data_19482
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19482
_Entry.PDB_ID 2MDA
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 19482
_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 66 66 PHE N N 66 122.582 122.582 120.062 2.520 19482
2 1 1 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.710 0.707 19482
3 1 1 . 1 1 66 66 PHE C C 66 174.032 174.032 175.026 -0.994 19482
4 1 1 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.350 -2.634 19482
5 1 1 . 1 1 66 66 PHE H H 66 8.956 8.956 8.240 0.716 19482
6 1 1 . 1 1 67 67 VAL N N 67 125.787 125.787 125.209 0.578 19482
7 1 1 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.439 0.562 19482
8 1 1 . 1 1 67 67 VAL C C 67 172.630 172.630 176.139 -3.509 19482
9 1 1 . 1 1 67 67 VAL CA C 67 59.022 59.022 60.815 -1.792 19482
10 1 1 . 1 1 67 67 VAL CB C 67 35.886 35.886 33.135 2.751 19482
11 1 1 . 1 1 67 67 VAL H H 67 8.954 8.954 8.433 0.521 19482
12 1 1 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.294 1.356 19482
13 1 1 . 1 1 68 68 ARG C C 68 176.368 176.368 175.903 0.465 19482
14 1 1 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.767 -3.401 19482
15 1 1 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.531 2.344 19482
16 1 1 . 1 1 69 69 PHE N N 69 124.425 124.425 117.952 6.473 19482
17 1 1 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.796 0.777 19482
18 1 1 . 1 1 69 69 PHE C C 69 170.242 170.242 176.053 -5.811 19482
19 1 1 . 1 1 69 69 PHE CA C 69 55.423 55.423 57.079 -1.656 19482
20 1 1 . 1 1 69 69 PHE CB C 69 42.260 42.260 37.612 4.648 19482
21 1 1 . 1 1 69 69 PHE H H 69 9.058 9.058 8.003 1.055 19482
22 1 1 . 1 1 70 70 GLU N N 70 116.577 116.577 120.926 -4.349 19482
23 1 1 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.258 1.663 19482
24 1 1 . 1 1 70 70 GLU C C 70 174.811 174.811 176.717 -1.906 19482
25 1 1 . 1 1 70 70 GLU CA C 70 52.932 52.932 56.414 -3.482 19482
26 1 1 . 1 1 70 70 GLU CB C 70 36.143 36.143 31.579 4.564 19482
27 1 1 . 1 1 70 70 GLU H H 70 8.572 8.572 7.270 1.302 19482
28 1 1 . 1 1 71 71 VAL N N 71 121.977 121.977 120.877 1.100 19482
29 1 1 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.039 0.961 19482
30 1 1 . 1 1 71 71 VAL C C 71 170.605 170.605 175.104 -4.499 19482
31 1 1 . 1 1 71 71 VAL CA C 71 57.919 57.919 63.812 -5.894 19482
32 1 1 . 1 1 71 71 VAL CB C 71 37.049 37.049 32.159 4.890 19482
33 1 1 . 1 1 71 71 VAL H H 71 8.882 8.882 8.500 0.382 19482
34 1 1 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.288 0.626 19482
35 1 1 . 1 1 72 72 PRO C C 72 179.275 179.275 177.407 1.868 19482
36 1 1 . 1 1 72 72 PRO CA C 72 64.579 64.579 63.687 0.892 19482
37 1 1 . 1 1 72 72 PRO CB C 72 31.924 31.924 29.588 2.336 19482
38 1 1 . 1 1 73 73 SER N N 73 120.533 120.533 117.768 2.765 19482
39 1 1 . 1 1 73 73 SER HA H 73 3.699 3.699 5.010 -1.311 19482
40 1 1 . 1 1 73 73 SER C C 73 177.355 177.355 172.294 5.061 19482
41 1 1 . 1 1 73 73 SER CA C 73 62.666 62.666 56.510 6.156 19482
42 1 1 . 1 1 73 73 SER CB C 73 62.640 62.640 66.094 -3.454 19482
43 1 1 . 1 1 73 73 SER H H 73 8.932 8.932 7.613 1.319 19482
44 1 1 . 1 1 74 74 GLY N N 74 108.957 108.957 104.053 4.904 19482
45 1 1 . 1 1 74 74 GLY C C 74 174.603 174.603 172.340 2.263 19482
46 1 1 . 1 1 74 74 GLY CA C 74 46.308 46.308 44.154 2.154 19482
47 1 1 . 1 1 74 74 GLY H H 74 9.046 9.046 8.146 0.900 19482
48 1 1 . 1 1 75 75 ASP N N 75 118.276 118.276 118.151 0.125 19482
49 1 1 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.615 0.403 19482
50 1 1 . 1 1 75 75 ASP C C 75 175.486 175.486 173.571 1.915 19482
51 1 1 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.288 2.453 19482
52 1 1 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.300 -1.400 19482
53 1 1 . 1 1 75 75 ASP H H 75 7.873 7.873 8.703 -0.830 19482
54 1 1 . 1 1 76 76 LEU N N 76 120.899 120.899 120.336 0.563 19482
55 1 1 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.978 -1.349 19482
56 1 1 . 1 1 76 76 LEU C C 76 176.991 176.991 175.527 1.464 19482
57 1 1 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.667 5.312 19482
58 1 1 . 1 1 76 76 LEU CB C 76 41.622 41.622 45.000 -3.378 19482
59 1 1 . 1 1 76 76 LEU H H 76 7.126 7.126 8.356 -1.230 19482
60 1 1 . 1 1 77 77 ALA N N 77 119.926 119.926 126.612 -6.686 19482
61 1 1 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.575 -0.842 19482
62 1 1 . 1 1 77 77 ALA C C 77 180.158 180.158 176.965 3.193 19482
63 1 1 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.149 4.685 19482
64 1 1 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.551 -4.247 19482
65 1 1 . 1 1 77 77 ALA H H 77 8.680 8.680 8.870 -0.190 19482
66 1 1 . 1 1 78 78 ALA N N 78 121.891 121.891 128.497 -6.606 19482
67 1 1 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.042 -0.100 19482
68 1 1 . 1 1 78 78 ALA C C 78 180.002 180.002 177.399 2.603 19482
69 1 1 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.096 1.645 19482
70 1 1 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.636 -0.239 19482
71 1 1 . 1 1 78 78 ALA H H 78 8.056 8.056 8.870 -0.814 19482
72 1 1 . 1 1 79 79 LEU N N 79 123.051 123.051 115.783 7.268 19482
73 1 1 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.017 -1.136 19482
74 1 1 . 1 1 79 79 LEU C C 79 178.704 178.704 175.141 3.563 19482
75 1 1 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.483 4.329 19482
76 1 1 . 1 1 79 79 LEU H H 79 7.775 7.775 8.270 -0.495 19482
77 1 1 . 1 1 80 80 LEU N N 80 120.108 120.108 118.550 1.558 19482
78 1 1 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.450 -0.873 19482
79 1 1 . 1 1 80 80 LEU C C 80 179.224 179.224 173.904 5.320 19482
80 1 1 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.991 3.590 19482
81 1 1 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.626 -3.481 19482
82 1 1 . 1 1 80 80 LEU H H 80 8.546 8.546 7.798 0.748 19482
83 1 1 . 1 1 81 81 SER N N 81 113.635 113.635 113.782 -0.147 19482
84 1 1 . 1 1 81 81 SER HA H 81 4.041 4.041 5.243 -1.202 19482
85 1 1 . 1 1 81 81 SER C C 81 176.939 176.939 172.784 4.155 19482
86 1 1 . 1 1 81 81 SER CA C 81 62.029 62.029 56.644 5.385 19482
87 1 1 . 1 1 81 81 SER CB C 81 62.708 62.708 65.931 -3.224 19482
88 1 1 . 1 1 81 81 SER H H 81 8.117 8.117 9.050 -0.933 19482
89 1 1 . 1 1 82 82 SER N N 82 117.004 117.004 121.449 -4.445 19482
90 1 1 . 1 1 82 82 SER HA H 82 4.155 4.155 5.106 -0.951 19482
91 1 1 . 1 1 82 82 SER C C 82 177.355 177.355 173.869 3.486 19482
92 1 1 . 1 1 82 82 SER CA C 82 62.600 62.600 57.199 5.401 19482
93 1 1 . 1 1 82 82 SER CB C 82 63.330 63.330 63.563 -0.233 19482
94 1 1 . 1 1 82 82 SER H H 82 7.704 7.704 8.294 -0.590 19482
95 1 1 . 1 1 83 83 VAL N N 83 123.259 123.259 120.419 2.840 19482
96 1 1 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.639 -1.253 19482
97 1 1 . 1 1 83 83 VAL C C 83 178.601 178.601 173.252 5.349 19482
98 1 1 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.067 5.425 19482
99 1 1 . 1 1 83 83 VAL CB C 83 31.240 31.240 33.725 -2.485 19482
100 1 1 . 1 1 83 83 VAL H H 83 8.666 8.666 8.404 0.262 19482
101 1 1 . 1 1 84 84 ARG N N 84 119.832 119.832 117.422 2.410 19482
102 1 1 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.252 -1.067 19482
103 1 1 . 1 1 84 84 ARG C C 84 176.887 176.887 175.103 1.784 19482
104 1 1 . 1 1 84 84 ARG CA C 84 58.977 58.977 55.036 3.941 19482
105 1 1 . 1 1 84 84 ARG CB C 84 29.912 29.912 34.212 -4.300 19482
106 1 1 . 1 1 84 84 ARG H H 84 8.075 8.075 8.448 -0.373 19482
107 1 1 . 1 1 85 85 ARG N N 85 115.505 115.505 120.099 -4.594 19482
108 1 1 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.754 -0.517 19482
109 1 1 . 1 1 85 85 ARG C C 85 177.666 177.666 174.708 2.958 19482
110 1 1 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.867 2.087 19482
111 1 1 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.880 -2.050 19482
112 1 1 . 1 1 85 85 ARG H H 85 7.190 7.190 8.650 -1.460 19482
113 1 1 . 1 1 86 86 VAL N N 86 111.155 111.155 121.691 -10.536 19482
114 1 1 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.412 -0.960 19482
115 1 1 . 1 1 86 86 VAL C C 86 174.188 174.188 175.013 -0.825 19482
116 1 1 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.875 -0.258 19482
117 1 1 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.835 -1.955 19482
118 1 1 . 1 1 86 86 VAL H H 86 7.278 7.278 8.741 -1.463 19482
119 1 1 . 1 1 87 87 SER N N 87 115.486 115.486 118.045 -2.559 19482
120 1 1 . 1 1 87 87 SER HA H 87 4.827 4.827 4.656 0.171 19482
121 1 1 . 1 1 87 87 SER C C 87 172.474 172.474 171.937 0.537 19482
122 1 1 . 1 1 87 87 SER CA C 87 57.870 57.870 57.376 0.494 19482
123 1 1 . 1 1 87 87 SER CB C 87 65.262 65.262 67.135 -1.873 19482
124 1 1 . 1 1 87 87 SER H H 87 7.636 7.636 8.340 -0.704 19482
125 1 1 . 1 1 88 88 ASP N N 88 120.900 120.900 124.434 -3.534 19482
126 1 1 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.661 0.305 19482
127 1 1 . 1 1 88 88 ASP C C 88 175.399 175.399 174.219 1.180 19482
128 1 1 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.406 1.394 19482
129 1 1 . 1 1 88 88 ASP CB C 88 43.700 43.700 43.498 0.202 19482
130 1 1 . 1 1 88 88 ASP H H 88 8.840 8.840 8.544 0.296 19482
131 1 1 . 1 1 89 89 ASP N N 89 118.474 118.474 118.314 0.160 19482
132 1 1 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.922 -0.442 19482
133 1 1 . 1 1 89 89 ASP C C 89 174.343 174.343 175.629 -1.286 19482
134 1 1 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.818 1.521 19482
135 1 1 . 1 1 89 89 ASP CB C 89 40.674 40.674 43.285 -2.611 19482
136 1 1 . 1 1 89 89 ASP H H 89 8.495 8.495 8.052 0.443 19482
137 1 1 . 1 1 90 90 VAL N N 90 119.779 119.779 120.816 -1.037 19482
138 1 1 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.189 0.536 19482
139 1 1 . 1 1 90 90 VAL C C 90 176.680 176.680 176.013 0.667 19482
140 1 1 . 1 1 90 90 VAL CA C 90 62.693 62.693 62.175 0.518 19482
141 1 1 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.519 -0.219 19482
142 1 1 . 1 1 90 90 VAL H H 90 7.997 7.997 8.458 -0.461 19482
143 1 1 . 1 1 91 91 ARG N N 91 126.330 126.330 118.870 7.460 19482
144 1 1 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.097 0.664 19482
145 1 1 . 1 1 91 91 ARG C C 91 174.084 174.084 175.438 -1.354 19482
146 1 1 . 1 1 91 91 ARG CA C 91 55.085 55.085 56.384 -1.299 19482
147 1 1 . 1 1 91 91 ARG H H 91 9.183 9.183 8.444 0.739 19482
148 1 1 . 1 1 92 92 SER N N 92 115.701 115.701 110.233 5.468 19482
149 1 1 . 1 1 92 92 SER HA H 92 4.995 4.995 4.495 0.500 19482
150 1 1 . 1 1 92 92 SER C C 92 173.616 173.616 174.898 -1.282 19482
151 1 1 . 1 1 92 92 SER CA C 92 59.519 59.519 58.217 1.302 19482
152 1 1 . 1 1 92 92 SER CB C 92 64.634 64.634 64.256 0.378 19482
153 1 1 . 1 1 92 92 SER H H 92 8.740 8.740 7.932 0.808 19482
154 1 1 . 1 1 93 93 ALA N N 93 130.939 130.939 123.985 6.954 19482
155 1 1 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.580 -0.262 19482
156 1 1 . 1 1 93 93 ALA C C 93 181.664 181.664 176.307 5.357 19482
157 1 1 . 1 1 93 93 ALA CA C 93 53.234 53.234 52.614 0.620 19482
158 1 1 . 1 1 93 93 ALA CB C 93 21.573 21.573 17.344 4.229 19482
159 1 1 . 1 1 93 93 ALA H H 93 7.820 7.820 8.146 -0.326 19482
160 1 2 . 1 1 66 66 PHE N N 66 122.582 122.582 120.869 1.713 19482
161 1 2 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.857 0.560 19482
162 1 2 . 1 1 66 66 PHE C C 66 174.032 174.032 173.449 0.583 19482
163 1 2 . 1 1 66 66 PHE CA C 66 55.716 55.716 57.075 -1.359 19482
164 1 2 . 1 1 66 66 PHE H H 66 8.956 8.956 8.475 0.481 19482
165 1 2 . 1 1 67 67 VAL N N 67 125.787 125.787 122.291 3.496 19482
166 1 2 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.118 0.883 19482
167 1 2 . 1 1 67 67 VAL C C 67 172.630 172.630 175.639 -3.009 19482
168 1 2 . 1 1 67 67 VAL CA C 67 59.022 59.022 60.645 -1.623 19482
169 1 2 . 1 1 67 67 VAL CB C 67 35.886 35.886 32.418 3.468 19482
170 1 2 . 1 1 67 67 VAL H H 67 8.954 8.954 8.210 0.744 19482
171 1 2 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.308 1.342 19482
172 1 2 . 1 1 68 68 ARG C C 68 176.368 176.368 176.130 0.238 19482
173 1 2 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.787 -3.421 19482
174 1 2 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.771 2.104 19482
175 1 2 . 1 1 69 69 PHE N N 69 124.425 124.425 116.968 7.457 19482
176 1 2 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.709 0.864 19482
177 1 2 . 1 1 69 69 PHE C C 69 170.242 170.242 176.713 -6.471 19482
178 1 2 . 1 1 69 69 PHE CA C 69 55.423 55.423 58.305 -2.882 19482
179 1 2 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.150 4.110 19482
180 1 2 . 1 1 69 69 PHE H H 69 9.058 9.058 7.905 1.153 19482
181 1 2 . 1 1 70 70 GLU N N 70 116.577 116.577 119.487 -2.910 19482
182 1 2 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.232 1.689 19482
183 1 2 . 1 1 70 70 GLU C C 70 174.811 174.811 176.469 -1.658 19482
184 1 2 . 1 1 70 70 GLU CA C 70 52.932 52.932 56.617 -3.685 19482
185 1 2 . 1 1 70 70 GLU CB C 70 36.143 36.143 30.580 5.563 19482
186 1 2 . 1 1 70 70 GLU H H 70 8.572 8.572 8.085 0.487 19482
187 1 2 . 1 1 71 71 VAL N N 71 121.977 121.977 119.331 2.646 19482
188 1 2 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.306 0.694 19482
189 1 2 . 1 1 71 71 VAL C C 71 170.605 170.605 174.334 -3.729 19482
190 1 2 . 1 1 71 71 VAL CA C 71 57.919 57.919 62.656 -4.737 19482
191 1 2 . 1 1 71 71 VAL CB C 71 37.049 37.049 33.670 3.379 19482
192 1 2 . 1 1 71 71 VAL H H 71 8.882 8.882 8.413 0.469 19482
193 1 2 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.743 0.171 19482
194 1 2 . 1 1 72 72 PRO C C 72 179.275 179.275 176.360 2.915 19482
195 1 2 . 1 1 72 72 PRO CA C 72 64.579 64.579 62.761 1.818 19482
196 1 2 . 1 1 72 72 PRO CB C 72 31.924 31.924 34.810 -2.886 19482
197 1 2 . 1 1 73 73 SER N N 73 120.533 120.533 115.854 4.679 19482
198 1 2 . 1 1 73 73 SER HA H 73 3.699 3.699 4.949 -1.250 19482
199 1 2 . 1 1 73 73 SER C C 73 177.355 177.355 172.212 5.143 19482
200 1 2 . 1 1 73 73 SER CA C 73 62.666 62.666 57.336 5.330 19482
201 1 2 . 1 1 73 73 SER CB C 73 62.640 62.640 66.188 -3.548 19482
202 1 2 . 1 1 73 73 SER H H 73 8.932 8.932 8.178 0.754 19482
203 1 2 . 1 1 74 74 GLY N N 74 108.957 108.957 109.387 -0.430 19482
204 1 2 . 1 1 74 74 GLY C C 74 174.603 174.603 172.736 1.867 19482
205 1 2 . 1 1 74 74 GLY CA C 74 46.308 46.308 45.162 1.146 19482
206 1 2 . 1 1 74 74 GLY H H 74 9.046 9.046 8.338 0.708 19482
207 1 2 . 1 1 75 75 ASP N N 75 118.276 118.276 121.369 -3.093 19482
208 1 2 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.461 0.557 19482
209 1 2 . 1 1 75 75 ASP C C 75 175.486 175.486 173.257 2.229 19482
210 1 2 . 1 1 75 75 ASP CA C 75 54.741 54.741 51.952 2.789 19482
211 1 2 . 1 1 75 75 ASP CB C 75 42.900 42.900 43.462 -0.562 19482
212 1 2 . 1 1 75 75 ASP H H 75 7.873 7.873 5.881 1.992 19482
213 1 2 . 1 1 76 76 LEU N N 76 120.899 120.899 122.959 -2.060 19482
