 19578
670 1 17 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.983 0.057 19578
671 1 17 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.162 -0.122 19578
672 1 17 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.362 0.008 19578
673 1 17 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.382 0.138 19578
674 1 17 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.262 -0.502 19578
675 1 17 . 1 1 14 14 GLU H H 14 9.060 9.060 8.324 0.736 19578
676 1 17 . 1 1 15 15 ILE N N 15 122.650 122.650 117.560 5.090 19578
677 1 17 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.618 0.532 19578
678 1 17 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.288 -1.118 19578
679 1 17 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.871 3.239 19578
680 1 17 . 1 1 15 15 ILE H H 15 8.130 8.130 8.200 -0.070 19578
681 1 18 . 1 1 4 4 SER N N 4 115.060 115.060 117.484 -2.424 19578
682 1 18 . 1 1 4 4 SER HA H 4 4.360 4.360 4.438 -0.078 19578
683 1 18 . 1 1 4 4 SER CA C 4 59.100 59.100 59.758 -0.658 19578
684 1 18 . 1 1 4 4 SER CB C 4 62.980 62.980 63.251 -0.271 19578
685 1 18 . 1 1 4 4 SER H H 4 8.450 8.450 8.414 0.036 19578
686 1 18 . 1 1 5 5 ASP N N 5 123.200 123.200 121.654 1.546 19578
687 1 18 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.966 -0.086 19578
688 1 18 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.297 -0.407 19578
689 1 18 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.403 0.337 19578
690 1 18 . 1 1 5 5 ASP H H 5 7.620 7.620 7.644 -0.024 19578
691 1 18 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.559 -0.098 19578
692 1 18 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.228 1.131 19578
693 1 18 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.113 0.157 19578
694 1 18 . 1 1 10 10 TYR N N 10 119.390 119.390 122.825 -3.435 19578
695 1 18 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.560 -0.020 19578
696 1 18 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.834 0.836 19578
697 1 18 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.229 -0.799 19578
698 1 18 . 1 1 10 10 TYR H H 10 8.030 8.030 7.947 0.083 19578
699 1 18 . 1 1 11 11 ASP N N 11 119.160 119.160 118.613 0.547 19578
700 1 18 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.511 -0.051 19578
701 1 18 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.700 -1.080 19578
702 1 18 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.862 -0.522 19578
703 1 18 . 1 1 11 11 ASP H H 11 8.360 8.360 8.540 -0.180 19578
704 1 18 . 1 1 12 12 HIS N N 12 115.970 115.970 111.950 4.020 19578
705 1 18 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.771 0.339 19578
706 1 18 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.930 -0.440 19578
707 1 18 . 1 1 12 12 HIS CB C 12 28.810 28.810 28.768 0.042 19578
708 1 18 . 1 1 12 12 HIS H H 12 7.770 7.770 7.849 -0.079 19578
709 1 18 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.614 -0.164 19578
710 1 18 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.545 1.494 19578
711 1 18 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.600 -0.560 19578
712 1 18 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.258 0.112 19578
713 1 18 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.351 0.169 19578
714 1 18 . 1 1 14 14 GLU CB C 14 29.760 29.760 27.754 2.006 19578
715 1 18 . 1 1 14 14 GLU H H 14 9.060 9.060 8.623 0.437 19578
716 1 18 . 1 1 15 15 ILE N N 15 122.650 122.650 121.685 0.965 19578
717 1 18 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.741 0.409 19578
718 1 18 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.020 -0.850 19578
719 1 18 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.873 2.237 19578
720 1 18 . 1 1 15 15 ILE H H 15 8.130 8.130 8.150 -0.020 19578
721 1 19 . 1 1 4 4 SER N N 4 115.060 115.060 115.957 -0.897 19578
722 1 19 . 1 1 4 4 SER HA H 4 4.360 4.360 4.472 -0.112 19578