214 1 2 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.485 -0.856 19482
215 1 2 . 1 1 76 76 LEU C C 76 176.991 176.991 176.231 0.760 19482
216 1 2 . 1 1 76 76 LEU CA C 76 58.979 58.979 54.737 4.242 19482
217 1 2 . 1 1 76 76 LEU CB C 76 41.622 41.622 43.387 -1.765 19482
218 1 2 . 1 1 76 76 LEU H H 76 7.126 7.126 8.328 -1.202 19482
219 1 2 . 1 1 77 77 ALA N N 77 119.926 119.926 123.950 -4.024 19482
220 1 2 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.565 -0.832 19482
221 1 2 . 1 1 77 77 ALA C C 77 180.158 180.158 176.884 3.274 19482
222 1 2 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.287 4.547 19482
223 1 2 . 1 1 77 77 ALA CB C 77 17.304 17.304 20.850 -3.546 19482
224 1 2 . 1 1 77 77 ALA H H 77 8.680 8.680 9.106 -0.426 19482
225 1 2 . 1 1 78 78 ALA N N 78 121.891 121.891 129.713 -7.822 19482
226 1 2 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.041 -0.099 19482
227 1 2 . 1 1 78 78 ALA C C 78 180.002 180.002 177.403 2.599 19482
228 1 2 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.025 1.716 19482
229 1 2 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.626 -0.229 19482
230 1 2 . 1 1 78 78 ALA H H 78 8.056 8.056 8.900 -0.844 19482
231 1 2 . 1 1 79 79 LEU N N 79 123.051 123.051 115.481 7.570 19482
232 1 2 . 1 1 79 79 LEU HA H 79 2.881 2.881 3.997 -1.116 19482
233 1 2 . 1 1 79 79 LEU C C 79 178.704 178.704 175.088 3.616 19482
234 1 2 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.535 4.277 19482
235 1 2 . 1 1 79 79 LEU H H 79 7.775 7.775 8.251 -0.476 19482
236 1 2 . 1 1 80 80 LEU N N 80 120.108 120.108 119.083 1.025 19482
237 1 2 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.629 -1.052 19482
238 1 2 . 1 1 80 80 LEU C C 80 179.224 179.224 173.942 5.282 19482
239 1 2 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.612 3.969 19482
240 1 2 . 1 1 80 80 LEU CB C 80 41.145 41.145 45.176 -4.031 19482
241 1 2 . 1 1 80 80 LEU H H 80 8.546 8.546 7.755 0.791 19482
242 1 2 . 1 1 81 81 SER N N 81 113.635 113.635 114.851 -1.216 19482
243 1 2 . 1 1 81 81 SER HA H 81 4.041 4.041 5.128 -1.087 19482
244 1 2 . 1 1 81 81 SER C C 81 176.939 176.939 172.338 4.601 19482
245 1 2 . 1 1 81 81 SER CA C 81 62.029 62.029 56.779 5.250 19482
246 1 2 . 1 1 81 81 SER CB C 81 62.708 62.708 65.460 -2.752 19482
247 1 2 . 1 1 81 81 SER H H 81 8.117 8.117 9.160 -1.043 19482
248 1 2 . 1 1 82 82 SER N N 82 117.004 117.004 121.605 -4.601 19482
249 1 2 . 1 1 82 82 SER HA H 82 4.155 4.155 4.992 -0.837 19482
250 1 2 . 1 1 82 82 SER C C 82 177.355 177.355 173.663 3.692 19482
251 1 2 . 1 1 82 82 SER CA C 82 62.600 62.600 56.701 5.899 19482
252 1 2 . 1 1 82 82 SER CB C 82 63.330 63.330 62.772 0.558 19482
253 1 2 . 1 1 82 82 SER H H 82 7.704 7.704 9.124 -1.420 19482
254 1 2 . 1 1 83 83 VAL N N 83 123.259 123.259 120.217 3.042 19482
255 1 2 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.361 -0.975 19482
256 1 2 . 1 1 83 83 VAL C C 83 178.601 178.601 173.080 5.521 19482
257 1 2 . 1 1 83 83 VAL CA C 83 66.492 66.492 60.151 6.341 19482
258 1 2 . 1 1 83 83 VAL CB C 83 31.240 31.240 32.997 -1.757 19482
259 1 2 . 1 1 83 83 VAL H H 83 8.666 8.666 8.462 0.204 19482
260 1 2 . 1 1 84 84 ARG N N 84 119.832 119.832 118.129 1.703 19482
261 1 2 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.303 -1.118 19482
262 1 2 . 1 1 84 84 ARG C C 84 176.887 176.887 175.417 1.470 19482
263 1 2 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.914 4.063 19482
264 1 2 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.412 -3.500 19482
265 1 2 . 1 1 84 84 ARG H H 84 8.075 8.075 8.217 -0.142 19482
266 1 2 . 1 1 85 85 ARG N N 85 115.505 115.505 121.688 -6.183 19482
267 1 2 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.675 -0.438 19482
268 1 2 . 1 1 85 85 ARG C C 85 177.666 177.666 174.754 2.912 19482
269 1 2 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.784 2.170 19482
270 1 2 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.566 -1.736 19482
271 1 2 . 1 1 85 85 ARG H H 85 7.190 7.190 8.313 -1.123 19482
272 1 2 . 1 1 86 86 VAL N N 86 111.155 111.155 122.414 -11.259 19482
273 1 2 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.483 -1.031 19482
274 1 2 . 1 1 86 86 VAL C C 86 174.188 174.188 175.108 -0.920 19482
275 1 2 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.863 -0.246 19482
276 1 2 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.619 -1.739 19482
277 1 2 . 1 1 86 86 VAL H H 86 7.278 7.278 8.642 -1.364 19482
278 1 2 . 1 1 87 87 SER N N 87 115.486 115.486 117.329 -1.843 19482
279 1 2 . 1 1 87 87 SER HA H 87 4.827 4.827 4.657 0.170 19482
280 1 2 . 1 1 87 87 SER C C 87 172.474 172.474 172.127 0.347 19482
281 1 2 . 1 1 87 87 SER CA C 87 57.870 57.870 57.631 0.239 19482
282 1 2 . 1 1 87 87 SER CB C 87 65.262 65.262 64.589 0.673 19482
283 1 2 . 1 1 87 87 SER H H 87 7.636 7.636 8.126 -0.490 19482
284 1 2 . 1 1 88 88 ASP N N 88 120.900 120.900 125.814 -4.914 19482
285 1 2 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.735 0.231 19482
286 1 2 . 1 1 88 88 ASP C C 88 175.399 175.399 174.577 0.822 19482
287 1 2 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.131 1.669 19482
288 1 2 . 1 1 88 88 ASP CB C 88 43.700 43.700 43.541 0.159 19482
289 1 2 . 1 1 88 88 ASP H H 88 8.840 8.840 8.293 0.547 19482
290 1 2 . 1 1 89 89 ASP N N 89 118.474 118.474 114.964 3.510 19482
291 1 2 . 1 1 89 89 ASP HA H 89 4.480 4.480 5.095 -0.615 19482
292 1 2 . 1 1 89 89 ASP C C 89 174.343 174.343 174.976 -0.633 19482
293 1 2 . 1 1 89 89 ASP CA C 89 54.339 54.339 53.549 0.790 19482
294 1 2 . 1 1 89 89 ASP CB C 89 40.674 40.674 42.744 -2.070 19482
295 1 2 . 1 1 89 89 ASP H H 89 8.495 8.495 8.184 0.311 19482
296 1 2 . 1 1 90 90 VAL N N 90 119.779 119.779 117.609 2.170 19482
297 1 2 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.123 0.602 19482
298 1 2 . 1 1 90 90 VAL C C 90 176.680 176.680 175.801 0.879 19482
299 1 2 . 1 1 90 90 VAL CA C 90 62.693 62.693 61.752 0.941 19482
300 1 2 . 1 1 90 90 VAL CB C 90 32.300 32.300 31.301 0.999 19482
301 1 2 . 1 1 90 90 VAL H H 90 7.997 7.997 8.222 -0.225 19482
302 1 2 . 1 1 91 91 ARG N N 91 126.330 126.330 121.269 5.061 19482
303 1 2 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.325 0.436 19482
304 1 2 . 1 1 91 91 ARG C C 91 174.084 174.084 176.160 -2.076 19482
305 1 2 . 1 1 91 91 ARG CA C 91 55.085 55.085 55.912 -0.827 19482
306 1 2 . 1 1 91 91 ARG H H 91 9.183 9.183 8.257 0.926 19482
307 1 2 . 1 1 92 92 SER N N 92 115.701 115.701 115.723 -0.022 19482
308 1 2 . 1 1 92 92 SER HA H 92 4.995 4.995 4.230 0.765 19482
309 1 2 . 1 1 92 92 SER C C 92 173.616 173.616 173.363 0.253 19482
310 1 2 . 1 1 92 92 SER CA C 92 59.519 59.519 59.427 0.092 19482
311 1 2 . 1 1 92 92 SER CB C 92 64.634 64.634 61.999 2.635 19482
312 1 2 . 1 1 92 92 SER H H 92 8.740 8.740 8.327 0.413 19482
313 1 2 . 1 1 93 93 ALA N N 93 130.939 130.939 125.577 5.362 19482
314 1 2 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.753 -0.434 19482
315 1 2 . 1 1 93 93 ALA C C 93 181.664 181.664 175.156 6.508 19482
316 1 2 . 1 1 93 93 ALA CA C 93 53.234 53.234 49.508 3.726 19482
317 1 2 . 1 1 93 93 ALA CB C 93 21.573 21.573 21.207 0.366 19482
318 1 2 . 1 1 93 93 ALA H H 93 7.820 7.820 8.202 -0.382 19482
319 1 3 . 1 1 66 66 PHE N N 66 122.582 122.582 119.928 2.654 19482
320 1 3 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.464 0.953 19482
321 1 3 . 1 1 66 66 PHE C C 66 174.032 174.032 173.351 0.681 19482
322 1 3 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.858 -3.142 19482
323 1 3 . 1 1 66 66 PHE H H 66 8.956 8.956 8.480 0.476 19482
324 1 3 . 1 1 67 67 VAL N N 67 125.787 125.787 118.883 6.904 19482
325 1 3 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.487 0.514 19482
326 1 3 . 1 1 67 67 VAL C C 67 172.630 172.630 174.456 -1.826 19482
327 1 3 . 1 1 67 67 VAL CA C 67 59.022 59.022 60.810 -1.788 19482
328 1 3 . 1 1 67 67 VAL CB C 67 35.886 35.886 31.396 4.490 19482
329 1 3 . 1 1 67 67 VAL H H 67 8.954 8.954 7.938 1.016 19482
330 1 3 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.224 1.426 19482
331 1 3 . 1 1 68 68 ARG C C 68 176.368 176.368 176.322 0.046 19482
332 1 3 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.699 -3.333 19482
333 1 3 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.683 2.192 19482
334 1 3 . 1 1 69 69 PHE N N 69 124.425 124.425 118.658 5.767 19482
335 1 3 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.558 1.015 19482
336 1 3 . 1 1 69 69 PHE C C 69 170.242 170.242 176.319 -6.077 19482
337 1 3 . 1 1 69 69 PHE CA C 69 55.423 55.423 58.168 -2.745 19482
338 1 3 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.727 3.533 19482
339 1 3 . 1 1 69 69 PHE H H 69 9.058 9.058 7.953 1.105 19482
340 1 3 . 1 1 70 70 GLU N N 70 116.577 116.577 115.763 0.814 19482
341 1 3 . 1 1 70 70 GLU HA H 70 5.921 5.921 3.934 1.987 19482
342 1 3 . 1 1 70 70 GLU C C 70 174.811 174.811 175.536 -0.725 19482
343 1 3 . 1 1 70 70 GLU CA C 70 52.932 52.932 57.518 -4.586 19482
344 1 3 . 1 1 70 70 GLU CB C 70 36.143 36.143 29.816 6.327 19482
345 1 3 . 1 1 70 70 GLU H H 70 8.572 8.572 7.893 0.679 19482
346 1 3 . 1 1 71 71 VAL N N 71 121.977 121.977 119.199 2.778 19482
347 1 3 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.229 0.771 19482
348 1 3 . 1 1 71 71 VAL C C 71 170.605 170.605 174.616 -4.011 19482
349 1 3 . 1 1 71 71 VAL CA C 71 57.919 57.919 62.657 -4.738 19482
350 1 3 . 1 1 71 71 VAL CB C 71 37.049 37.049 33.789 3.260 19482
351 1 3 . 1 1 71 71 VAL H H 71 8.882 8.882 8.574 0.308 19482
352 1 3 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.773 0.141 19482
353 1 3 . 1 1 72 72 PRO C C 72 179.275 179.275 176.662 2.613 19482
354 1 3 . 1 1 72 72 PRO CA C 72 64.579 64.579 61.605 2.974 19482
355 1 3 . 1 1 72 72 PRO CB C 72 31.924 31.924 32.944 -1.020 19482
356 1 3 . 1 1 73 73 SER N N 73 120.533 120.533 120.028 0.505 19482
357 1 3 . 1 1 73 73 SER HA H 73 3.699 3.699 4.559 -0.860 19482
358 1 3 . 1 1 73 73 SER C C 73 177.355 177.355 173.392 3.963 19482
359 1 3 . 1 1 73 73 SER CA C 73 62.666 62.666 58.364 4.302 19482
360 1 3 . 1 1 73 73 SER CB C 73 62.640 62.640 63.812 -1.173 19482
361 1 3 . 1 1 73 73 SER H H 73 8.932 8.932 8.337 0.595 19482
362 1 3 . 1 1 74 74 GLY N N 74 108.957 108.957 102.041 6.916 19482
363 1 3 . 1 1 74 74 GLY C C 74 174.603 174.603 172.797 1.806 19482
364 1 3 . 1 1 74 74 GLY CA C 74 46.308 46.308 43.253 3.055 19482
365 1 3 . 1 1 74 74 GLY H H 74 9.046 9.046 7.725 1.321 19482
366 1 3 . 1 1 75 75 ASP N N 75 118.276 118.276 117.799 0.477 19482
367 1 3 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.791 0.227 19482
368 1 3 . 1 1 75 75 ASP C C 75 175.486 175.486 173.837 1.649 19482
369 1 3 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.157 2.584 19482
370 1 3 . 1 1 75 75 ASP CB C 75 42.900 42.900 43.816 -0.916 19482
371 1 3 . 1 1 75 75 ASP H H 75 7.873 7.873 8.814 -0.941 19482
372 1 3 . 1 1 76 76 LEU N N 76 120.899 120.899 119.627 1.272 19482
373 1 3 . 1 1 76 76 LEU HA H 76 3.629 3.629 5.040 -1.411 19482
374 1 3 . 1 1 76 76 LEU C C 76 176.991 176.991 175.572 1.419 19482
375 1 3 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.743 5.236 19482
376 1 3 . 1 1 76 76 LEU CB C 76 41.622 41.622 45.266 -3.644 19482
377 1 3 . 1 1 76 76 LEU H H 76 7.126 7.126 8.365 -1.239 19482
378 1 3 . 1 1 77 77 ALA N N 77 119.926 119.926 126.511 -6.585 19482
379 1 3 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.608 -0.875 19482
380 1 3 . 1 1 77 77 ALA C C 77 180.158 180.158 176.925 3.233 19482
381 1 3 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.258 4.576 19482
382 1 3 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.281 -3.977 19482
383 1 3 . 1 1 77 77 ALA H H 77 8.680 8.680 9.008 -0.328 19482
384 1 3 . 1 1 78 78 ALA N N 78 121.891 121.891 128.829 -6.938 19482
385 1 3 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.048 -0.106 19482
386 1 3 . 1 1 78 78 ALA C C 78 180.002 180.002 177.414 2.588 19482
387 1 3 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.052 1.689 19482
388 1 3 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.648 -0.251 19482
389 1 3 . 1 1 78 78 ALA H H 78 8.056 8.056 8.879 -0.823 19482
390 1 3 . 1 1 79 79 LEU N N 79 123.051 123.051 115.794 7.257 19482
391 1 3 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.015 -1.134 19482
392 1 3 . 1 1 79 79 LEU C C 79 178.704 178.704 175.129 3.575 19482
393 1 3 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.491 4.321 19482
394 1 3 . 1 1 79 79 LEU H H 79 7.775 7.775 8.293 -0.518 19482
395 1 3 . 1 1 80 80 LEU N N 80 120.108 120.108 118.610 1.498 19482
396 1 3 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.528 -0.951 19482
397 1 3 . 1 1 80 80 LEU C C 80 179.224 179.224 173.887 5.337 19482
398 1 3 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.896 3.685 19482
399 1 3 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.706 -3.561 19482
400 1 3 . 1 1 80 80 LEU H H 80 8.546 8.546 7.714 0.832 19482
401 1 3 . 1 1 81 81 SER N N 81 113.635 113.635 114.103 -0.468 19482
402 1 3 . 1 1 81 81 SER HA H 81 4.041 4.041 5.150 -1.109 19482
403 1 3 . 1 1 81 81 SER C C 81 176.939 176.939 172.752 4.187 19482
404 1 3 . 1 1 81 81 SER CA C 81 62.029 62.029 56.617 5.412 19482
405 1 3 . 1 1 81 81 SER CB C 81 62.708 62.708 65.623 -2.915 19482
406 1 3 . 1 1 81 81 SER H H 81 8.117 8.117 8.995 -0.878 19482
407 1 3 . 1 1 82 82 SER N N 82 117.004 117.004 121.797 -4.793 19482
408 1 3 . 1 1 82 82 SER HA H 82 4.155 4.155 5.038 -0.883 19482
409 1 3 . 1 1 82 82 SER C C 82 177.355 177.355 173.869 3.486 19482
410 1 3 . 1 1 82 82 SER CA C 82 62.600 62.600 56.861 5.739 19482
411 1 3 . 1 1 82 82 SER CB C 82 63.330 63.330 63.330 -0.000 19482
412 1 3 . 1 1 82 82 SER H H 82 7.704 7.704 8.014 -0.310 19482
413 1 3 . 1 1 83 83 VAL N N 83 123.259 123.259 121.506 1.753 19482
414 1 3 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.759 -1.373 19482
415 1 3 . 1 1 83 83 VAL C C 83 178.601 178.601 173.559 5.042 19482
416 1 3 . 1 1 83 83 VAL CA C 83 66.492 66.492 60.718 5.774 19482
417 1 3 . 1 1 83 83 VAL CB C 83 31.240 31.240 35.249 -4.010 19482
418 1 3 . 1 1 83 83 VAL H H 83 8.666 8.666 8.551 0.115 19482
419 1 3 . 1 1 84 84 ARG N N 84 119.832 119.832 117.284 2.548 19482
420 1 3 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.407 -1.222 19482
421 1 3 . 1 1 84 84 ARG C C 84 176.887 176.887 174.773 2.114 19482
422 1 3 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.714 4.263 19482
423 1 3 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.596 -3.684 19482
424 1 3 . 1 1 84 84 ARG H H 84 8.075 8.075 8.149 -0.074 19482
425 1 3 . 1 1 85 85 ARG N N 85 115.505 115.505 119.814 -4.309 19482
426 1 3 . 1 1 85 85 ARG HA H 85 4.237 4.237 5.283 -1.046 19482
427 1 3 . 1 1 85 85 ARG C C 85 177.666 177.666 175.222 2.444 19482
428 1 3 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.692 2.262 19482
429 1 3 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.900 -2.070 19482
430 1 3 . 1 1 85 85 ARG H H 85 7.190 7.190 8.737 -1.547 19482
431 1 3 . 1 1 86 86 VAL N N 86 111.155 111.155 121.780 -10.625 19482
432 1 3 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.703 -1.251 19482
433 1 3 . 1 1 86 86 VAL C C 86 174.188 174.188 174.875 -0.687 19482
434 1 3 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.857 -0.240 19482
435 1 3 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.992 -2.112 19482
436 1 3 . 1 1 86 86 VAL H H 86 7.278 7.278 9.024 -1.746 19482
437 1 3 . 1 1 87 87 SER N N 87 115.486 115.486 117.436 -1.950 19482
438 1 3 . 1 1 87 87 SER HA H 87 4.827 4.827 5.094 -0.267 19482
439 1 3 . 1 1 87 87 SER C C 87 172.474 172.474 172.231 0.243 19482
440 1 3 . 1 1 87 87 SER CA C 87 57.870 57.870 56.782 1.088 19482
441 1 3 . 1 1 87 87 SER CB C 87 65.262 65.262 67.686 -2.424 19482
442 1 3 . 1 1 87 87 SER H H 87 7.636 7.636 8.403 -0.767 19482
443 1 3 . 1 1 88 88 ASP N N 88 120.900 120.900 124.235 -3.335 19482
444 1 3 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.730 0.236 19482
445 1 3 . 1 1 88 88 ASP C C 88 175.399 175.399 174.217 1.182 19482
446 1 3 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.897 0.903 19482
447 1 3 . 1 1 88 88 ASP CB C 88 43.700 43.700 43.398 0.302 19482
448 1 3 . 1 1 88 88 ASP H H 88 8.840 8.840 8.577 0.263 19482
449 1 3 . 1 1 89 89 ASP N N 89 118.474 118.474 120.103 -1.629 19482
450 1 3 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.963 -0.483 19482
451 1 3 . 1 1 89 89 ASP C C 89 174.343 174.343 175.326 -0.983 19482
452 1 3 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.647 1.692 19482
453 1 3 . 1 1 89 89 ASP CB C 89 40.674 40.674 41.909 -1.235 19482
454 1 3 . 1 1 89 89 ASP H H 89 8.495 8.495 8.694 -0.199 19482
455 1 3 . 1 1 90 90 VAL N N 90 119.779 119.779 119.024 0.755 19482
456 1 3 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.296 0.429 19482
457 1 3 . 1 1 90 90 VAL C C 90 176.680 176.680 176.529 0.151 19482
458 1 3 . 1 1 90 90 VAL CA C 90 62.693 62.693 61.877 0.816 19482
459 1 3 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.692 -0.392 19482
460 1 3 . 1 1 90 90 VAL H H 90 7.997 7.997 8.243 -0.246 19482
461 1 3 . 1 1 91 91 ARG N N 91 126.330 126.330 122.470 3.860 19482
462 1 3 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.133 0.628 19482
463 1 3 . 1 1 91 91 ARG C C 91 174.084 174.084 174.760 -0.676 19482
464 1 3 . 1 1 91 91 ARG CA C 91 55.085 55.085 55.434 -0.349 19482
465 1 3 . 1 1 91 91 ARG H H 91 9.183 9.183 8.264 0.919 19482
466 1 3 . 1 1 92 92 SER N N 92 115.701 115.701 110.613 5.088 19482
467 1 3 . 1 1 92 92 SER HA H 92 4.995 4.995 4.647 0.348 19482
468 1 3 . 1 1 92 92 SER C C 92 173.616 173.616 174.057 -0.441 19482
469 1 3 . 1 1 92 92 SER CA C 92 59.519 59.519 57.999 1.520 19482
470 1 3 . 1 1 92 92 SER CB C 92 64.634 64.634 63.976 0.658 19482
471 1 3 . 1 1 92 92 SER H H 92 8.740 8.740 8.343 0.397 19482
472 1 3 . 1 1 93 93 ALA N N 93 130.939 130.939 123.102 7.837 19482
473 1 3 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.729 -0.410 19482
474 1 3 . 1 1 93 93 ALA C C 93 181.664 181.664 175.211 6.453 19482
475 1 3 . 1 1 93 93 ALA CA C 93 53.234 53.234 50.191 3.042 19482
476 1 3 . 1 1 93 93 ALA CB C 93 21.573 21.573 18.567 3.006 19482
477 1 3 . 1 1 93 93 ALA H H 93 7.820 7.820 7.884 -0.064 19482
478 1 4 . 1 1 66 66 PHE N N 66 122.582 122.582 122.349 0.233 19482
479 1 4 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.485 0.932 19482
480 1 4 . 1 1 66 66 PHE C C 66 174.032 174.032 175.197 -1.165 19482
481 1 4 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.087 -2.371 19482
482 1 4 . 1 1 66 66 PHE H H 66 8.956 8.956 8.242 0.714 19482
483 1 4 . 1 1 67 67 VAL N N 67 125.787 125.787 120.652 5.135 19482
484 1 4 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.498 0.502 19482
485 1 4 . 1 1 67 67 VAL C C 67 172.630 172.630 174.598 -1.968 19482
486 1 4 . 1 1 67 67 VAL CA C 67 59.022 59.022 60.111 -1.089 19482
487 1 4 . 1 1 67 67 VAL CB C 67 35.886 35.886 33.617 2.269 19482
488 1 4 . 1 1 67 67 VAL H H 67 8.954 8.954 7.956 0.998 19482
489 1 4 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.333 1.317 19482
490 1 4 . 1 1 68 68 ARG C C 68 176.368 176.368 176.194 0.174 19482
491 1 4 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.621 -3.255 19482
492 1 4 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.868 2.007 19482
493 1 4 . 1 1 69 69 PHE N N 69 124.425 124.425 117.043 7.382 19482
494 1 4 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.712 0.861 19482
495 1 4 . 1 1 69 69 PHE C C 69 170.242 170.242 176.564 -6.322 19482
496 1 4 . 1 1 69 69 PHE CA C 69 55.423 55.423 58.122 -2.699 19482
497 1 4 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.228 4.032 19482
498 1 4 . 1 1 69 69 PHE H H 69 9.058 9.058 7.790 1.268 19482
499 1 4 . 1 1 70 70 GLU N N 70 116.577 116.577 120.219 -3.642 19482
500 1 4 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.263 1.658 19482
501 1 4 . 1 1 70 70 GLU C C 70 174.811 174.811 175.691 -0.880 19482
502 1 4 . 1 1 70 70 GLU CA C 70 52.932 52.932 56.762 -3.830 19482
503 1 4 . 1 1 70 70 GLU CB C 70 36.143 36.143 30.537 5.606 19482
504 1 4 . 1 1 70 70 GLU H H 70 8.572 8.572 8.023 0.549 19482
505 1 4 . 1 1 71 71 VAL N N 71 121.977 121.977 123.267 -1.290 19482
506 1 4 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.285 0.715 19482
507 1 4 . 1 1 71 71 VAL C C 71 170.605 170.605 174.109 -3.504 19482
508 1 4 . 1 1 71 71 VAL CA C 71 57.919 57.919 62.450 -4.531 19482
509 1 4 . 1 1 71 71 VAL CB C 71 37.049 37.049 33.765 3.284 19482
510 1 4 . 1 1 71 71 VAL H H 71 8.882 8.882 8.434 0.448 19482
511 1 4 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.751 0.163 19482
512 1 4 . 1 1 72 72 PRO C C 72 179.275 179.275 175.805 3.470 19482
513 1 4 . 1 1 72 72 PRO CA C 72 64.579 64.579 62.480 2.099 19482
514 1 4 . 1 1 72 72 PRO CB C 72 31.924 31.924 31.029 0.895 19482
515 1 4 . 1 1 73 73 SER N N 73 120.533 120.533 116.009 4.524 19482
516 1 4 . 1 1 73 73 SER HA H 73 3.699 3.699 5.231 -1.532 19482
517 1 4 . 1 1 73 73 SER C C 73 177.355 177.355 172.252 5.103 19482
518 1 4 . 1 1 73 73 SER CA C 73 62.666 62.666 56.610 6.056 19482
519 1 4 . 1 1 73 73 SER CB C 73 62.640 62.640 66.108 -3.468 19482
520 1 4 . 1 1 73 73 SER H H 73 8.932 8.932 7.964 0.968 19482
521 1 4 . 1 1 74 74 GLY N N 74 108.957 108.957 104.125 4.832 19482
522 1 4 . 1 1 74 74 GLY C C 74 174.603 174.603 172.420 2.183 19482
523 1 4 . 1 1 74 74 GLY CA C 74 46.308 46.308 43.785 2.523 19482
524 1 4 . 1 1 74 74 GLY H H 74 9.046 9.046 8.273 0.773 19482
525 1 4 . 1 1 75 75 ASP N N 75 118.276 118.276 118.453 -0.177 19482
526 1 4 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.612 0.406 19482
527 1 4 . 1 1 75 75 ASP C C 75 175.486 175.486 173.552 1.934 19482
528 1 4 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.135 2.606 19482
529 1 4 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.315 -1.415 19482
530 1 4 . 1 1 75 75 ASP H H 75 7.873 7.873 8.663 -0.790 19482
531 1 4 . 1 1 76 76 LEU N N 76 120.899 120.899 120.424 0.475 19482
532 1 4 . 1 1 76 76 LEU HA H 76 3.629 3.629 5.015 -1.386 19482
533 1 4 . 1 1 76 76 LEU C C 76 176.991 176.991 175.624 1.367 19482
534 1 4 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.672 5.307 19482
535 1 4 . 1 1 76 76 LEU CB C 76 41.622 41.622 44.892 -3.270 19482
536 1 4 . 1 1 76 76 LEU H H 76 7.126 7.126 8.362 -1.236 19482
537 1 4 . 1 1 77 77 ALA N N 77 119.926 119.926 127.239 -7.313 19482
538 1 4 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.552 -0.819 19482
539 1 4 . 1 1 77 77 ALA C C 77 180.158 180.158 176.930 3.228 19482
540 1 4 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.298 4.536 19482
541 1 4 . 1 1 77 77 ALA CB C 77 17.304 17.304 20.753 -3.449 19482
542 1 4 . 1 1 77 77 ALA H H 77 8.680 8.680 8.846 -0.166 19482
543 1 4 . 1 1 78 78 ALA N N 78 121.891 121.891 129.410 -7.519 19482
544 1 4 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.045 -0.103 19482
545 1 4 . 1 1 78 78 ALA C C 78 180.002 180.002 177.441 2.561 19482
546 1 4 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.010 1.731 19482
547 1 4 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.578 -0.181 19482
548 1 4 . 1 1 78 78 ALA H H 78 8.056 8.056 8.920 -0.864 19482
549 1 4 . 1 1 79 79 LEU N N 79 123.051 123.051 115.721 7.330 19482
550 1 4 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.012 -1.131 19482
551 1 4 . 1 1 79 79 LEU C C 79 178.704 178.704 175.135 3.569 19482
552 1 4 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.495 4.317 19482
553 1 4 . 1 1 79 79 LEU H H 79 7.775 7.775 8.338 -0.563 19482
554 1 4 . 1 1 80 80 LEU N N 80 120.108 120.108 118.688 1.420 19482
555 1 4 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.441 -0.864 19482
556 1 4 . 1 1 80 80 LEU C C 80 179.224 179.224 173.940 5.284 19482
557 1 4 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.903 3.678 19482
558 1 4 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.696 -3.551 19482
559 1 4 . 1 1 80 80 LEU H H 80 8.546 8.546 7.607 0.939 19482
560 1 4 . 1 1 81 81 SER N N 81 113.635 113.635 113.580 0.055 19482
561 1 4 . 1 1 81 81 SER HA H 81 4.041 4.041 5.335 -1.294 19482
562 1 4 . 1 1 81 81 SER C C 81 176.939 176.939 172.617 4.322 19482
563 1 4 . 1 1 81 81 SER CA C 81 62.029 62.029 56.522 5.507 19482
564 1 4 . 1 1 81 81 SER CB C 81 62.708 62.708 66.164 -3.456 19482
565 1 4 . 1 1 81 81 SER H H 81 8.117 8.117 9.062 -0.945 19482
566 1 4 . 1 1 82 82 SER N N 82 117.004 117.004 120.578 -3.574 19482
567 1 4 . 1 1 82 82 SER HA H 82 4.155 4.155 5.054 -0.899 19482
568 1 4 . 1 1 82 82 SER C C 82 177.355 177.355 173.745 3.610 19482
569 1 4 . 1 1 82 82 SER CA C 82 62.600 62.600 57.067 5.533 19482
570 1 4 . 1 1 82 82 SER CB C 82 63.330 63.330 63.706 -0.376 19482
571 1 4 . 1 1 82 82 SER H H 82 7.704 7.704 8.378 -0.674 19482
572 1 4 . 1 1 83 83 VAL N N 83 123.259 123.259 121.532 1.727 19482
573 1 4 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.579 -1.193 19482
574 1 4 . 1 1 83 83 VAL C C 83 178.601 178.601 173.208 5.393 19482
575 1 4 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.157 5.335 19482
576 1 4 . 1 1 83 83 VAL CB C 83 31.240 31.240 34.262 -3.022 19482
577 1 4 . 1 1 83 83 VAL H H 83 8.666 8.666 8.504 0.162 19482
578 1 4 . 1 1 84 84 ARG N N 84 119.832 119.832 118.063 1.769 19482
579 1 4 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.439 -1.254 19482
580 1 4 . 1 1 84 84 ARG C C 84 176.887 176.887 174.897 1.990 19482
581 1 4 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.948 4.029 19482
582 1 4 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.820 -3.908 19482
583 1 4 . 1 1 84 84 ARG H H 84 8.075 8.075 8.126 -0.051 19482
584 1 4 . 1 1 85 85 ARG N N 85 115.505 115.505 120.187 -4.682 19482
585 1 4 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.908 -0.671 19482
586 1 4 . 1 1 85 85 ARG C C 85 177.666 177.666 174.881 2.785 19482
587 1 4 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.938 2.016 19482
588 1 4 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.124 -1.294 19482
589 1 4 . 1 1 85 85 ARG H H 85 7.190 7.190 8.668 -1.478 19482
590 1 4 . 1 1 86 86 VAL N N 86 111.155 111.155 121.626 -10.471 19482
591 1 4 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.593 -1.141 19482
592 1 4 . 1 1 86 86 VAL C C 86 174.188 174.188 174.901 -0.713 19482
593 1 4 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.721 -0.104 19482
594 1 4 . 1 1 86 86 VAL CB C 86 32.880 32.880 35.023 -2.143 19482
595 1 4 . 1 1 86 86 VAL H H 86 7.278 7.278 8.592 -1.314 19482
596 1 4 . 1 1 87 87 SER N N 87 115.486 115.486 112.978 2.508 19482
597 1 4 . 1 1 87 87 SER HA H 87 4.827 4.827 4.497 0.330 19482
598 1 4 . 1 1 87 87 SER C C 87 172.474 172.474 171.268 1.206 19482
599 1 4 . 1 1 87 87 SER CA C 87 57.870 57.870 57.380 0.490 19482
600 1 4 . 1 1 87 87 SER CB C 87 65.262 65.262 66.896 -1.634 19482
601 1 4 . 1 1 87 87 SER H H 87 7.636 7.636 8.013 -0.377 19482
602 1 4 . 1 1 88 88 ASP N N 88 120.900 120.900 123.820 -2.920 19482
603 1 4 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.655 0.311 19482
604 1 4 . 1 1 88 88 ASP C C 88 175.399 175.399 173.713 1.686 19482
605 1 4 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.180 1.620 19482
606 1 4 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.046 1.654 19482
607 1 4 . 1 1 88 88 ASP H H 88 8.840 8.840 8.714 0.126 19482
608 1 4 . 1 1 89 89 ASP N N 89 118.474 118.474 122.402 -3.928 19482
609 1 4 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.946 -0.466 19482
610 1 4 . 1 1 89 89 ASP C C 89 174.343 174.343 176.797 -2.454 19482
611 1 4 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.120 2.219 19482
612 1 4 . 1 1 89 89 ASP CB C 89 40.674 40.674 40.605 0.069 19482
613 1 4 . 1 1 89 89 ASP H H 89 8.495 8.495 8.485 0.010 19482
614 1 4 . 1 1 90 90 VAL N N 90 119.779 119.779 119.769 0.010 19482
615 1 4 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.056 0.669 19482
616 1 4 . 1 1 90 90 VAL C C 90 176.680 176.680 176.242 0.438 19482
617 1 4 . 1 1 90 90 VAL CA C 90 62.693 62.693 62.529 0.164 19482
618 1 4 . 1 1 90 90 VAL CB C 90 32.300 32.300 31.857 0.443 19482
619 1 4 . 1 1 90 90 VAL H H 90 7.997 7.997 8.259 -0.262 19482
620 1 4 . 1 1 91 91 ARG N N 91 126.330 126.330 121.993 4.337 19482
621 1 4 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.019 0.742 19482
622 1 4 . 1 1 91 91 ARG C C 91 174.084 174.084 175.752 -1.668 19482
623 1 4 . 1 1 91 91 ARG CA C 91 55.085 55.085 56.352 -1.267 19482
624 1 4 . 1 1 91 91 ARG H H 91 9.183 9.183 7.930 1.253 19482
625 1 4 . 1 1 92 92 SER N N 92 115.701 115.701 115.185 0.516 19482
626 1 4 . 1 1 92 92 SER HA H 92 4.995 4.995 4.459 0.536 19482
627 1 4 . 1 1 92 92 SER C C 92 173.616 173.616 174.305 -0.689 19482
628 1 4 . 1 1 92 92 SER CA C 92 59.519 59.519 58.943 0.576 19482
629 1 4 . 1 1 92 92 SER CB C 92 64.634 64.634 63.740 0.894 19482
630 1 4 . 1 1 92 92 SER H H 92 8.740 8.740 8.157 0.583 19482
631 1 4 . 1 1 93 93 ALA N N 93 130.939 130.939 122.306 8.633 19482
632 1 4 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.638 -0.319 19482
633 1 4 . 1 1 93 93 ALA C C 93 181.664 181.664 175.252 6.412 19482
634 1 4 . 1 1 93 93 ALA CA C 93 53.234 53.234 52.303 0.931 19482
635 1 4 . 1 1 93 93 ALA CB C 93 21.573 21.573 19.478 2.095 19482
636 1 4 . 1 1 93 93 ALA H H 93 7.820 7.820 7.855 -0.035 19482
637 1 5 . 1 1 66 66 PHE N N 66 122.582 122.582 121.501 1.081 19482
638 1 5 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.351 1.066 19482
639 1 5 . 1 1 66 66 PHE C C 66 174.032 174.032 174.741 -0.709 19482
640 1 5 . 1 1 66 66 PHE CA C 66 55.716 55.716 57.638 -1.922 19482
641 1 5 . 1 1 66 66 PHE H H 66 8.956 8.956 8.291 0.665 19482
642 1 5 . 1 1 67 67 VAL N N 67 125.787 125.787 122.790 2.997 19482