723 1 19 . 1 1 4 4 SER CA C 4 59.100 59.100 58.607 0.493 19578
724 1 19 . 1 1 4 4 SER CB C 4 62.980 62.980 64.041 -1.061 19578
725 1 19 . 1 1 4 4 SER H H 4 8.450 8.450 8.447 0.003 19578
726 1 19 . 1 1 5 5 ASP N N 5 123.200 123.200 124.925 -1.725 19578
727 1 19 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.870 0.010 19578
728 1 19 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.419 -0.529 19578
729 1 19 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.091 0.649 19578
730 1 19 . 1 1 5 5 ASP H H 5 7.620 7.620 8.041 -0.421 19578
731 1 19 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.529 -0.069 19578
732 1 19 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.964 1.396 19578
733 1 19 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.250 0.020 19578
734 1 19 . 1 1 10 10 TYR N N 10 119.390 119.390 122.084 -2.694 19578
735 1 19 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.402 0.138 19578
736 1 19 . 1 1 10 10 TYR CA C 10 57.670 57.670 57.550 0.120 19578
737 1 19 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.731 -0.301 19578
738 1 19 . 1 1 10 10 TYR H H 10 8.030 8.030 7.391 0.639 19578
739 1 19 . 1 1 11 11 ASP N N 11 119.160 119.160 117.938 1.222 19578
740 1 19 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.517 -0.057 19578
741 1 19 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.971 -1.351 19578
742 1 19 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.962 -0.622 19578
743 1 19 . 1 1 11 11 ASP H H 11 8.360 8.360 8.557 -0.197 19578
744 1 19 . 1 1 12 12 HIS N N 12 115.970 115.970 111.264 4.706 19578
745 1 19 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.884 0.226 19578
746 1 19 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.631 -1.141 19578
747 1 19 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.620 -0.810 19578
748 1 19 . 1 1 12 12 HIS H H 12 7.770 7.770 8.085 -0.315 19578
749 1 19 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.665 -0.215 19578
750 1 19 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.438 0.603 19578
751 1 19 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.141 -0.101 19578
752 1 19 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.049 0.321 19578
753 1 19 . 1 1 14 14 GLU CA C 14 56.520 56.520 57.054 -0.534 19578
754 1 19 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.262 0.498 19578
755 1 19 . 1 1 14 14 GLU H H 14 9.060 9.060 8.483 0.577 19578
756 1 19 . 1 1 15 15 ILE N N 15 122.650 122.650 114.939 7.711 19578
757 1 19 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.599 0.551 19578
758 1 19 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.573 -1.403 19578
759 1 19 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.494 2.616 19578
760 1 19 . 1 1 15 15 ILE H H 15 8.130 8.130 8.120 0.010 19578
761 1 20 . 1 1 4 4 SER N N 4 115.060 115.060 116.157 -1.097 19578
762 1 20 . 1 1 4 4 SER HA H 4 4.360 4.360 4.624 -0.264 19578
763 1 20 . 1 1 4 4 SER CA C 4 59.100 59.100 58.910 0.190 19578
764 1 20 . 1 1 4 4 SER CB C 4 62.980 62.980 63.992 -1.012 19578
765 1 20 . 1 1 4 4 SER H H 4 8.450 8.450 8.556 -0.106 19578
766 1 20 . 1 1 5 5 ASP N N 5 123.200 123.200 123.144 0.056 19578
767 1 20 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.924 -0.044 19578
768 1 20 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.101 -0.211 19578
769 1 20 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.104 0.636 19578
770 1 20 . 1 1 5 5 ASP H H 5 7.620 7.620 8.039 -0.419 19578
771 1 20 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.506 -0.046 19578
772 1 20 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.762 0.598 19578
773 1 20 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.816 0.454 19578
774 1 20 . 1 1 10 10 TYR N N 10 119.390 119.390 119.029 0.361 19578
775 1 20 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.768 -0.228 19578
776 1 20 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.799 0.871 19578
777 1 20 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.129 -0.699 19578
778 1 20 . 1 1 10 10 TYR H H 10 8.030 8.030 7.108 0.922 19578
779 1 20 . 1 1 11 11 ASP N N 11 119.160 119.160 119.080 0.080 19578
780 1 20 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.520 -0.060 19578
781 1 20 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.242 -0.622 19578
782 1 20 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.577 -0.237 19578
783 1 20 . 1 1 11 11 ASP H H 11 8.360 8.360 8.482 -0.122 19578
784 1 20 . 1 1 12 12 HIS N N 12 115.970 115.970 114.772 1.198 19578
785 1 20 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.840 0.270 19578
786 1 20 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.675 -0.185 19578
787 1 20 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.813 -1.003 19578
788 1 20 . 1 1 12 12 HIS H H 12 7.770 7.770 8.090 -0.320 19578
789 1 20 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.571 -0.121 19578
790 1 20 . 1 1 13 13 PRO CA C 13 64.040 64.040 61.913 2.127 19578
791 1 20 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.419 -0.379 19578
792 1 20 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.227 0.143 19578
793 1 20 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.068 0.452 19578
794 1 20 . 1 1 14 14 GLU CB C 14 29.760 29.760 28.653 1.107 19578
795 1 20 . 1 1 14 14 GLU H H 14 9.060 9.060 8.628 0.432 19578
796 1 20 . 1 1 15 15 ILE N N 15 122.650 122.650 120.065 2.585 19578
797 1 20 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.585 0.565 19578
798 1 20 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.202 -1.032 19578
799 1 20 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.955 2.155 19578
800 1 20 . 1 1 15 15 ILE H H 15 8.130 8.130 8.108 0.022 19578
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 2.531 -0.646 2.681 19578
2 1 1 "Average Difference" HA 9 0.154 0.019 0.162 19578
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19578
4 1 1 "Average Difference" CA 9 0.888 -0.187 0.920 19578
5 1 1 "Average Difference" CB 9 1.167 -0.094 1.234 19578
6 1 1 "Average Difference" HN 7 0.607 -0.192 0.622 19578
7 1 2 "Average Difference" N 6 2.206 -0.558 2.338 19578
8 1 2 "Average Difference" HA 9 0.183 -0.082 0.174 19578
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19578
10 1 2 "Average Difference" CA 9 1.031 -0.091 1.090 19578
11 1 2 "Average Difference" CB 9 1.126 -0.268 1.160 19578
12 1 2 "Average Difference" HN 7 0.561 -0.225 0.556 19578
13 1 3 "Average Difference" N 6 3.574 -0.990 3.762 19578
14 1 3 "Average Difference" HA 9 0.237 -0.077 0.238 19578
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19578
16 1 3 "Average Difference" CA 9 0.979 -0.260 1.002 19578
17 1 3 "Average Difference" CB 9 0.927 -0.247 0.948 19578
18 1 3 "Average Difference" HN 7 0.356 -0.117 0.363 19578
19 1 4 "Average Difference" N 6 1.103 -0.076 1.206 19578
20 1 4 "Average Difference" HA 9 0.231 0.055 0.237 19578
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19578
22 1 4 "Average Difference" CA 9 1.150 -0.340 1.165 19578
23 1 4 "Average Difference" CB 9 1.089 0.383 1.081 19578
24 1 4 "Average Difference" HN 7 0.624 -0.043 0.672 19578
25 1 5 "Average Difference" N 6 2.788 -0.523 3.000 19578
26 1 5 "Average Difference" HA 9 0.258 -0.026 0.272 19578
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19578
28 1 5 "Average Difference" CA 9 0.830 -0.135 0.868 19578
29 1 5 "Average Difference" CB 9 1.236 -0.414 1.235 19578
30 1 5 "Average Difference" HN 7 0.464 -0.024 0.500 19578
31 1 6 "Average Difference" N 6 1.688 0.216 1.834 19578
32 1 6 "Average Difference" HA 9 0.196 0.073 0.193 19578
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19578
34 1 6 "Average Difference" CA 9 0.659 -0.119 0.688 19578
35 1 6 "Average Difference" CB 9 0.650 0.301 0.611 19578
36 1 6 "Average Difference" HN 7 0.542 -0.043 0.583 19578