643 1 5 . 1 1 67 67 VAL HA H 67 5.001 5.001 3.921 1.080 19482
644 1 5 . 1 1 67 67 VAL C C 67 172.630 172.630 174.811 -2.181 19482
645 1 5 . 1 1 67 67 VAL CA C 67 59.022 59.022 62.334 -3.312 19482
646 1 5 . 1 1 67 67 VAL CB C 67 35.886 35.886 30.326 5.560 19482
647 1 5 . 1 1 67 67 VAL H H 67 8.954 8.954 7.967 0.987 19482
648 1 5 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.289 1.361 19482
649 1 5 . 1 1 68 68 ARG C C 68 176.368 176.368 176.273 0.095 19482
650 1 5 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.266 -2.900 19482
651 1 5 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.661 2.214 19482
652 1 5 . 1 1 69 69 PHE N N 69 124.425 124.425 116.259 8.166 19482
653 1 5 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.764 0.809 19482
654 1 5 . 1 1 69 69 PHE C C 69 170.242 170.242 176.123 -5.881 19482
655 1 5 . 1 1 69 69 PHE CA C 69 55.423 55.423 57.496 -2.073 19482
656 1 5 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.334 3.926 19482
657 1 5 . 1 1 69 69 PHE H H 69 9.058 9.058 7.851 1.207 19482
658 1 5 . 1 1 70 70 GLU N N 70 116.577 116.577 118.167 -1.590 19482
659 1 5 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.005 1.916 19482
660 1 5 . 1 1 70 70 GLU C C 70 174.811 174.811 175.450 -0.639 19482
661 1 5 . 1 1 70 70 GLU CA C 70 52.932 52.932 57.153 -4.221 19482
662 1 5 . 1 1 70 70 GLU CB C 70 36.143 36.143 29.906 6.237 19482
663 1 5 . 1 1 70 70 GLU H H 70 8.572 8.572 7.783 0.789 19482
664 1 5 . 1 1 71 71 VAL N N 71 121.977 121.977 121.202 0.775 19482
665 1 5 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.346 0.653 19482
666 1 5 . 1 1 71 71 VAL C C 71 170.605 170.605 174.581 -3.976 19482
667 1 5 . 1 1 71 71 VAL CA C 71 57.919 57.919 62.733 -4.814 19482
668 1 5 . 1 1 71 71 VAL CB C 71 37.049 37.049 33.093 3.956 19482
669 1 5 . 1 1 71 71 VAL H H 71 8.882 8.882 8.614 0.268 19482
670 1 5 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.883 0.031 19482
671 1 5 . 1 1 72 72 PRO C C 72 179.275 179.275 176.145 3.130 19482
672 1 5 . 1 1 72 72 PRO CA C 72 64.579 64.579 61.146 3.433 19482
673 1 5 . 1 1 72 72 PRO CB C 72 31.924 31.924 33.767 -1.843 19482
674 1 5 . 1 1 73 73 SER N N 73 120.533 120.533 112.137 8.396 19482
675 1 5 . 1 1 73 73 SER HA H 73 3.699 3.699 4.912 -1.213 19482
676 1 5 . 1 1 73 73 SER C C 73 177.355 177.355 173.258 4.097 19482
677 1 5 . 1 1 73 73 SER CA C 73 62.666 62.666 57.592 5.074 19482
678 1 5 . 1 1 73 73 SER CB C 73 62.640 62.640 65.225 -2.585 19482
679 1 5 . 1 1 73 73 SER H H 73 8.932 8.932 8.221 0.711 19482
680 1 5 . 1 1 74 74 GLY N N 74 108.957 108.957 107.583 1.374 19482
681 1 5 . 1 1 74 74 GLY C C 74 174.603 174.603 172.373 2.230 19482
682 1 5 . 1 1 74 74 GLY CA C 74 46.308 46.308 43.242 3.066 19482
683 1 5 . 1 1 74 74 GLY H H 74 9.046 9.046 7.910 1.136 19482
684 1 5 . 1 1 75 75 ASP N N 75 118.276 118.276 117.995 0.281 19482
685 1 5 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.635 0.383 19482
686 1 5 . 1 1 75 75 ASP C C 75 175.486 175.486 173.559 1.927 19482
687 1 5 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.266 2.475 19482
688 1 5 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.358 -1.458 19482
689 1 5 . 1 1 75 75 ASP H H 75 7.873 7.873 8.672 -0.799 19482
690 1 5 . 1 1 76 76 LEU N N 76 120.899 120.899 120.616 0.283 19482
691 1 5 . 1 1 76 76 LEU HA H 76 3.629 3.629 5.019 -1.390 19482
692 1 5 . 1 1 76 76 LEU C C 76 176.991 176.991 175.581 1.410 19482
693 1 5 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.667 5.312 19482
694 1 5 . 1 1 76 76 LEU CB C 76 41.622 41.622 44.898 -3.276 19482
695 1 5 . 1 1 76 76 LEU H H 76 7.126 7.126 8.371 -1.245 19482
696 1 5 . 1 1 77 77 ALA N N 77 119.926 119.926 127.122 -7.196 19482
697 1 5 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.560 -0.827 19482
698 1 5 . 1 1 77 77 ALA C C 77 180.158 180.158 177.023 3.135 19482
699 1 5 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.273 4.561 19482
700 1 5 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.084 -3.780 19482
701 1 5 . 1 1 77 77 ALA H H 77 8.680 8.680 8.840 -0.160 19482
702 1 5 . 1 1 78 78 ALA N N 78 121.891 121.891 128.959 -7.068 19482
703 1 5 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.031 -0.089 19482
704 1 5 . 1 1 78 78 ALA C C 78 180.002 180.002 177.421 2.581 19482
705 1 5 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.089 1.653 19482
706 1 5 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.580 -0.183 19482
707 1 5 . 1 1 78 78 ALA H H 78 8.056 8.056 8.915 -0.859 19482
708 1 5 . 1 1 79 79 LEU N N 79 123.051 123.051 115.725 7.326 19482
709 1 5 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.012 -1.131 19482
710 1 5 . 1 1 79 79 LEU C C 79 178.704 178.704 175.134 3.570 19482
711 1 5 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.472 4.340 19482
712 1 5 . 1 1 79 79 LEU H H 79 7.775 7.775 8.273 -0.498 19482
713 1 5 . 1 1 80 80 LEU N N 80 120.108 120.108 118.653 1.455 19482
714 1 5 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.444 -0.867 19482
715 1 5 . 1 1 80 80 LEU C C 80 179.224 179.224 173.935 5.289 19482
716 1 5 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.880 3.701 19482
717 1 5 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.731 -3.586 19482
718 1 5 . 1 1 80 80 LEU H H 80 8.546 8.546 7.788 0.758 19482
719 1 5 . 1 1 81 81 SER N N 81 113.635 113.635 113.560 0.075 19482
720 1 5 . 1 1 81 81 SER HA H 81 4.041 4.041 5.314 -1.273 19482
721 1 5 . 1 1 81 81 SER C C 81 176.939 176.939 172.690 4.249 19482
722 1 5 . 1 1 81 81 SER CA C 81 62.029 62.029 56.541 5.489 19482
723 1 5 . 1 1 81 81 SER CB C 81 62.708 62.708 66.120 -3.412 19482
724 1 5 . 1 1 81 81 SER H H 81 8.117 8.117 9.047 -0.930 19482
725 1 5 . 1 1 82 82 SER N N 82 117.004 117.004 120.842 -3.838 19482
726 1 5 . 1 1 82 82 SER HA H 82 4.155 4.155 5.089 -0.934 19482
727 1 5 . 1 1 82 82 SER C C 82 177.355 177.355 173.820 3.535 19482
728 1 5 . 1 1 82 82 SER CA C 82 62.600 62.600 57.299 5.301 19482
729 1 5 . 1 1 82 82 SER CB C 82 63.330 63.330 63.557 -0.227 19482
730 1 5 . 1 1 82 82 SER H H 82 7.704 7.704 8.513 -0.809 19482
731 1 5 . 1 1 83 83 VAL N N 83 123.259 123.259 120.558 2.701 19482
732 1 5 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.616 -1.230 19482
733 1 5 . 1 1 83 83 VAL C C 83 178.601 178.601 173.231 5.370 19482
734 1 5 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.174 5.318 19482
735 1 5 . 1 1 83 83 VAL CB C 83 31.240 31.240 33.954 -2.714 19482
736 1 5 . 1 1 83 83 VAL H H 83 8.666 8.666 8.243 0.423 19482
737 1 5 . 1 1 84 84 ARG N N 84 119.832 119.832 117.915 1.917 19482
738 1 5 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.408 -1.223 19482
739 1 5 . 1 1 84 84 ARG C C 84 176.887 176.887 175.435 1.452 19482
740 1 5 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.863 4.114 19482
741 1 5 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.811 -3.899 19482
742 1 5 . 1 1 84 84 ARG H H 84 8.075 8.075 8.602 -0.527 19482
743 1 5 . 1 1 85 85 ARG N N 85 115.505 115.505 121.222 -5.717 19482
744 1 5 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.834 -0.597 19482
745 1 5 . 1 1 85 85 ARG C C 85 177.666 177.666 174.744 2.922 19482
746 1 5 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.762 2.192 19482
747 1 5 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.129 -1.299 19482
748 1 5 . 1 1 85 85 ARG H H 85 7.190 7.190 8.389 -1.199 19482
749 1 5 . 1 1 86 86 VAL N N 86 111.155 111.155 121.786 -10.631 19482
750 1 5 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.284 -0.832 19482
751 1 5 . 1 1 86 86 VAL C C 86 174.188 174.188 174.826 -0.638 19482
752 1 5 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.914 -0.297 19482
753 1 5 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.731 -1.851 19482
754 1 5 . 1 1 86 86 VAL H H 86 7.278 7.278 8.481 -1.203 19482
755 1 5 . 1 1 87 87 SER N N 87 115.486 115.486 116.572 -1.086 19482
756 1 5 . 1 1 87 87 SER HA H 87 4.827 4.827 4.764 0.063 19482
757 1 5 . 1 1 87 87 SER C C 87 172.474 172.474 172.045 0.429 19482
758 1 5 . 1 1 87 87 SER CA C 87 57.870 57.870 56.905 0.965 19482
759 1 5 . 1 1 87 87 SER CB C 87 65.262 65.262 67.702 -2.440 19482
760 1 5 . 1 1 87 87 SER H H 87 7.636 7.636 8.314 -0.678 19482
761 1 5 . 1 1 88 88 ASP N N 88 120.900 120.900 124.713 -3.813 19482
762 1 5 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.848 0.118 19482
763 1 5 . 1 1 88 88 ASP C C 88 175.399 175.399 174.158 1.241 19482
764 1 5 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.623 1.177 19482
765 1 5 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.699 1.001 19482
766 1 5 . 1 1 88 88 ASP H H 88 8.840 8.840 9.007 -0.167 19482
767 1 5 . 1 1 89 89 ASP N N 89 118.474 118.474 122.629 -4.155 19482
768 1 5 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.664 -0.184 19482
769 1 5 . 1 1 89 89 ASP C C 89 174.343 174.343 175.571 -1.228 19482
770 1 5 . 1 1 89 89 ASP CA C 89 54.339 54.339 53.005 1.334 19482
771 1 5 . 1 1 89 89 ASP CB C 89 40.674 40.674 41.063 -0.389 19482
772 1 5 . 1 1 89 89 ASP H H 89 8.495 8.495 8.464 0.031 19482
773 1 5 . 1 1 90 90 VAL N N 90 119.779 119.779 124.664 -4.885 19482
774 1 5 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.216 0.509 19482
775 1 5 . 1 1 90 90 VAL C C 90 176.680 176.680 175.790 0.890 19482
776 1 5 . 1 1 90 90 VAL CA C 90 62.693 62.693 62.065 0.628 19482
777 1 5 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.699 -0.399 19482
778 1 5 . 1 1 90 90 VAL H H 90 7.997 7.997 8.521 -0.524 19482
779 1 5 . 1 1 91 91 ARG N N 91 126.330 126.330 127.282 -0.952 19482
780 1 5 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.177 0.584 19482
781 1 5 . 1 1 91 91 ARG C C 91 174.084 174.084 175.921 -1.837 19482
782 1 5 . 1 1 91 91 ARG CA C 91 55.085 55.085 56.479 -1.394 19482
783 1 5 . 1 1 91 91 ARG H H 91 9.183 9.183 8.592 0.591 19482
784 1 5 . 1 1 92 92 SER N N 92 115.701 115.701 110.246 5.455 19482
785 1 5 . 1 1 92 92 SER HA H 92 4.995 4.995 3.942 1.053 19482
786 1 5 . 1 1 92 92 SER C C 92 173.616 173.616 173.841 -0.225 19482
787 1 5 . 1 1 92 92 SER CA C 92 59.519 59.519 59.896 -0.377 19482
788 1 5 . 1 1 92 92 SER CB C 92 64.634 64.634 61.086 3.548 19482
789 1 5 . 1 1 92 92 SER H H 92 8.740 8.740 8.518 0.222 19482
790 1 5 . 1 1 93 93 ALA N N 93 130.939 130.939 121.534 9.405 19482
791 1 5 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.560 -0.241 19482
792 1 5 . 1 1 93 93 ALA C C 93 181.664 181.664 175.593 6.071 19482
793 1 5 . 1 1 93 93 ALA CA C 93 53.234 53.234 52.258 0.976 19482
794 1 5 . 1 1 93 93 ALA CB C 93 21.573 21.573 19.030 2.543 19482
795 1 5 . 1 1 93 93 ALA H H 93 7.820 7.820 8.141 -0.321 19482
796 1 6 . 1 1 66 66 PHE N N 66 122.582 122.582 120.480 2.102 19482
797 1 6 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.528 0.889 19482
798 1 6 . 1 1 66 66 PHE C C 66 174.032 174.032 175.417 -1.385 19482
799 1 6 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.303 -2.587 19482
800 1 6 . 1 1 66 66 PHE H H 66 8.956 8.956 8.400 0.556 19482
801 1 6 . 1 1 67 67 VAL N N 67 125.787 125.787 122.100 3.687 19482
802 1 6 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.307 0.694 19482
803 1 6 . 1 1 67 67 VAL C C 67 172.630 172.630 174.949 -2.319 19482
804 1 6 . 1 1 67 67 VAL CA C 67 59.022 59.022 61.452 -2.430 19482
805 1 6 . 1 1 67 67 VAL CB C 67 35.886 35.886 32.457 3.429 19482
806 1 6 . 1 1 67 67 VAL H H 67 8.954 8.954 8.351 0.603 19482
807 1 6 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.326 1.324 19482
808 1 6 . 1 1 68 68 ARG C C 68 176.368 176.368 176.229 0.139 19482
809 1 6 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.681 -3.315 19482
810 1 6 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.730 2.145 19482
811 1 6 . 1 1 69 69 PHE N N 69 124.425 124.425 116.665 7.760 19482
812 1 6 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.655 0.918 19482
813 1 6 . 1 1 69 69 PHE C C 69 170.242 170.242 175.899 -5.657 19482
814 1 6 . 1 1 69 69 PHE CA C 69 55.423 55.423 57.474 -2.051 19482
815 1 6 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.295 3.965 19482
816 1 6 . 1 1 69 69 PHE H H 69 9.058 9.058 7.908 1.150 19482
817 1 6 . 1 1 70 70 GLU N N 70 116.577 116.577 120.048 -3.471 19482
818 1 6 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.236 1.685 19482
819 1 6 . 1 1 70 70 GLU C C 70 174.811 174.811 175.770 -0.959 19482
820 1 6 . 1 1 70 70 GLU CA C 70 52.932 52.932 56.903 -3.971 19482
821 1 6 . 1 1 70 70 GLU CB C 70 36.143 36.143 31.010 5.133 19482
822 1 6 . 1 1 70 70 GLU H H 70 8.572 8.572 7.345 1.227 19482
823 1 6 . 1 1 71 71 VAL N N 71 121.977 121.977 122.484 -0.507 19482
824 1 6 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.330 0.670 19482
825 1 6 . 1 1 71 71 VAL C C 71 170.605 170.605 173.963 -3.358 19482
826 1 6 . 1 1 71 71 VAL CA C 71 57.919 57.919 62.695 -4.776 19482
827 1 6 . 1 1 71 71 VAL CB C 71 37.049 37.049 34.129 2.920 19482
828 1 6 . 1 1 71 71 VAL H H 71 8.882 8.882 8.468 0.414 19482
829 1 6 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.666 0.248 19482
830 1 6 . 1 1 72 72 PRO C C 72 179.275 179.275 175.470 3.805 19482
831 1 6 . 1 1 72 72 PRO CA C 72 64.579 64.579 62.994 1.585 19482
832 1 6 . 1 1 72 72 PRO CB C 72 31.924 31.924 30.836 1.088 19482
833 1 6 . 1 1 73 73 SER N N 73 120.533 120.533 115.850 4.683 19482
834 1 6 . 1 1 73 73 SER HA H 73 3.699 3.699 5.146 -1.447 19482
835 1 6 . 1 1 73 73 SER C C 73 177.355 177.355 172.167 5.188 19482
836 1 6 . 1 1 73 73 SER CA C 73 62.666 62.666 55.998 6.668 19482
837 1 6 . 1 1 73 73 SER CB C 73 62.640 62.640 66.749 -4.109 19482
838 1 6 . 1 1 73 73 SER H H 73 8.932 8.932 7.693 1.239 19482
839 1 6 . 1 1 74 74 GLY N N 74 108.957 108.957 105.955 3.002 19482
840 1 6 . 1 1 74 74 GLY C C 74 174.603 174.603 172.566 2.037 19482
841 1 6 . 1 1 74 74 GLY CA C 74 46.308 46.308 44.632 1.677 19482
842 1 6 . 1 1 74 74 GLY H H 74 9.046 9.046 7.932 1.114 19482
843 1 6 . 1 1 75 75 ASP N N 75 118.276 118.276 123.332 -5.056 19482
844 1 6 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.617 0.401 19482
845 1 6 . 1 1 75 75 ASP C C 75 175.486 175.486 174.656 0.830 19482
846 1 6 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.842 1.899 19482
847 1 6 . 1 1 75 75 ASP CB C 75 42.900 42.900 43.664 -0.764 19482
848 1 6 . 1 1 75 75 ASP H H 75 7.873 7.873 8.539 -0.666 19482
849 1 6 . 1 1 76 76 LEU N N 76 120.899 120.899 126.812 -5.913 19482
850 1 6 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.529 -0.900 19482
851 1 6 . 1 1 76 76 LEU C C 76 176.991 176.991 176.237 0.754 19482
852 1 6 . 1 1 76 76 LEU CA C 76 58.979 58.979 54.454 4.525 19482
853 1 6 . 1 1 76 76 LEU CB C 76 41.622 41.622 43.563 -1.941 19482
854 1 6 . 1 1 76 76 LEU H H 76 7.126 7.126 8.522 -1.396 19482
855 1 6 . 1 1 77 77 ALA N N 77 119.926 119.926 124.251 -4.325 19482
856 1 6 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.550 -0.817 19482