37 1 7 "Average Difference" N 6 3.063 -1.075 3.142 19578
38 1 7 "Average Difference" HA 9 0.237 -0.043 0.247 19578
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19578
40 1 7 "Average Difference" CA 9 0.821 -0.167 0.852 19578
41 1 7 "Average Difference" CB 9 1.072 -0.274 1.100 19578
42 1 7 "Average Difference" HN 7 0.460 -0.170 0.461 19578
43 1 8 "Average Difference" N 6 1.343 0.044 1.470 19578
44 1 8 "Average Difference" HA 9 0.183 -0.076 0.177 19578
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19578
46 1 8 "Average Difference" CA 9 0.632 0.119 0.658 19578
47 1 8 "Average Difference" CB 9 0.931 -0.029 0.987 19578
48 1 8 "Average Difference" HN 7 0.438 0.004 0.473 19578
49 1 9 "Average Difference" N 6 1.088 0.440 1.090 19578
50 1 9 "Average Difference" HA 9 0.257 0.016 0.272 19578
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19578
52 1 9 "Average Difference" CA 9 0.941 -0.375 0.916 19578
53 1 9 "Average Difference" CB 9 0.826 -0.053 0.874 19578
54 1 9 "Average Difference" HN 7 0.491 0.010 0.530 19578
55 1 10 "Average Difference" N 6 4.143 -1.791 4.092 19578
56 1 10 "Average Difference" HA 9 0.255 -0.077 0.257 19578
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19578
58 1 10 "Average Difference" CA 9 1.046 0.048 1.109 19578
59 1 10 "Average Difference" CB 9 1.484 -0.424 1.508 19578
60 1 10 "Average Difference" HN 7 0.358 -0.101 0.371 19578
61 1 11 "Average Difference" N 6 1.794 -0.099 1.962 19578
62 1 11 "Average Difference" HA 9 0.243 -0.052 0.252 19578
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19578
64 1 11 "Average Difference" CA 9 1.030 -0.418 0.999 19578
65 1 11 "Average Difference" CB 9 1.038 0.184 1.084 19578
66 1 11 "Average Difference" HN 7 0.483 -0.003 0.522 19578
67 1 12 "Average Difference" N 6 2.406 -0.792 2.488 19578
68 1 12 "Average Difference" HA 9 0.223 0.001 0.236 19578
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19578
70 1 12 "Average Difference" CA 9 0.622 -0.171 0.634 19578
71 1 12 "Average Difference" CB 9 0.961 -0.042 1.019 19578
72 1 12 "Average Difference" HN 7 0.506 -0.169 0.516 19578
73 1 13 "Average Difference" N 6 2.868 -0.761 3.029 19578
74 1 13 "Average Difference" HA 9 0.238 -0.064 0.244 19578
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19578
76 1 13 "Average Difference" CA 9 0.832 0.004 0.883 19578
77 1 13 "Average Difference" CB 9 1.080 -0.188 1.128 19578
78 1 13 "Average Difference" HN 7 0.472 -0.002 0.510 19578
79 1 14 "Average Difference" N 6 2.238 -0.167 2.445 19578
80 1 14 "Average Difference" HA 9 0.137 0.040 0.139 19578
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19578
82 1 14 "Average Difference" CA 9 0.981 -0.317 0.985 19578
83 1 14 "Average Difference" CB 9 1.252 0.095 1.324 19578
84 1 14 "Average Difference" HN 7 0.626 -0.037 0.675 19578
85 1 15 "Average Difference" N 6 1.858 -0.042 2.035 19578
86 1 15 "Average Difference" HA 9 0.206 -0.005 0.218 19578
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19578
88 1 15 "Average Difference" CA 9 0.896 -0.133 0.940 19578
89 1 15 "Average Difference" CB 9 1.041 -0.234 1.076 19578
90 1 15 "Average Difference" HN 7 0.381 -0.020 0.411 19578
91 1 16 "Average Difference" N 6 1.308 0.566 1.292 19578
92 1 16 "Average Difference" HA 9 0.150 0.001 0.160 19578
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19578
94 1 16 "Average Difference" CA 9 0.881 -0.222 0.904 19578
95 1 16 "Average Difference" CB 9 1.352 -0.185 1.420 19578
96 1 16 "Average Difference" HN 7 0.454 0.062 0.485 19578
97 1 17 "Average Difference" N 6 3.370 -0.810 3.583 19578
98 1 17 "Average Difference" HA 9 0.230 -0.061 0.235 19578
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19578
100 1 17 "Average Difference" CA 9 0.974 -0.068 1.031 19578
101 1 17 "Average Difference" CB 9 1.158 -0.089 1.225 19578
102 1 17 "Average Difference" HN 7 0.424 -0.096 0.446 19578
103 1 18 "Average Difference" N 6 2.499 -0.203 2.728 19578