857 1 6 . 1 1 77 77 ALA C C 77 180.158 180.158 176.607 3.551 19482
858 1 6 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.486 4.348 19482
859 1 6 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.237 -3.933 19482
860 1 6 . 1 1 77 77 ALA H H 77 8.680 8.680 8.988 -0.308 19482
861 1 6 . 1 1 78 78 ALA N N 78 121.891 121.891 127.923 -6.032 19482
862 1 6 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.037 -0.095 19482
863 1 6 . 1 1 78 78 ALA C C 78 180.002 180.002 177.535 2.467 19482
864 1 6 . 1 1 78 78 ALA CA C 78 54.741 54.741 52.863 1.878 19482
865 1 6 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.479 -0.082 19482
866 1 6 . 1 1 78 78 ALA H H 78 8.056 8.056 9.031 -0.975 19482
867 1 6 . 1 1 79 79 LEU N N 79 123.051 123.051 115.881 7.170 19482
868 1 6 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.112 -1.231 19482
869 1 6 . 1 1 79 79 LEU C C 79 178.704 178.704 174.885 3.819 19482
870 1 6 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.625 4.187 19482
871 1 6 . 1 1 79 79 LEU H H 79 7.775 7.775 8.615 -0.840 19482
872 1 6 . 1 1 80 80 LEU N N 80 120.108 120.108 118.017 2.091 19482
873 1 6 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.528 -0.951 19482
874 1 6 . 1 1 80 80 LEU C C 80 179.224 179.224 174.018 5.206 19482
875 1 6 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.916 3.666 19482
876 1 6 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.992 -3.848 19482
877 1 6 . 1 1 80 80 LEU H H 80 8.546 8.546 7.502 1.044 19482
878 1 6 . 1 1 81 81 SER N N 81 113.635 113.635 116.743 -3.108 19482
879 1 6 . 1 1 81 81 SER HA H 81 4.041 4.041 4.984 -0.943 19482
880 1 6 . 1 1 81 81 SER C C 81 176.939 176.939 172.957 3.982 19482
881 1 6 . 1 1 81 81 SER CA C 81 62.029 62.029 56.987 5.042 19482
882 1 6 . 1 1 81 81 SER CB C 81 62.708 62.708 63.968 -1.260 19482
883 1 6 . 1 1 81 81 SER H H 81 8.117 8.117 9.324 -1.207 19482
884 1 6 . 1 1 82 82 SER N N 82 117.004 117.004 122.322 -5.318 19482
885 1 6 . 1 1 82 82 SER HA H 82 4.155 4.155 5.289 -1.134 19482
886 1 6 . 1 1 82 82 SER C C 82 177.355 177.355 174.048 3.307 19482
887 1 6 . 1 1 82 82 SER CA C 82 62.600 62.600 56.877 5.723 19482
888 1 6 . 1 1 82 82 SER CB C 82 63.330 63.330 62.872 0.458 19482
889 1 6 . 1 1 82 82 SER H H 82 7.704 7.704 7.920 -0.216 19482
890 1 6 . 1 1 83 83 VAL N N 83 123.259 123.259 121.322 1.937 19482
891 1 6 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.606 -1.220 19482
892 1 6 . 1 1 83 83 VAL C C 83 178.601 178.601 173.551 5.050 19482
893 1 6 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.453 5.040 19482
894 1 6 . 1 1 83 83 VAL CB C 83 31.240 31.240 33.649 -2.409 19482
895 1 6 . 1 1 83 83 VAL H H 83 8.666 8.666 8.569 0.097 19482
896 1 6 . 1 1 84 84 ARG N N 84 119.832 119.832 117.570 2.262 19482
897 1 6 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.190 -1.005 19482
898 1 6 . 1 1 84 84 ARG C C 84 176.887 176.887 175.042 1.845 19482
899 1 6 . 1 1 84 84 ARG CA C 84 58.977 58.977 55.150 3.827 19482
900 1 6 . 1 1 84 84 ARG CB C 84 29.912 29.912 34.328 -4.416 19482
901 1 6 . 1 1 84 84 ARG H H 84 8.075 8.075 8.403 -0.328 19482
902 1 6 . 1 1 85 85 ARG N N 85 115.505 115.505 119.843 -4.338 19482
903 1 6 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.761 -0.524 19482
904 1 6 . 1 1 85 85 ARG C C 85 177.666 177.666 174.760 2.906 19482
905 1 6 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.856 2.098 19482
906 1 6 . 1 1 85 85 ARG CB C 85 30.830 30.830 33.021 -2.191 19482
907 1 6 . 1 1 85 85 ARG H H 85 7.190 7.190 8.637 -1.447 19482
908 1 6 . 1 1 86 86 VAL N N 86 111.155 111.155 121.786 -10.631 19482
909 1 6 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.355 -0.903 19482
910 1 6 . 1 1 86 86 VAL C C 86 174.188 174.188 175.086 -0.898 19482
911 1 6 . 1 1 86 86 VAL CA C 86 60.617 60.617 61.119 -0.502 19482
912 1 6 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.589 -1.709 19482
913 1 6 . 1 1 86 86 VAL H H 86 7.278 7.278 8.727 -1.449 19482
914 1 6 . 1 1 87 87 SER N N 87 115.486 115.486 117.148 -1.662 19482
915 1 6 . 1 1 87 87 SER HA H 87 4.827 4.827 4.819 0.008 19482
916 1 6 . 1 1 87 87 SER C C 87 172.474 172.474 171.979 0.495 19482
917 1 6 . 1 1 87 87 SER CA C 87 57.870 57.870 58.768 -0.898 19482
918 1 6 . 1 1 87 87 SER CB C 87 65.262 65.262 65.024 0.238 19482
919 1 6 . 1 1 87 87 SER H H 87 7.636 7.636 8.549 -0.913 19482
920 1 6 . 1 1 88 88 ASP N N 88 120.900 120.900 125.921 -5.021 19482
921 1 6 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.431 0.535 19482
922 1 6 . 1 1 88 88 ASP C C 88 175.399 175.399 173.968 1.431 19482
923 1 6 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.858 0.942 19482
924 1 6 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.200 1.500 19482
925 1 6 . 1 1 88 88 ASP H H 88 8.840 8.840 8.423 0.417 19482
926 1 6 . 1 1 89 89 ASP N N 89 118.474 118.474 119.019 -0.545 19482
927 1 6 . 1 1 89 89 ASP HA H 89 4.480 4.480 5.178 -0.698 19482
928 1 6 . 1 1 89 89 ASP C C 89 174.343 174.343 174.703 -0.360 19482
929 1 6 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.196 2.143 19482
930 1 6 . 1 1 89 89 ASP CB C 89 40.674 40.674 41.818 -1.144 19482
931 1 6 . 1 1 89 89 ASP H H 89 8.495 8.495 8.313 0.182 19482
932 1 6 . 1 1 90 90 VAL N N 90 119.779 119.779 120.961 -1.182 19482
933 1 6 . 1 1 90 90 VAL HA H 90 4.725 4.725 3.970 0.755 19482
934 1 6 . 1 1 90 90 VAL C C 90 176.680 176.680 176.226 0.454 19482
935 1 6 . 1 1 90 90 VAL CA C 90 62.693 62.693 63.234 -0.541 19482
936 1 6 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.406 -0.106 19482
937 1 6 . 1 1 90 90 VAL H H 90 7.997 7.997 8.476 -0.479 19482
938 1 6 . 1 1 91 91 ARG N N 91 126.330 126.330 117.225 9.105 19482
939 1 6 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.170 0.591 19482
940 1 6 . 1 1 91 91 ARG C C 91 174.084 174.084 175.324 -1.240 19482
941 1 6 . 1 1 91 91 ARG CA C 91 55.085 55.085 55.846 -0.761 19482
942 1 6 . 1 1 91 91 ARG H H 91 9.183 9.183 8.069 1.114 19482
943 1 6 . 1 1 92 92 SER N N 92 115.701 115.701 111.641 4.060 19482
944 1 6 . 1 1 92 92 SER HA H 92 4.995 4.995 4.575 0.420 19482
945 1 6 . 1 1 92 92 SER C C 92 173.616 173.616 174.659 -1.043 19482
946 1 6 . 1 1 92 92 SER CA C 92 59.519 59.519 58.586 0.933 19482
947 1 6 . 1 1 92 92 SER CB C 92 64.634 64.634 64.371 0.263 19482
948 1 6 . 1 1 92 92 SER H H 92 8.740 8.740 7.977 0.763 19482
949 1 6 . 1 1 93 93 ALA N N 93 130.939 130.939 123.657 7.282 19482
950 1 6 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.668 -0.349 19482
951 1 6 . 1 1 93 93 ALA C C 93 181.664 181.664 175.421 6.243 19482
952 1 6 . 1 1 93 93 ALA CA C 93 53.234 53.234 51.259 1.975 19482
953 1 6 . 1 1 93 93 ALA CB C 93 21.573 21.573 19.259 2.314 19482
954 1 6 . 1 1 93 93 ALA H H 93 7.820 7.820 7.893 -0.073 19482
955 1 7 . 1 1 66 66 PHE N N 66 122.582 122.582 121.195 1.387 19482
956 1 7 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.474 0.943 19482
957 1 7 . 1 1 66 66 PHE C C 66 174.032 174.032 173.630 0.402 19482
958 1 7 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.085 -2.369 19482
959 1 7 . 1 1 66 66 PHE H H 66 8.956 8.956 8.024 0.932 19482
960 1 7 . 1 1 67 67 VAL N N 67 125.787 125.787 119.026 6.761 19482
961 1 7 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.339 0.662 19482
962 1 7 . 1 1 67 67 VAL C C 67 172.630 172.630 174.436 -1.806 19482
963 1 7 . 1 1 67 67 VAL CA C 67 59.022 59.022 61.354 -2.332 19482
964 1 7 . 1 1 67 67 VAL CB C 67 35.886 35.886 33.273 2.614 19482
965 1 7 . 1 1 67 67 VAL H H 67 8.954 8.954 8.192 0.762 19482
966 1 7 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.365 1.285 19482
967 1 7 . 1 1 68 68 ARG C C 68 176.368 176.368 176.044 0.324 19482
968 1 7 . 1 1 68 68 ARG CA C 68 54.366 54.366 56.904 -2.538 19482
969 1 7 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.889 1.986 19482
970 1 7 . 1 1 69 69 PHE N N 69 124.425 124.425 117.174 7.251 19482
971 1 7 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.867 0.706 19482
972 1 7 . 1 1 69 69 PHE C C 69 170.242 170.242 175.245 -5.003 19482
973 1 7 . 1 1 69 69 PHE CA C 69 55.423 55.423 56.419 -0.996 19482
974 1 7 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.181 4.079 19482
975 1 7 . 1 1 69 69 PHE H H 69 9.058 9.058 7.836 1.222 19482
976 1 7 . 1 1 70 70 GLU N N 70 116.577 116.577 118.708 -2.131 19482
977 1 7 . 1 1 70 70 GLU HA H 70 5.921 5.921 3.923 1.998 19482
978 1 7 . 1 1 70 70 GLU C C 70 174.811 174.811 176.426 -1.615 19482
979 1 7 . 1 1 70 70 GLU CA C 70 52.932 52.932 57.439 -4.507 19482
980 1 7 . 1 1 70 70 GLU CB C 70 36.143 36.143 30.665 5.478 19482
981 1 7 . 1 1 70 70 GLU H H 70 8.572 8.572 7.806 0.766 19482
982 1 7 . 1 1 71 71 VAL N N 71 121.977 121.977 118.036 3.941 19482
983 1 7 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.361 0.639 19482
984 1 7 . 1 1 71 71 VAL C C 71 170.605 170.605 174.981 -4.376 19482
985 1 7 . 1 1 71 71 VAL CA C 71 57.919 57.919 63.980 -6.061 19482
986 1 7 . 1 1 71 71 VAL CB C 71 37.049 37.049 32.715 4.334 19482
987 1 7 . 1 1 71 71 VAL H H 71 8.882 8.882 8.437 0.445 19482
988 1 7 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.675 0.239 19482
989 1 7 . 1 1 72 72 PRO C C 72 179.275 179.275 175.763 3.512 19482
990 1 7 . 1 1 72 72 PRO CA C 72 64.579 64.579 61.991 2.588 19482
991 1 7 . 1 1 72 72 PRO CB C 72 31.924 31.924 30.560 1.364 19482
992 1 7 . 1 1 73 73 SER N N 73 120.533 120.533 115.382 5.151 19482
993 1 7 . 1 1 73 73 SER HA H 73 3.699 3.699 4.798 -1.099 19482
994 1 7 . 1 1 73 73 SER C C 73 177.355 177.355 171.929 5.426 19482
995 1 7 . 1 1 73 73 SER CA C 73 62.666 62.666 56.531 6.135 19482
996 1 7 . 1 1 73 73 SER CB C 73 62.640 62.640 65.816 -3.176 19482
997 1 7 . 1 1 73 73 SER H H 73 8.932 8.932 7.632 1.300 19482
998 1 7 . 1 1 74 74 GLY N N 74 108.957 108.957 104.941 4.016 19482
999 1 7 . 1 1 74 74 GLY C C 74 174.603 174.603 172.590 2.013 19482
1000 1 7 . 1 1 74 74 GLY CA C 74 46.308 46.308 44.630 1.678 19482
1001 1 7 . 1 1 74 74 GLY H H 74 9.046 9.046 7.828 1.218 19482
1002 1 7 . 1 1 75 75 ASP N N 75 118.276 118.276 123.199 -4.923 19482
1003 1 7 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.751 0.267 19482
1004 1 7 . 1 1 75 75 ASP C C 75 175.486 175.486 174.988 0.498 19482
1005 1 7 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.996 1.745 19482
1006 1 7 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.051 -1.151 19482
1007 1 7 . 1 1 75 75 ASP H H 75 7.873 7.873 8.524 -0.651 19482
1008 1 7 . 1 1 76 76 LEU N N 76 120.899 120.899 125.612 -4.713 19482
1009 1 7 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.727 -1.098 19482
1010 1 7 . 1 1 76 76 LEU C C 76 176.991 176.991 176.381 0.610 19482
1011 1 7 . 1 1 76 76 LEU CA C 76 58.979 58.979 54.409 4.570 19482
1012 1 7 . 1 1 76 76 LEU CB C 76 41.622 41.622 43.449 -1.827 19482
1013 1 7 . 1 1 76 76 LEU H H 76 7.126 7.126 8.571 -1.445 19482
1014 1 7 . 1 1 77 77 ALA N N 77 119.926 119.926 124.502 -4.576 19482
1015 1 7 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.592 -0.859 19482
1016 1 7 . 1 1 77 77 ALA C C 77 180.158 180.158 176.713 3.445 19482
1017 1 7 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.384 4.450 19482
1018 1 7 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.588 -4.284 19482
1019 1 7 . 1 1 77 77 ALA H H 77 8.680 8.680 9.109 -0.429 19482
1020 1 7 . 1 1 78 78 ALA N N 78 121.891 121.891 128.267 -6.376 19482
1021 1 7 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.001 -0.059 19482
1022 1 7 . 1 1 78 78 ALA C C 78 180.002 180.002 177.444 2.558 19482
1023 1 7 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.519 1.222 19482
1024 1 7 . 1 1 78 78 ALA CB C 78 18.397 18.397 17.873 0.524 19482
1025 1 7 . 1 1 78 78 ALA H H 78 8.056 8.056 9.047 -0.991 19482
1026 1 7 . 1 1 79 79 LEU N N 79 123.051 123.051 116.659 6.392 19482
1027 1 7 . 1 1 79 79 LEU HA H 79 2.881 2.881 3.969 -1.088 19482
1028 1 7 . 1 1 79 79 LEU C C 79 178.704 178.704 175.162 3.542 19482
1029 1 7 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.598 4.214 19482
1030 1 7 . 1 1 79 79 LEU H H 79 7.775 7.775 8.750 -0.975 19482
1031 1 7 . 1 1 80 80 LEU N N 80 120.108 120.108 119.526 0.582 19482
1032 1 7 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.455 -0.878 19482
1033 1 7 . 1 1 80 80 LEU C C 80 179.224 179.224 173.991 5.233 19482
1034 1 7 . 1 1 80 80 LEU CA C 80 57.581 57.581 54.151 3.430 19482
1035 1 7 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.952 -3.807 19482
1036 1 7 . 1 1 80 80 LEU H H 80 8.546 8.546 7.939 0.607 19482
1037 1 7 . 1 1 81 81 SER N N 81 113.635 113.635 115.976 -2.341 19482
1038 1 7 . 1 1 81 81 SER HA H 81 4.041 4.041 4.927 -0.886 19482
1039 1 7 . 1 1 81 81 SER C C 81 176.939 176.939 172.940 3.999 19482
1040 1 7 . 1 1 81 81 SER CA C 81 62.029 62.029 56.736 5.293 19482
1041 1 7 . 1 1 81 81 SER CB C 81 62.708 62.708 64.536 -1.828 19482
1042 1 7 . 1 1 81 81 SER H H 81 8.117 8.117 9.200 -1.083 19482
1043 1 7 . 1 1 82 82 SER N N 82 117.004 117.004 122.487 -5.483 19482
1044 1 7 . 1 1 82 82 SER HA H 82 4.155 4.155 5.081 -0.926 19482
1045 1 7 . 1 1 82 82 SER C C 82 177.355 177.355 174.013 3.342 19482
1046 1 7 . 1 1 82 82 SER CA C 82 62.600 62.600 57.096 5.505 19482
1047 1 7 . 1 1 82 82 SER CB C 82 63.330 63.330 62.778 0.552 19482
1048 1 7 . 1 1 82 82 SER H H 82 7.704 7.704 8.007 -0.303 19482
1049 1 7 . 1 1 83 83 VAL N N 83 123.259 123.259 121.968 1.291 19482
1050 1 7 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.764 -1.378 19482
1051 1 7 . 1 1 83 83 VAL C C 83 178.601 178.601 173.309 5.292 19482
1052 1 7 . 1 1 83 83 VAL CA C 83 66.492 66.492 60.935 5.557 19482
1053 1 7 . 1 1 83 83 VAL CB C 83 31.240 31.240 34.534 -3.294 19482
1054 1 7 . 1 1 83 83 VAL H H 83 8.666 8.666 8.605 0.061 19482
1055 1 7 . 1 1 84 84 ARG N N 84 119.832 119.832 117.223 2.609 19482
1056 1 7 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.182 -0.997 19482
1057 1 7 . 1 1 84 84 ARG C C 84 176.887 176.887 174.989 1.898 19482
1058 1 7 . 1 1 84 84 ARG CA C 84 58.977 58.977 55.157 3.821 19482
1059 1 7 . 1 1 84 84 ARG CB C 84 29.912 29.912 34.326 -4.414 19482
1060 1 7 . 1 1 84 84 ARG H H 84 8.075 8.075 8.381 -0.306 19482
1061 1 7 . 1 1 85 85 ARG N N 85 115.505 115.505 120.025 -4.520 19482
1062 1 7 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.772 -0.535 19482
1063 1 7 . 1 1 85 85 ARG C C 85 177.666 177.666 174.646 3.020 19482
1064 1 7 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.937 2.017 19482
1065 1 7 . 1 1 85 85 ARG CB C 85 30.830 30.830 33.110 -2.280 19482
1066 1 7 . 1 1 85 85 ARG H H 85 7.190 7.190 8.809 -1.619 19482
1067 1 7 . 1 1 86 86 VAL N N 86 111.155 111.155 121.666 -10.511 19482
1068 1 7 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.457 -1.005 19482
1069 1 7 . 1 1 86 86 VAL C C 86 174.188 174.188 175.112 -0.924 19482
1070 1 7 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.765 -0.148 19482
1071 1 7 . 1 1 86 86 VAL CB C 86 32.880 32.880 35.067 -2.187 19482
1072 1 7 . 1 1 86 86 VAL H H 86 7.278 7.278 8.681 -1.403 19482
1073 1 7 . 1 1 87 87 SER N N 87 115.486 115.486 115.514 -0.028 19482
1074 1 7 . 1 1 87 87 SER HA H 87 4.827 4.827 4.924 -0.097 19482
1075 1 7 . 1 1 87 87 SER C C 87 172.474 172.474 172.035 0.439 19482
1076 1 7 . 1 1 87 87 SER CA C 87 57.870 57.870 58.220 -0.350 19482
1077 1 7 . 1 1 87 87 SER CB C 87 65.262 65.262 66.373 -1.111 19482
1078 1 7 . 1 1 87 87 SER H H 87 7.636 7.636 8.432 -0.796 19482
1079 1 7 . 1 1 88 88 ASP N N 88 120.900 120.900 123.317 -2.417 19482
1080 1 7 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.568 0.398 19482
1081 1 7 . 1 1 88 88 ASP C C 88 175.399 175.399 173.997 1.402 19482
1082 1 7 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.584 1.216 19482
1083 1 7 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.888 0.812 19482
1084 1 7 . 1 1 88 88 ASP H H 88 8.840 8.840 8.588 0.252 19482
1085 1 7 . 1 1 89 89 ASP N N 89 118.474 118.474 120.298 -1.824 19482
1086 1 7 . 1 1 89 89 ASP HA H 89 4.480 4.480 5.186 -0.706 19482
1087 1 7 . 1 1 89 89 ASP C C 89 174.343 174.343 176.942 -2.599 19482
1088 1 7 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.672 1.667 19482
1089 1 7 . 1 1 89 89 ASP CB C 89 40.674 40.674 43.581 -2.907 19482
1090 1 7 . 1 1 89 89 ASP H H 89 8.495 8.495 8.780 -0.285 19482
1091 1 7 . 1 1 90 90 VAL N N 90 119.779 119.779 120.731 -0.952 19482
1092 1 7 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.083 0.642 19482
1093 1 7 . 1 1 90 90 VAL C C 90 176.680 176.680 176.297 0.383 19482
1094 1 7 . 1 1 90 90 VAL CA C 90 62.693 62.693 64.464 -1.771 19482
1095 1 7 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.284 0.016 19482
1096 1 7 . 1 1 90 90 VAL H H 90 7.997 7.997 8.858 -0.861 19482
1097 1 7 . 1 1 91 91 ARG N N 91 126.330 126.330 118.206 8.124 19482
1098 1 7 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.390 0.371 19482
1099 1 7 . 1 1 91 91 ARG C C 91 174.084 174.084 175.709 -1.625 19482
1100 1 7 . 1 1 91 91 ARG CA C 91 55.085 55.085 56.266 -1.181 19482
1101 1 7 . 1 1 91 91 ARG H H 91 9.183 9.183 8.149 1.034 19482
1102 1 7 . 1 1 92 92 SER N N 92 115.701 115.701 114.012 1.689 19482
1103 1 7 . 1 1 92 92 SER HA H 92 4.995 4.995 4.670 0.325 19482
1104 1 7 . 1 1 92 92 SER C C 92 173.616 173.616 173.338 0.278 19482
1105 1 7 . 1 1 92 92 SER CA C 92 59.519 59.519 56.927 2.592 19482
1106 1 7 . 1 1 92 92 SER CB C 92 64.634 64.634 64.451 0.183 19482
1107 1 7 . 1 1 92 92 SER H H 92 8.740 8.740 7.672 1.068 19482
1108 1 7 . 1 1 93 93 ALA N N 93 130.939 130.939 121.477 9.462 19482
1109 1 7 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.176 0.143 19482
1110 1 7 . 1 1 93 93 ALA C C 93 181.664 181.664 175.485 6.179 19482
1111 1 7 . 1 1 93 93 ALA CA C 93 53.234 53.234 51.999 1.235 19482
1112 1 7 . 1 1 93 93 ALA CB C 93 21.573 21.573 18.453 3.120 19482
1113 1 7 . 1 1 93 93 ALA H H 93 7.820 7.820 8.386 -0.566 19482
1114 1 8 . 1 1 66 66 PHE N N 66 122.582 122.582 123.311 -0.729 19482
1115 1 8 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.435 0.982 19482
1116 1 8 . 1 1 66 66 PHE C C 66 174.032 174.032 174.606 -0.574 19482
1117 1 8 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.146 -2.430 19482
1118 1 8 . 1 1 66 66 PHE H H 66 8.956 8.956 8.328 0.628 19482
1119 1 8 . 1 1 67 67 VAL N N 67 125.787 125.787 122.331 3.456 19482
1120 1 8 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.684 0.317 19482
1121 1 8 . 1 1 67 67 VAL C C 67 172.630 172.630 175.409 -2.779 19482
1122 1 8 . 1 1 67 67 VAL CA C 67 59.022 59.022 60.442 -1.420 19482
1123 1 8 . 1 1 67 67 VAL CB C 67 35.886 35.886 33.380 2.506 19482
1124 1 8 . 1 1 67 67 VAL H H 67 8.954 8.954 8.216 0.738 19482
1125 1 8 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.304 1.346 19482
1126 1 8 . 1 1 68 68 ARG C C 68 176.368 176.368 175.520 0.848 19482
1127 1 8 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.569 -3.203 19482
1128 1 8 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.628 2.247 19482
1129 1 8 . 1 1 69 69 PHE N N 69 124.425 124.425 117.805 6.620 19482
1130 1 8 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.837 0.736 19482
1131 1 8 . 1 1 69 69 PHE C C 69 170.242 170.242 175.022 -4.780 19482
1132 1 8 . 1 1 69 69 PHE CA C 69 55.423 55.423 57.562 -2.139 19482
1133 1 8 . 1 1 69 69 PHE CB C 69 42.260 42.260 37.645 4.615 19482
1134 1 8 . 1 1 69 69 PHE H H 69 9.058 9.058 7.922 1.136 19482
1135 1 8 . 1 1 70 70 GLU N N 70 116.577 116.577 118.806 -2.229 19482
1136 1 8 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.391 1.530 19482
1137 1 8 . 1 1 70 70 GLU C C 70 174.811 174.811 175.054 -0.243 19482
1138 1 8 . 1 1 70 70 GLU CA C 70 52.932 52.932 56.681 -3.749 19482
1139 1 8 . 1 1 70 70 GLU CB C 70 36.143 36.143 32.833 3.310 19482
1140 1 8 . 1 1 70 70 GLU H H 70 8.572 8.572 7.346 1.226 19482
1141 1 8 . 1 1 71 71 VAL N N 71 121.977 121.977 120.294 1.683 19482
1142 1 8 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.243 0.757 19482
1143 1 8 . 1 1 71 71 VAL C C 71 170.605 170.605 175.109 -4.504 19482
1144 1 8 . 1 1 71 71 VAL CA C 71 57.919 57.919 62.783 -4.864 19482
1145 1 8 . 1 1 71 71 VAL CB C 71 37.049 37.049 32.434 4.615 19482
1146 1 8 . 1 1 71 71 VAL H H 71 8.882 8.882 8.391 0.491 19482
1147 1 8 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.283 0.631 19482
1148 1 8 . 1 1 72 72 PRO C C 72 179.275 179.275 176.660 2.615 19482
1149 1 8 . 1 1 72 72 PRO CA C 72 64.579 64.579 64.708 -0.129 19482
1150 1 8 . 1 1 72 72 PRO CB C 72 31.924 31.924 31.294 0.630 19482
1151 1 8 . 1 1 73 73 SER N N 73 120.533 120.533 117.941 2.592 19482
1152 1 8 . 1 1 73 73 SER HA H 73 3.699 3.699 4.799 -1.100 19482
1153 1 8 . 1 1 73 73 SER C C 73 177.355 177.355 172.751 4.604 19482
1154 1 8 . 1 1 73 73 SER CA C 73 62.666 62.666 55.422 7.244 19482
1155 1 8 . 1 1 73 73 SER CB C 73 62.640 62.640 66.576 -3.937 19482
1156 1 8 . 1 1 73 73 SER H H 73 8.932 8.932 7.829 1.103 19482
1157 1 8 . 1 1 74 74 GLY N N 74 108.957 108.957 104.613 4.344 19482
1158 1 8 . 1 1 74 74 GLY C C 74 174.603 174.603 172.351 2.252 19482
1159 1 8 . 1 1 74 74 GLY CA C 74 46.308 46.308 43.400 2.908 19482
1160 1 8 . 1 1 74 74 GLY H H 74 9.046 9.046 7.942 1.104 19482
1161 1 8 . 1 1 75 75 ASP N N 75 118.276 118.276 120.874 -2.598 19482
1162 1 8 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.672 0.346 19482
1163 1 8 . 1 1 75 75 ASP C C 75 175.486 175.486 174.027 1.459 19482
1164 1 8 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.190 2.551 19482
1165 1 8 . 1 1 75 75 ASP CB C 75 42.900 42.900 43.864 -0.964 19482
1166 1 8 . 1 1 75 75 ASP H H 75 7.873 7.873 8.901 -1.028 19482
1167 1 8 . 1 1 76 76 LEU N N 76 120.899 120.899 118.054 2.845 19482
1168 1 8 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.703 -1.074 19482
1169 1 8 . 1 1 76 76 LEU C C 76 176.991 176.991 175.302 1.689 19482
1170 1 8 . 1 1 76 76 LEU CA C 76 58.979 58.979 54.134 4.845 19482
1171 1 8 . 1 1 76 76 LEU CB C 76 41.622 41.622 46.280 -4.658 19482
1172 1 8 . 1 1 76 76 LEU H H 76 7.126 7.126 8.179 -1.053 19482
1173 1 8 . 1 1 77 77 ALA N N 77 119.926 119.926 122.687 -2.761 19482
1174 1 8 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.485 -0.752 19482
1175 1 8 . 1 1 77 77 ALA C C 77 180.158 180.158 175.779 4.379 19482
1176 1 8 . 1 1 77 77 ALA CA C 77 55.834 55.834 52.488 3.346 19482
1177 1 8 . 1 1 77 77 ALA CB C 77 17.304 17.304 20.820 -3.515 19482
1178 1 8 . 1 1 77 77 ALA H H 77 8.680 8.680 8.492 0.188 19482
1179 1 8 . 1 1 78 78 ALA N N 78 121.891 121.891 127.612 -5.721 19482
1180 1 8 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.070 -0.128 19482
1181 1 8 . 1 1 78 78 ALA C C 78 180.002 180.002 176.855 3.147 19482
1182 1 8 . 1 1 78 78 ALA CA C 78 54.741 54.741 54.062 0.679 19482
1183 1 8 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.430 -0.033 19482
1184 1 8 . 1 1 78 78 ALA H H 78 8.056 8.056 8.799 -0.743 19482
1185 1 8 . 1 1 79 79 LEU N N 79 123.051 123.051 115.309 7.742 19482
1186 1 8 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.009 -1.128 19482
1187 1 8 . 1 1 79 79 LEU C C 79 178.704 178.704 175.291 3.413 19482
1188 1 8 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.539 4.273 19482
1189 1 8 . 1 1 79 79 LEU H H 79 7.775 7.775 8.205 -0.430 19482
1190 1 8 . 1 1 80 80 LEU N N 80 120.108 120.108 119.825 0.283 19482
1191 1 8 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.511 -0.934 19482
1192 1 8 . 1 1 80 80 LEU C C 80 179.224 179.224 173.972 5.252 19482
1193 1 8 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.881 3.700 19482
1194 1 8 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.677 -3.532 19482
1195 1 8 . 1 1 80 80 LEU H H 80 8.546 8.546 7.771 0.775 19482
1196 1 8 . 1 1 81 81 SER N N 81 113.635 113.635 114.270 -0.635 19482
1197 1 8 . 1 1 81 81 SER HA H 81 4.041 4.041 5.126 -1.085 19482
1198 1 8 . 1 1 81 81 SER C C 81 176.939 176.939 172.584 4.355 19482
1199 1 8 . 1 1 81 81 SER CA C 81 62.029 62.029 56.587 5.442 19482
1200 1 8 . 1 1 81 81 SER CB C 81 62.708 62.708 66.088 -3.380 19482
1201 1 8 . 1 1 81 81 SER H H 81 8.117 8.117 8.887 -0.770 19482
1202 1 8 . 1 1 82 82 SER N N 82 117.004 117.004 120.790 -3.786 19482
1203 1 8 . 1 1 82 82 SER HA H 82 4.155 4.155 5.310 -1.155 19482
1204 1 8 . 1 1 82 82 SER C C 82 177.355 177.355 173.913 3.442 19482
1205 1 8 . 1 1 82 82 SER CA C 82 62.600 62.600 56.335 6.265 19482
1206 1 8 . 1 1 82 82 SER CB C 82 63.330 63.330 64.014 -0.684 19482
1207 1 8 . 1 1 82 82 SER H H 82 7.704 7.704 8.732 -1.028 19482
1208 1 8 . 1 1 83 83 VAL N N 83 123.259 123.259 119.832 3.427 19482
1209 1 8 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.654 -1.268 19482
1210 1 8 . 1 1 83 83 VAL C C 83 178.601 178.601 173.714 4.887 19482
1211 1 8 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.106 5.386 19482
1212 1 8 . 1 1 83 83 VAL CB C 83 31.240 31.240 34.482 -3.242 19482
1213 1 8 . 1 1 83 83 VAL H H 83 8.666 8.666 8.478 0.188 19482
1214 1 8 . 1 1 84 84 ARG N N 84 119.832 119.832 118.558 1.274 19482
1215 1 8 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.429 -1.244 19482
1216 1 8 . 1 1 84 84 ARG C C 84 176.887 176.887 174.893 1.994 19482
1217 1 8 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.986 3.991 19482
1218 1 8 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.478 -3.566 19482
1219 1 8 . 1 1 84 84 ARG H H 84 8.075 8.075 8.365 -0.290 19482
1220 1 8 . 1 1 85 85 ARG N N 85 115.505 115.505 121.171 -5.666 19482
1221 1 8 . 1 1 85 85 ARG HA H 85 4.237 4.237 5.609 -1.372 19482
1222 1 8 . 1 1 85 85 ARG C C 85 177.666 177.666 175.646 2.020 19482
1223 1 8 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.321 2.633 19482
1224 1 8 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.720 -1.890 19482
1225 1 8 . 1 1 85 85 ARG H H 85 7.190 7.190 8.700 -1.510 19482
1226 1 8 . 1 1 86 86 VAL N N 86 111.155 111.155 121.119 -9.964 19482
1227 1 8 . 1 1 86 86 VAL HA H 86 4.452 4.452 4.784 -0.332 19482
1228 1 8 . 1 1 86 86 VAL C C 86 174.188 174.188 174.470 -0.282 19482
1229 1 8 . 1 1 86 86 VAL CA C 86 60.617 60.617 61.550 -0.933 19482
1230 1 8 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.459 -1.579 19482
1231 1 8 . 1 1 86 86 VAL H H 86 7.278 7.278 8.964 -1.686 19482
1232 1 8 . 1 1 87 87 SER N N 87 115.486 115.486 115.967 -0.481 19482
1233 1 8 . 1 1 87 87 SER HA H 87 4.827 4.827 4.772 0.055 19482
1234 1 8 . 1 1 87 87 SER C C 87 172.474 172.474 172.022 0.452 19482
1235 1 8 . 1 1 87 87 SER CA C 87 57.870 57.870 57.902 -0.032 19482
1236 1 8 . 1 1 87 87 SER CB C 87 65.262 65.262 66.805 -1.543 19482
1237 1 8 . 1 1 87 87 SER H H 87 7.636 7.636 8.645 -1.009 19482
1238 1 8 . 1 1 88 88 ASP N N 88 120.900 120.900 126.807 -5.907 19482
1239 1 8 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.276 0.690 19482
1240 1 8 . 1 1 88 88 ASP C C 88 175.399 175.399 173.792 1.607 19482
1241 1 8 . 1 1 88 88 ASP CA C 88 53.800 53.800 53.452 0.348 19482
1242 1 8 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.477 1.223 19482
1243 1 8 . 1 1 88 88 ASP H H 88 8.840 8.840 8.025 0.815 19482
1244 1 8 . 1 1 89 89 ASP N N 89 118.474 118.474 121.805 -3.331 19482
1245 1 8 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.901 -0.421 19482
1246 1 8 . 1 1 89 89 ASP C C 89 174.343 174.343 175.733 -1.390 19482
1247 1 8 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.104 2.235 19482
1248 1 8 . 1 1 89 89 ASP CB C 89 40.674 40.674 40.753 -0.079 19482
1249 1 8 . 1 1 89 89 ASP H H 89 8.495 8.495 8.086 0.409 19482
1250 1 8 . 1 1 90 90 VAL N N 90 119.779 119.779 119.156 0.623 19482
1251 1 8 . 1 1 90 90 VAL HA H 90 4.725 4.725 3.852 0.873 19482
1252 1 8 . 1 1 90 90 VAL C C 90 176.680 176.680 176.252 0.428 19482
1253 1 8 . 1 1 90 90 VAL CA C 90 62.693 62.693 62.414 0.279 19482
1254 1 8 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.463 -0.163 19482
1255 1 8 . 1 1 90 90 VAL H H 90 7.997 7.997 8.081 -0.084 19482
1256 1 8 . 1 1 91 91 ARG N N 91 126.330 126.330 121.447 4.883 19482
1257 1 8 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.153 0.608 19482
1258 1 8 . 1 1 91 91 ARG C C 91 174.084 174.084 175.656 -1.572 19482
1259 1 8 . 1 1 91 91 ARG CA C 91 55.085 55.085 55.710 -0.625 19482
1260 1 8 . 1 1 91 91 ARG H H 91 9.183 9.183 8.612 0.571 19482
1261 1 8 . 1 1 92 92 SER N N 92 115.701 115.701 112.217 3.484 19482
1262 1 8 . 1 1 92 92 SER HA H 92 4.995 4.995 3.941 1.054 19482
1263 1 8 . 1 1 92 92 SER C C 92 173.616 173.616 173.829 -0.213 19482
1264 1 8 . 1 1 92 92 SER CA C 92 59.519 59.519 60.218 -0.699 19482
1265 1 8 . 1 1 92 92 SER CB C 92 64.634 64.634 62.080 2.554 19482
1266 1 8 . 1 1 92 92 SER H H 92 8.740 8.740 8.167 0.573 19482
1267 1 8 . 1 1 93 93 ALA N N 93 130.939 130.939 124.746 6.193 19482
1268 1 8 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.793 -0.474 19482
1269 1 8 . 1 1 93 93 ALA C C 93 181.664 181.664 176.214 5.450 19482
1270 1 8 . 1 1 93 93 ALA CA C 93 53.234 53.234 48.773 4.461 19482
1271 1 8 . 1 1 93 93 ALA CB C 93 21.573 21.573 18.761 2.812 19482
1272 1 8 . 1 1 93 93 ALA H H 93 7.820 7.820 7.995 -0.175 19482
1273 1 9 . 1 1 66 66 PHE N N 66 122.582 122.582 123.495 -0.913 19482
1274 1 9 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.241 1.176 19482
1275 1 9 . 1 1 66 66 PHE C C 66 174.032 174.032 175.350 -1.318 19482
1276 1 9 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.169 -2.453 19482
1277 1 9 . 1 1 66 66 PHE H H 66 8.956 8.956 8.384 0.572 19482
1278 1 9 . 1 1 67 67 VAL N N 67 125.787 125.787 122.788 2.999 19482
1279 1 9 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.267 0.734 19482
1280 1 9 . 1 1 67 67 VAL C C 67 172.630 172.630 175.662 -3.032 19482
1281 1 9 . 1 1 67 67 VAL CA C 67 59.022 59.022 60.691 -1.669 19482
1282 1 9 . 1 1 67 67 VAL CB C 67 35.886 35.886 33.087 2.799 19482
1283 1 9 . 1 1 67 67 VAL H H 67 8.954 8.954 8.192 0.762 19482