104 1 18 "Average Difference" HA 9 0.197 -0.040 0.204 19578
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19578
106 1 18 "Average Difference" CA 9 0.877 -0.022 0.930 19578
107 1 18 "Average Difference" CB 9 1.078 -0.292 1.101 19578
108 1 18 "Average Difference" HN 7 0.185 -0.036 0.196 19578
109 1 19 "Average Difference" N 6 3.961 -1.387 4.064 19578
110 1 19 "Average Difference" HA 9 0.246 -0.088 0.244 19578
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19578
112 1 19 "Average Difference" CA 9 0.956 0.261 0.976 19578
113 1 19 "Average Difference" CB 9 1.043 -0.099 1.101 19578
114 1 19 "Average Difference" HN 7 0.389 -0.042 0.417 19578
115 1 20 "Average Difference" N 6 1.256 -0.530 1.247 19578
116 1 20 "Average Difference" HA 9 0.249 -0.024 0.263 19578
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19578
118 1 20 "Average Difference" CA 9 0.907 -0.243 0.927 19578
119 1 20 "Average Difference" CB 9 1.011 -0.114 1.065 19578
120 1 20 "Average Difference" HN 7 0.438 -0.058 0.469 19578
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 19578
_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 4 115.060 115.060 116.463 -1.403 19578
2 1 . 1 1 4 4 SER HA H 4 4.360 4.360 4.482 -0.122 19578
3 1 . 1 1 4 4 SER CA C 4 59.100 59.100 59.041 0.058 19578
4 1 . 1 1 4 4 SER CB C 4 62.980 62.980 63.804 -0.824 19578
5 1 . 1 1 4 4 SER H H 4 8.450 8.450 8.446 0.004 19578
6 1 . 1 1 5 5 ASP N N 5 123.200 123.200 123.434 -0.234 19578
7 1 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.021 -0.141 19578
8 1 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.058 -0.168 19578
9 1 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.252 0.488 19578
10 1 . 1 1 5 5 ASP H H 5 7.620 7.620 7.900 -0.280 19578
11 1 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.510 -0.050 19578
12 1 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.289 1.071 19578
13 1 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.043 0.227 19578
14 1 . 1 1 10 10 TYR N N 10 119.390 119.390 121.323 -1.933 19578
15 1 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.644 -0.104 19578
16 1 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.413 1.257 19578
17 1 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.942 -0.512 19578
18 1 . 1 1 10 10 TYR H H 10 8.030 8.030 7.276 0.754 19578
19 1 . 1 1 11 11 ASP N N 11 119.160 119.160 118.772 0.388 19578
20 1 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.526 -0.066 19578
21 1 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.563 -0.943 19578
22 1 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.806 -0.466 19578
23 1 . 1 1 11 11 ASP H H 11 8.360 8.360 8.554 -0.194 19578
24 1 . 1 1 12 12 HIS N N 12 115.970 115.970 112.501 3.469 19578
25 1 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.822 0.288 19578
26 1 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.180 -0.690 19578
27 1 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.378 -0.568 19578
28 1 . 1 1 12 12 HIS H H 12 7.770 7.770 8.033 -0.263 19578
29 1 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.525 -0.075 19578
30 1 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.025 1.015 19578
31 1 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.010 0.030 19578
32 1 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.238 0.132 19578
33 1 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.306 0.214 19578
34 1 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.732 0.028 19578
35 1 . 1 1 14 14 GLU H H 14 9.060 9.060 8.383 0.677 19578
36 1 . 1 1 15 15 ILE N N 15 122.650 122.650 120.182 2.468 19578
37 1 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.781 0.369 19578
38 1 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.709 -0.539 19578
39 1 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.577 2.533 19578
40 1 . 1 1 15 15 ILE H H 15 8.130 8.130 8.371 -0.241 19578
stop_
save_