1284 1 9 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.200 1.450 19482
1285 1 9 . 1 1 68 68 ARG C C 68 176.368 176.368 175.814 0.554 19482
1286 1 9 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.587 -3.221 19482
1287 1 9 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.755 2.120 19482
1288 1 9 . 1 1 69 69 PHE N N 69 124.425 124.425 117.370 7.055 19482
1289 1 9 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.742 0.831 19482
1290 1 9 . 1 1 69 69 PHE C C 69 170.242 170.242 176.043 -5.801 19482
1291 1 9 . 1 1 69 69 PHE CA C 69 55.423 55.423 56.535 -1.112 19482
1292 1 9 . 1 1 69 69 PHE CB C 69 42.260 42.260 37.233 5.027 19482
1293 1 9 . 1 1 69 69 PHE H H 69 9.058 9.058 8.043 1.015 19482
1294 1 9 . 1 1 70 70 GLU N N 70 116.577 116.577 120.932 -4.355 19482
1295 1 9 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.041 1.880 19482
1296 1 9 . 1 1 70 70 GLU C C 70 174.811 174.811 176.132 -1.321 19482
1297 1 9 . 1 1 70 70 GLU CA C 70 52.932 52.932 58.256 -5.324 19482
1298 1 9 . 1 1 70 70 GLU CB C 70 36.143 36.143 29.501 6.642 19482
1299 1 9 . 1 1 70 70 GLU H H 70 8.572 8.572 7.578 0.994 19482
1300 1 9 . 1 1 71 71 VAL N N 71 121.977 121.977 118.832 3.145 19482
1301 1 9 . 1 1 71 71 VAL HA H 71 5.000 5.000 3.953 1.047 19482
1302 1 9 . 1 1 71 71 VAL C C 71 170.605 170.605 175.782 -5.177 19482
1303 1 9 . 1 1 71 71 VAL CA C 71 57.919 57.919 63.396 -5.477 19482
1304 1 9 . 1 1 71 71 VAL CB C 71 37.049 37.049 31.902 5.147 19482
1305 1 9 . 1 1 71 71 VAL H H 71 8.882 8.882 7.694 1.188 19482
1306 1 9 . 1 1 72 72 PRO HA H 72 4.914 4.914 3.879 1.035 19482
1307 1 9 . 1 1 72 72 PRO C C 72 179.275 179.275 177.732 1.543 19482
1308 1 9 . 1 1 72 72 PRO CA C 72 64.579 64.579 64.336 0.243 19482
1309 1 9 . 1 1 72 72 PRO CB C 72 31.924 31.924 31.236 0.688 19482
1310 1 9 . 1 1 73 73 SER N N 73 120.533 120.533 111.980 8.553 19482
1311 1 9 . 1 1 73 73 SER HA H 73 3.699 3.699 4.479 -0.780 19482
1312 1 9 . 1 1 73 73 SER C C 73 177.355 177.355 174.852 2.503 19482
1313 1 9 . 1 1 73 73 SER CA C 73 62.666 62.666 59.703 2.963 19482
1314 1 9 . 1 1 73 73 SER CB C 73 62.640 62.640 63.558 -0.918 19482
1315 1 9 . 1 1 73 73 SER H H 73 8.932 8.932 7.921 1.011 19482
1316 1 9 . 1 1 74 74 GLY N N 74 108.957 108.957 104.786 4.171 19482
1317 1 9 . 1 1 74 74 GLY C C 74 174.603 174.603 173.157 1.446 19482
1318 1 9 . 1 1 74 74 GLY CA C 74 46.308 46.308 42.598 3.710 19482
1319 1 9 . 1 1 74 74 GLY H H 74 9.046 9.046 8.070 0.976 19482
1320 1 9 . 1 1 75 75 ASP N N 75 118.276 118.276 117.787 0.489 19482
1321 1 9 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.672 0.346 19482
1322 1 9 . 1 1 75 75 ASP C C 75 175.486 175.486 173.679 1.807 19482
1323 1 9 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.230 2.510 19482
1324 1 9 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.033 -1.133 19482
1325 1 9 . 1 1 75 75 ASP H H 75 7.873 7.873 8.633 -0.760 19482
1326 1 9 . 1 1 76 76 LEU N N 76 120.899 120.899 119.886 1.013 19482
1327 1 9 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.931 -1.302 19482
1328 1 9 . 1 1 76 76 LEU C C 76 176.991 176.991 175.669 1.322 19482
1329 1 9 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.727 5.252 19482
1330 1 9 . 1 1 76 76 LEU CB C 76 41.622 41.622 45.026 -3.404 19482
1331 1 9 . 1 1 76 76 LEU H H 76 7.126 7.126 8.373 -1.247 19482
1332 1 9 . 1 1 77 77 ALA N N 77 119.926 119.926 127.537 -7.611 19482
1333 1 9 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.527 -0.794 19482
1334 1 9 . 1 1 77 77 ALA C C 77 180.158 180.158 176.818 3.340 19482
1335 1 9 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.342 4.492 19482
1336 1 9 . 1 1 77 77 ALA CB C 77 17.304 17.304 20.008 -2.704 19482
1337 1 9 . 1 1 77 77 ALA H H 77 8.680 8.680 8.860 -0.180 19482
1338 1 9 . 1 1 78 78 ALA N N 78 121.891 121.891 129.108 -7.217 19482
1339 1 9 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.074 -0.132 19482
1340 1 9 . 1 1 78 78 ALA C C 78 180.002 180.002 177.448 2.554 19482
1341 1 9 . 1 1 78 78 ALA CA C 78 54.741 54.741 52.869 1.872 19482
1342 1 9 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.654 -0.258 19482
1343 1 9 . 1 1 78 78 ALA H H 78 8.056 8.056 8.805 -0.749 19482
1344 1 9 . 1 1 79 79 LEU N N 79 123.051 123.051 116.124 6.927 19482
1345 1 9 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.013 -1.132 19482
1346 1 9 . 1 1 79 79 LEU C C 79 178.704 178.704 175.105 3.599 19482
1347 1 9 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.585 4.227 19482
1348 1 9 . 1 1 79 79 LEU H H 79 7.775 7.775 8.394 -0.619 19482
1349 1 9 . 1 1 80 80 LEU N N 80 120.108 120.108 118.245 1.863 19482
1350 1 9 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.508 -0.931 19482
1351 1 9 . 1 1 80 80 LEU C C 80 179.224 179.224 173.877 5.347 19482
1352 1 9 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.661 3.920 19482
1353 1 9 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.808 -3.663 19482
1354 1 9 . 1 1 80 80 LEU H H 80 8.546 8.546 7.210 1.336 19482
1355 1 9 . 1 1 81 81 SER N N 81 113.635 113.635 113.956 -0.321 19482
1356 1 9 . 1 1 81 81 SER HA H 81 4.041 4.041 5.240 -1.199 19482
1357 1 9 . 1 1 81 81 SER C C 81 176.939 176.939 172.735 4.204 19482
1358 1 9 . 1 1 81 81 SER CA C 81 62.029 62.029 56.593 5.436 19482
1359 1 9 . 1 1 81 81 SER CB C 81 62.708 62.708 65.897 -3.189 19482
1360 1 9 . 1 1 81 81 SER H H 81 8.117 8.117 9.035 -0.918 19482
1361 1 9 . 1 1 82 82 SER N N 82 117.004 117.004 121.499 -4.495 19482
1362 1 9 . 1 1 82 82 SER HA H 82 4.155 4.155 4.969 -0.814 19482
1363 1 9 . 1 1 82 82 SER C C 82 177.355 177.355 173.907 3.448 19482
1364 1 9 . 1 1 82 82 SER CA C 82 62.600 62.600 56.975 5.625 19482
1365 1 9 . 1 1 82 82 SER CB C 82 63.330 63.330 63.243 0.087 19482
1366 1 9 . 1 1 82 82 SER H H 82 7.704 7.704 8.074 -0.370 19482
1367 1 9 . 1 1 83 83 VAL N N 83 123.259 123.259 121.686 1.573 19482
1368 1 9 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.600 -1.214 19482
1369 1 9 . 1 1 83 83 VAL C C 83 178.601 178.601 173.241 5.360 19482
1370 1 9 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.267 5.226 19482
1371 1 9 . 1 1 83 83 VAL CB C 83 31.240 31.240 34.087 -2.848 19482
1372 1 9 . 1 1 83 83 VAL H H 83 8.666 8.666 8.589 0.077 19482
1373 1 9 . 1 1 84 84 ARG N N 84 119.832 119.832 117.235 2.597 19482
1374 1 9 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.129 -0.944 19482
1375 1 9 . 1 1 84 84 ARG C C 84 176.887 176.887 175.058 1.829 19482
1376 1 9 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.788 4.189 19482
1377 1 9 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.645 -3.733 19482
1378 1 9 . 1 1 84 84 ARG H H 84 8.075 8.075 8.171 -0.096 19482
1379 1 9 . 1 1 85 85 ARG N N 85 115.505 115.505 119.731 -4.226 19482
1380 1 9 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.718 -0.481 19482
1381 1 9 . 1 1 85 85 ARG C C 85 177.666 177.666 174.723 2.943 19482
1382 1 9 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.947 2.007 19482
1383 1 9 . 1 1 85 85 ARG CB C 85 30.830 30.830 33.191 -2.361 19482
1384 1 9 . 1 1 85 85 ARG H H 85 7.190 7.190 8.762 -1.572 19482
1385 1 9 . 1 1 86 86 VAL N N 86 111.155 111.155 122.166 -11.011 19482
1386 1 9 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.397 -0.945 19482
1387 1 9 . 1 1 86 86 VAL C C 86 174.188 174.188 175.138 -0.950 19482
1388 1 9 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.875 -0.258 19482
1389 1 9 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.621 -1.742 19482
1390 1 9 . 1 1 86 86 VAL H H 86 7.278 7.278 8.462 -1.184 19482
1391 1 9 . 1 1 87 87 SER N N 87 115.486 115.486 116.760 -1.274 19482
1392 1 9 . 1 1 87 87 SER HA H 87 4.827 4.827 4.828 -0.001 19482
1393 1 9 . 1 1 87 87 SER C C 87 172.474 172.474 172.195 0.279 19482
1394 1 9 . 1 1 87 87 SER CA C 87 57.870 57.870 58.856 -0.986 19482
1395 1 9 . 1 1 87 87 SER CB C 87 65.262 65.262 65.250 0.012 19482
1396 1 9 . 1 1 87 87 SER H H 87 7.636 7.636 8.355 -0.719 19482
1397 1 9 . 1 1 88 88 ASP N N 88 120.900 120.900 125.170 -4.270 19482
1398 1 9 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.298 0.668 19482
1399 1 9 . 1 1 88 88 ASP C C 88 175.399 175.399 174.651 0.748 19482
1400 1 9 . 1 1 88 88 ASP CA C 88 53.800 53.800 53.235 0.565 19482
1401 1 9 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.709 0.991 19482
1402 1 9 . 1 1 88 88 ASP H H 88 8.840 8.840 7.970 0.870 19482
1403 1 9 . 1 1 89 89 ASP N N 89 118.474 118.474 124.702 -6.228 19482
1404 1 9 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.961 -0.481 19482
1405 1 9 . 1 1 89 89 ASP C C 89 174.343 174.343 177.305 -2.962 19482
1406 1 9 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.100 2.239 19482
1407 1 9 . 1 1 89 89 ASP CB C 89 40.674 40.674 40.548 0.126 19482
1408 1 9 . 1 1 89 89 ASP H H 89 8.495 8.495 8.563 -0.068 19482
1409 1 9 . 1 1 90 90 VAL N N 90 119.779 119.779 120.998 -1.219 19482
1410 1 9 . 1 1 90 90 VAL HA H 90 4.725 4.725 3.919 0.806 19482
1411 1 9 . 1 1 90 90 VAL C C 90 176.680 176.680 176.117 0.563 19482
1412 1 9 . 1 1 90 90 VAL CA C 90 62.693 62.693 64.109 -1.416 19482
1413 1 9 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.083 0.217 19482
1414 1 9 . 1 1 90 90 VAL H H 90 7.997 7.997 8.388 -0.391 19482
1415 1 9 . 1 1 91 91 ARG N N 91 126.330 126.330 120.789 5.541 19482
1416 1 9 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.448 0.313 19482
1417 1 9 . 1 1 91 91 ARG C C 91 174.084 174.084 174.392 -0.308 19482
1418 1 9 . 1 1 91 91 ARG CA C 91 55.085 55.085 55.810 -0.725 19482
1419 1 9 . 1 1 91 91 ARG H H 91 9.183 9.183 8.363 0.820 19482
1420 1 9 . 1 1 92 92 SER N N 92 115.701 115.701 115.062 0.639 19482
1421 1 9 . 1 1 92 92 SER HA H 92 4.995 4.995 4.766 0.229 19482
1422 1 9 . 1 1 92 92 SER C C 92 173.616 173.616 174.551 -0.935 19482
1423 1 9 . 1 1 92 92 SER CA C 92 59.519 59.519 56.469 3.050 19482
1424 1 9 . 1 1 92 92 SER CB C 92 64.634 64.634 64.564 0.071 19482
1425 1 9 . 1 1 92 92 SER H H 92 8.740 8.740 7.530 1.210 19482
1426 1 9 . 1 1 93 93 ALA N N 93 130.939 130.939 122.525 8.414 19482
1427 1 9 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.146 0.173 19482
1428 1 9 . 1 1 93 93 ALA C C 93 181.664 181.664 176.385 5.279 19482
1429 1 9 . 1 1 93 93 ALA CA C 93 53.234 53.234 55.148 -1.914 19482
1430 1 9 . 1 1 93 93 ALA CB C 93 21.573 21.573 17.578 3.995 19482
1431 1 9 . 1 1 93 93 ALA H H 93 7.820 7.820 8.210 -0.390 19482
1432 1 10 . 1 1 66 66 PHE N N 66 122.582 122.582 121.063 1.519 19482
1433 1 10 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.477 0.940 19482
1434 1 10 . 1 1 66 66 PHE C C 66 174.032 174.032 174.301 -0.269 19482
1435 1 10 . 1 1 66 66 PHE CA C 66 55.716 55.716 57.458 -1.742 19482
1436 1 10 . 1 1 66 66 PHE H H 66 8.956 8.956 7.954 1.002 19482
1437 1 10 . 1 1 67 67 VAL N N 67 125.787 125.787 118.005 7.782 19482
1438 1 10 . 1 1 67 67 VAL HA H 67 5.001 5.001 3.955 1.046 19482
1439 1 10 . 1 1 67 67 VAL C C 67 172.630 172.630 175.652 -3.022 19482
1440 1 10 . 1 1 67 67 VAL CA C 67 59.022 59.022 62.380 -3.358 19482
1441 1 10 . 1 1 67 67 VAL CB C 67 35.886 35.886 31.564 4.322 19482
1442 1 10 . 1 1 67 67 VAL H H 67 8.954 8.954 8.153 0.801 19482
1443 1 10 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.261 1.389 19482
1444 1 10 . 1 1 68 68 ARG C C 68 176.368 176.368 175.997 0.371 19482
1445 1 10 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.639 -3.272 19482
1446 1 10 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.614 2.261 19482
1447 1 10 . 1 1 69 69 PHE N N 69 124.425 124.425 115.448 8.977 19482
1448 1 10 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.721 0.852 19482
1449 1 10 . 1 1 69 69 PHE C C 69 170.242 170.242 176.310 -6.068 19482
1450 1 10 . 1 1 69 69 PHE CA C 69 55.423 55.423 56.977 -1.554 19482
1451 1 10 . 1 1 69 69 PHE CB C 69 42.260 42.260 37.859 4.401 19482
1452 1 10 . 1 1 69 69 PHE H H 69 9.058 9.058 8.061 0.997 19482
1453 1 10 . 1 1 70 70 GLU N N 70 116.577 116.577 120.197 -3.620 19482
1454 1 10 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.210 1.711 19482
1455 1 10 . 1 1 70 70 GLU C C 70 174.811 174.811 176.833 -2.022 19482
1456 1 10 . 1 1 70 70 GLU CA C 70 52.932 52.932 56.598 -3.666 19482
1457 1 10 . 1 1 70 70 GLU CB C 70 36.143 36.143 30.809 5.334 19482
1458 1 10 . 1 1 70 70 GLU H H 70 8.572 8.572 7.403 1.169 19482
1459 1 10 . 1 1 71 71 VAL N N 71 121.977 121.977 118.858 3.119 19482
1460 1 10 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.028 0.972 19482
1461 1 10 . 1 1 71 71 VAL C C 71 170.605 170.605 176.810 -6.205 19482
1462 1 10 . 1 1 71 71 VAL CA C 71 57.919 57.919 64.269 -6.350 19482
1463 1 10 . 1 1 71 71 VAL CB C 71 37.049 37.049 31.906 5.143 19482
1464 1 10 . 1 1 71 71 VAL H H 71 8.882 8.882 8.594 0.288 19482
1465 1 10 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.301 0.613 19482
1466 1 10 . 1 1 72 72 PRO C C 72 179.275 179.275 176.299 2.976 19482
1467 1 10 . 1 1 72 72 PRO CA C 72 64.579 64.579 63.984 0.595 19482
1468 1 10 . 1 1 72 72 PRO CB C 72 31.924 31.924 28.892 3.032 19482
1469 1 10 . 1 1 73 73 SER N N 73 120.533 120.533 114.381 6.152 19482
1470 1 10 . 1 1 73 73 SER HA H 73 3.699 3.699 5.132 -1.433 19482
1471 1 10 . 1 1 73 73 SER C C 73 177.355 177.355 172.080 5.275 19482
1472 1 10 . 1 1 73 73 SER CA C 73 62.666 62.666 56.664 6.002 19482
1473 1 10 . 1 1 73 73 SER CB C 73 62.640 62.640 65.948 -3.308 19482
1474 1 10 . 1 1 73 73 SER H H 73 8.932 8.932 8.168 0.764 19482
1475 1 10 . 1 1 74 74 GLY N N 74 108.957 108.957 104.011 4.946 19482
1476 1 10 . 1 1 74 74 GLY C C 74 174.603 174.603 172.331 2.272 19482
1477 1 10 . 1 1 74 74 GLY CA C 74 46.308 46.308 43.992 2.316 19482
1478 1 10 . 1 1 74 74 GLY H H 74 9.046 9.046 8.102 0.944 19482
1479 1 10 . 1 1 75 75 ASP N N 75 118.276 118.276 119.206 -0.930 19482
1480 1 10 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.571 0.447 19482
1481 1 10 . 1 1 75 75 ASP C C 75 175.486 175.486 173.564 1.922 19482
1482 1 10 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.028 2.713 19482
1483 1 10 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.286 -1.386 19482
1484 1 10 . 1 1 75 75 ASP H H 75 7.873 7.873 8.674 -0.801 19482
1485 1 10 . 1 1 76 76 LEU N N 76 120.899 120.899 120.337 0.562 19482
1486 1 10 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.999 -1.370 19482
1487 1 10 . 1 1 76 76 LEU C C 76 176.991 176.991 175.593 1.398 19482
1488 1 10 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.630 5.349 19482
1489 1 10 . 1 1 76 76 LEU CB C 76 41.622 41.622 44.770 -3.148 19482
1490 1 10 . 1 1 76 76 LEU H H 76 7.126 7.126 8.341 -1.215 19482
1491 1 10 . 1 1 77 77 ALA N N 77 119.926 119.926 127.019 -7.093 19482
1492 1 10 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.558 -0.825 19482
1493 1 10 . 1 1 77 77 ALA C C 77 180.158 180.158 176.959 3.199 19482
1494 1 10 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.209 4.625 19482
1495 1 10 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.280 -3.976 19482
1496 1 10 . 1 1 77 77 ALA H H 77 8.680 8.680 8.804 -0.124 19482
1497 1 10 . 1 1 78 78 ALA N N 78 121.891 121.891 128.600 -6.709 19482
1498 1 10 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.038 -0.096 19482
1499 1 10 . 1 1 78 78 ALA C C 78 180.002 180.002 177.413 2.589 19482
1500 1 10 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.045 1.696 19482
1501 1 10 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.661 -0.264 19482
1502 1 10 . 1 1 78 78 ALA H H 78 8.056 8.056 8.863 -0.807 19482
1503 1 10 . 1 1 79 79 LEU N N 79 123.051 123.051 115.455 7.596 19482
1504 1 10 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.002 -1.121 19482
1505 1 10 . 1 1 79 79 LEU C C 79 178.704 178.704 175.079 3.625 19482
1506 1 10 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.599 4.213 19482
1507 1 10 . 1 1 79 79 LEU H H 79 7.775 7.775 8.266 -0.491 19482
1508 1 10 . 1 1 80 80 LEU N N 80 120.108 120.108 119.079 1.029 19482
1509 1 10 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.502 -0.925 19482
1510 1 10 . 1 1 80 80 LEU C C 80 179.224 179.224 173.847 5.377 19482
1511 1 10 . 1 1 80 80 LEU CA C 80 57.581 57.581 54.245 3.336 19482
1512 1 10 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.407 -3.262 19482
1513 1 10 . 1 1 80 80 LEU H H 80 8.546 8.546 7.566 0.980 19482
1514 1 10 . 1 1 81 81 SER N N 81 113.635 113.635 114.030 -0.395 19482
1515 1 10 . 1 1 81 81 SER HA H 81 4.041 4.041 5.347 -1.306 19482
1516 1 10 . 1 1 81 81 SER C C 81 176.939 176.939 172.861 4.078 19482
1517 1 10 . 1 1 81 81 SER CA C 81 62.029 62.029 56.486 5.543 19482
1518 1 10 . 1 1 81 81 SER CB C 81 62.708 62.708 65.768 -3.060 19482
1519 1 10 . 1 1 81 81 SER H H 81 8.117 8.117 9.004 -0.887 19482
1520 1 10 . 1 1 82 82 SER N N 82 117.004 117.004 121.508 -4.504 19482
1521 1 10 . 1 1 82 82 SER HA H 82 4.155 4.155 5.148 -0.993 19482
1522 1 10 . 1 1 82 82 SER C C 82 177.355 177.355 173.931 3.424 19482
1523 1 10 . 1 1 82 82 SER CA C 82 62.600 62.600 56.923 5.676 19482
1524 1 10 . 1 1 82 82 SER CB C 82 63.330 63.330 63.632 -0.302 19482
1525 1 10 . 1 1 82 82 SER H H 82 7.704 7.704 8.309 -0.605 19482
1526 1 10 . 1 1 83 83 VAL N N 83 123.259 123.259 121.147 2.112 19482
1527 1 10 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.620 -1.234 19482
1528 1 10 . 1 1 83 83 VAL C C 83 178.601 178.601 173.292 5.309 19482
1529 1 10 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.261 5.231 19482
1530 1 10 . 1 1 83 83 VAL CB C 83 31.240 31.240 34.071 -2.831 19482
1531 1 10 . 1 1 83 83 VAL H H 83 8.666 8.666 8.466 0.200 19482
1532 1 10 . 1 1 84 84 ARG N N 84 119.832 119.832 117.215 2.617 19482
1533 1 10 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.324 -1.139 19482
1534 1 10 . 1 1 84 84 ARG C C 84 176.887 176.887 175.007 1.880 19482
1535 1 10 . 1 1 84 84 ARG CA C 84 58.977 58.977 55.286 3.691 19482
1536 1 10 . 1 1 84 84 ARG CB C 84 29.912 29.912 34.362 -4.450 19482
1537 1 10 . 1 1 84 84 ARG H H 84 8.075 8.075 8.301 -0.226 19482
1538 1 10 . 1 1 85 85 ARG N N 85 115.505 115.505 120.480 -4.975 19482
1539 1 10 . 1 1 85 85 ARG HA H 85 4.237 4.237 5.161 -0.924 19482
1540 1 10 . 1 1 85 85 ARG C C 85 177.666 177.666 175.010 2.656 19482
1541 1 10 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.773 2.181 19482
1542 1 10 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.988 -2.158 19482
1543 1 10 . 1 1 85 85 ARG H H 85 7.190 7.190 8.986 -1.796 19482
1544 1 10 . 1 1 86 86 VAL N N 86 111.155 111.155 121.195 -10.040 19482
1545 1 10 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.342 -0.890 19482
1546 1 10 . 1 1 86 86 VAL C C 86 174.188 174.188 174.644 -0.456 19482
1547 1 10 . 1 1 86 86 VAL CA C 86 60.617 60.617 61.093 -0.476 19482
1548 1 10 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.675 -1.795 19482
1549 1 10 . 1 1 86 86 VAL H H 86 7.278 7.278 8.894 -1.616 19482
1550 1 10 . 1 1 87 87 SER N N 87 115.486 115.486 116.878 -1.392 19482
1551 1 10 . 1 1 87 87 SER HA H 87 4.827 4.827 4.541 0.286 19482
1552 1 10 . 1 1 87 87 SER C C 87 172.474 172.474 171.974 0.500 19482
1553 1 10 . 1 1 87 87 SER CA C 87 57.870 57.870 58.216 -0.346 19482
1554 1 10 . 1 1 87 87 SER CB C 87 65.262 65.262 66.775 -1.513 19482
1555 1 10 . 1 1 87 87 SER H H 87 7.636 7.636 7.991 -0.355 19482
1556 1 10 . 1 1 88 88 ASP N N 88 120.900 120.900 125.165 -4.265 19482
1557 1 10 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.261 0.705 19482
1558 1 10 . 1 1 88 88 ASP C C 88 175.399 175.399 173.815 1.584 19482
1559 1 10 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.608 1.192 19482
1560 1 10 . 1 1 88 88 ASP CB C 88 43.700 43.700 43.215 0.485 19482
1561 1 10 . 1 1 88 88 ASP H H 88 8.840 8.840 8.152 0.688 19482
1562 1 10 . 1 1 89 89 ASP N N 89 118.474 118.474 123.424 -4.950 19482
1563 1 10 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.630 -0.150 19482
1564 1 10 . 1 1 89 89 ASP C C 89 174.343 174.343 176.141 -1.798 19482
1565 1 10 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.644 1.695 19482
1566 1 10 . 1 1 89 89 ASP CB C 89 40.674 40.674 40.425 0.249 19482
1567 1 10 . 1 1 89 89 ASP H H 89 8.495 8.495 8.546 -0.051 19482
1568 1 10 . 1 1 90 90 VAL N N 90 119.779 119.779 119.524 0.255 19482
1569 1 10 . 1 1 90 90 VAL HA H 90 4.725 4.725 3.906 0.819 19482
1570 1 10 . 1 1 90 90 VAL C C 90 176.680 176.680 176.342 0.338 19482
1571 1 10 . 1 1 90 90 VAL CA C 90 62.693 62.693 63.263 -0.570 19482
1572 1 10 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.187 0.113 19482
1573 1 10 . 1 1 90 90 VAL H H 90 7.997 7.997 8.135 -0.138 19482
1574 1 10 . 1 1 91 91 ARG N N 91 126.330 126.330 121.271 5.059 19482
1575 1 10 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.021 0.740 19482
1576 1 10 . 1 1 91 91 ARG C C 91 174.084 174.084 175.223 -1.139 19482
1577 1 10 . 1 1 91 91 ARG CA C 91 55.085 55.085 55.987 -0.902 19482
1578 1 10 . 1 1 91 91 ARG H H 91 9.183 9.183 8.745 0.438 19482
1579 1 10 . 1 1 92 92 SER N N 92 115.701 115.701 112.061 3.640 19482
1580 1 10 . 1 1 92 92 SER HA H 92 4.995 4.995 4.118 0.877 19482
1581 1 10 . 1 1 92 92 SER C C 92 173.616 173.616 173.869 -0.253 19482
1582 1 10 . 1 1 92 92 SER CA C 92 59.519 59.519 59.039 0.480 19482
1583 1 10 . 1 1 92 92 SER CB C 92 64.634 64.634 63.427 1.207 19482
1584 1 10 . 1 1 92 92 SER H H 92 8.740 8.740 7.581 1.159 19482
1585 1 10 . 1 1 93 93 ALA N N 93 130.939 130.939 123.195 7.744 19482
1586 1 10 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.442 -0.123 19482
1587 1 10 . 1 1 93 93 ALA C C 93 181.664 181.664 175.983 5.681 19482
1588 1 10 . 1 1 93 93 ALA CA C 93 53.234 53.234 50.385 2.849 19482
1589 1 10 . 1 1 93 93 ALA CB C 93 21.573 21.573 18.301 3.272 19482
1590 1 10 . 1 1 93 93 ALA H H 93 7.820 7.820 8.204 -0.384 19482
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 26 4.658 -0.333 4.738 19482
2 1 1 "Average Difference" HA 29 0.872 0.143 0.875 19482
3 1 1 "Average Difference" C 28 3.138 -1.133 2.980 19482
4 1 1 "Average Difference" CA 28 3.387 -1.389 3.146 19482
5 1 1 "Average Difference" CB 24 2.972 0.367 3.012 19482
6 1 1 "Average Difference" HN 26 0.832 0.014 0.848 19482
7 1 2 "Average Difference" N 26 4.627 0.036 4.718 19482
8 1 2 "Average Difference" HA 29 0.838 0.132 0.842 19482
9 1 2 "Average Difference" C 28 3.251 -1.322 3.024 19482
10 1 2 "Average Difference" CA 28 3.379 -1.508 3.079 19482
11 1 2 "Average Difference" CB 24 2.670 0.254 2.715 19482
12 1 2 "Average Difference" HN 26 0.854 -0.032 0.870 19482
13 1 3 "Average Difference" N 26 4.712 -0.694 4.753 19482
14 1 3 "Average Difference" HA 29 0.916 0.197 0.910 19482
15 1 3 "Average Difference" C 28 3.030 -1.314 2.780 19482
16 1 3 "Average Difference" CA 28 3.475 -1.572 3.156 19482
17 1 3 "Average Difference" CB 24 2.866 0.401 2.899 19482
18 1 3 "Average Difference" HN 26 0.818 0.064 0.832 19482
19 1 4 "Average Difference" N 26 4.723 -0.207 4.812 19482
20 1 4 "Average Difference" HA 29 0.908 0.179 0.905 19482
21 1 4 "Average Difference" C 28 3.231 -1.334 2.997 19482
22 1 4 "Average Difference" CA 28 3.372 -1.505 3.073 19482
23 1 4 "Average Difference" CB 24 2.671 0.330 2.708 19482
24 1 4 "Average Difference" HN 26 0.801 -0.001 0.817 19482
25 1 5 "Average Difference" N 26 5.028 -0.029 5.128 19482
26 1 5 "Average Difference" HA 29 0.910 0.115 0.918 19482
27 1 5 "Average Difference" C 28 3.078 -1.297 2.843 19482
28 1 5 "Average Difference" CA 28 3.389 -1.421 3.133 19482
29 1 5 "Average Difference" CB 24 3.039 0.182 3.098 19482
30 1 5 "Average Difference" HN 26 0.766 0.082 0.777 19482
31 1 6 "Average Difference" N 26 5.014 0.076 5.113 19482
32 1 6 "Average Difference" HA 29 0.860 0.134 0.865 19482
33 1 6 "Average Difference" C 28 3.093 -1.296 2.860 19482
34 1 6 "Average Difference" CA 28 3.319 -1.297 3.111 19482
35 1 6 "Average Difference" CB 24 2.610 0.186 2.660 19482
36 1 6 "Average Difference" HN 26 0.890 0.014 0.907 19482
37 1 7 "Average Difference" N 26 5.021 -0.302 5.112 19482
38 1 7 "Average Difference" HA 29 0.846 0.136 0.850 19482
39 1 7 "Average Difference" C 28 3.127 -1.280 2.905 19482
40 1 7 "Average Difference" CA 28 3.394 -1.310 3.188 19482
41 1 7 "Average Difference" CB 24 2.814 0.300 2.858 19482
42 1 7 "Average Difference" HN 26 0.918 0.079 0.932 19482
43 1 8 "Average Difference" N 26 4.321 -0.217 4.401 19482
44 1 8 "Average Difference" HA 29 0.894 0.120 0.902 19482
45 1 8 "Average Difference" C 28 3.037 -1.356 2.768 19482
46 1 8 "Average Difference" CA 28 3.498 -1.442 3.246 19482
47 1 8 "Average Difference" CB 24 2.797 0.344 2.836 19482
48 1 8 "Average Difference" HN 26 0.863 -0.005 0.880 19482
49 1 9 "Average Difference" N 26 5.085 -0.071 5.186 19482
50 1 9 "Average Difference" HA 29 0.898 0.055 0.912 19482
51 1 9 "Average Difference" C 28 3.037 -0.959 2.934 19482
52 1 9 "Average Difference" CA 28 3.402 -1.178 3.250 19482
53 1 9 "Average Difference" CB 24 2.894 -0.082 2.955 19482
54 1 9 "Average Difference" HN 26 0.873 -0.060 0.888 19482
55 1 10 "Average Difference" N 26 5.132 -0.548 5.203 19482
56 1 10 "Average Difference" HA 29 0.953 0.081 0.966 19482
57 1 10 "Average Difference" C 28 3.286 -1.186 3.120 19482
58 1 10 "Average Difference" CA 28 3.458 -1.327 3.252 19482
59 1 10 "Average Difference" CB 24 3.003 0.068 3.067 19482
60 1 10 "Average Difference" HN 26 0.853 0.003 0.870 19482
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 19482
_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 66 66 PHE N N 66 122.582 122.582 121.425 1.157 19482
2 1 . 1 1 66 66 PHE HA H 66 5.417 5.417 4.502 0.915 19482
3 1 . 1 1 66 66 PHE C C 66 174.032 174.032 174.507 -0.475 19482
4 1 . 1 1 66 66 PHE CA C 66 55.716 55.716 58.017 -2.301 19482
5 1 . 1 1 66 66 PHE H H 66 8.956 8.956 8.282 0.674 19482
6 1 . 1 1 67 67 VAL N N 67 125.787 125.787 121.407 4.380 19482
7 1 . 1 1 67 67 VAL HA H 67 5.001 5.001 4.301 0.699 19482
8 1 . 1 1 67 67 VAL C C 67 172.630 172.630 175.175 -2.545 19482
9 1 . 1 1 67 67 VAL CA C 67 59.022 59.022 61.103 -2.081 19482
10 1 . 1 1 67 67 VAL CB C 67 35.886 35.886 32.465 3.421 19482
11 1 . 1 1 67 67 VAL H H 67 8.954 8.954 8.161 0.793 19482
12 1 . 1 1 68 68 ARG HA H 68 5.650 5.650 4.290 1.360 19482
13 1 . 1 1 68 68 ARG C C 68 176.368 176.368 176.043 0.325 19482
14 1 . 1 1 68 68 ARG CA C 68 54.366 54.366 57.552 -3.186 19482
15 1 . 1 1 68 68 ARG CB C 68 32.875 32.875 30.713 2.162 19482
16 1 . 1 1 69 69 PHE N N 69 124.425 124.425 117.134 7.291 19482
17 1 . 1 1 69 69 PHE HA H 69 5.573 5.573 4.736 0.837 19482
18 1 . 1 1 69 69 PHE C C 69 170.242 170.242 176.029 -5.787 19482
19 1 . 1 1 69 69 PHE CA C 69 55.423 55.423 57.414 -1.991 19482
20 1 . 1 1 69 69 PHE CB C 69 42.260 42.260 38.026 4.234 19482
21 1 . 1 1 69 69 PHE H H 69 9.058 9.058 7.927 1.131 19482
22 1 . 1 1 70 70 GLU N N 70 116.577 116.577 119.325 -2.748 19482
23 1 . 1 1 70 70 GLU HA H 70 5.921 5.921 4.149 1.772 19482
24 1 . 1 1 70 70 GLU C C 70 174.811 174.811 176.008 -1.197 19482
25 1 . 1 1 70 70 GLU CA C 70 52.932 52.932 57.034 -4.102 19482
26 1 . 1 1 70 70 GLU CB C 70 36.143 36.143 30.724 5.419 19482
27 1 . 1 1 70 70 GLU H H 70 8.572 8.572 7.653 0.919 19482
28 1 . 1 1 71 71 VAL N N 71 121.977 121.977 120.238 1.739 19482
29 1 . 1 1 71 71 VAL HA H 71 5.000 5.000 4.212 0.788 19482
30 1 . 1 1 71 71 VAL C C 71 170.605 170.605 174.939 -4.334 19482
31 1 . 1 1 71 71 VAL CA C 71 57.919 57.919 63.143 -5.224 19482
32 1 . 1 1 71 71 VAL CB C 71 37.049 37.049 32.956 4.093 19482
33 1 . 1 1 71 71 VAL H H 71 8.882 8.882 8.412 0.470 19482
34 1 . 1 1 72 72 PRO HA H 72 4.914 4.914 4.524 0.390 19482
35 1 . 1 1 72 72 PRO C C 72 179.275 179.275 176.430 2.845 19482
36 1 . 1 1 72 72 PRO CA C 72 64.579 64.579 62.969 1.610 19482
37 1 . 1 1 72 72 PRO CB C 72 31.924 31.924 31.496 0.428 19482
38 1 . 1 1 73 73 SER N N 73 120.533 120.533 115.733 4.800 19482
39 1 . 1 1 73 73 SER HA H 73 3.699 3.699 4.902 -1.202 19482
40 1 . 1 1 73 73 SER C C 73 177.355 177.355 172.719 4.636 19482
41 1 . 1 1 73 73 SER CA C 73 62.666 62.666 57.073 5.593 19482
42 1 . 1 1 73 73 SER CB C 73 62.640 62.640 65.607 -2.968 19482
43 1 . 1 1 73 73 SER H H 73 8.932 8.932 7.956 0.976 19482
44 1 . 1 1 74 74 GLY N N 74 108.957 108.957 105.150 3.807 19482
45 1 . 1 1 74 74 GLY C C 74 174.603 174.603 172.566 2.037 19482
46 1 . 1 1 74 74 GLY CA C 74 46.308 46.308 43.885 2.423 19482
47 1 . 1 1 74 74 GLY H H 74 9.046 9.046 8.027 1.019 19482
48 1 . 1 1 75 75 ASP N N 75 118.276 118.276 119.816 -1.540 19482
49 1 . 1 1 75 75 ASP HA H 75 5.018 5.018 4.640 0.378 19482
50 1 . 1 1 75 75 ASP C C 75 175.486 175.486 173.869 1.617 19482
51 1 . 1 1 75 75 ASP CA C 75 54.741 54.741 52.308 2.433 19482
52 1 . 1 1 75 75 ASP CB C 75 42.900 42.900 44.015 -1.115 19482
53 1 . 1 1 75 75 ASP H H 75 7.873 7.873 8.400 -0.527 19482
54 1 . 1 1 76 76 LEU N N 76 120.899 120.899 121.466 -0.567 19482
55 1 . 1 1 76 76 LEU HA H 76 3.629 3.629 4.843 -1.214 19482
56 1 . 1 1 76 76 LEU C C 76 176.991 176.991 175.772 1.219 19482
57 1 . 1 1 76 76 LEU CA C 76 58.979 58.979 53.984 4.995 19482
58 1 . 1 1 76 76 LEU CB C 76 41.622 41.622 44.653 -3.031 19482
59 1 . 1 1 76 76 LEU H H 76 7.126 7.126 8.377 -1.251 19482
60 1 . 1 1 77 77 ALA N N 77 119.926 119.926 125.743 -5.817 19482
61 1 . 1 1 77 77 ALA HA H 77 3.733 3.733 4.557 -0.824 19482
62 1 . 1 1 77 77 ALA C C 77 180.158 180.158 176.760 3.398 19482
63 1 . 1 1 77 77 ALA CA C 77 55.834 55.834 51.417 4.417 19482
64 1 . 1 1 77 77 ALA CB C 77 17.304 17.304 21.045 -3.741 19482
65 1 . 1 1 77 77 ALA H H 77 8.680 8.680 8.892 -0.212 19482
66 1 . 1 1 78 78 ALA N N 78 121.891 121.891 128.692 -6.801 19482
67 1 . 1 1 78 78 ALA HA H 78 3.942 3.942 4.043 -0.101 19482
68 1 . 1 1 78 78 ALA C C 78 180.002 180.002 177.377 2.625 19482
69 1 . 1 1 78 78 ALA CA C 78 54.741 54.741 53.163 1.578 19482
70 1 . 1 1 78 78 ALA CB C 78 18.397 18.397 18.517 -0.120 19482
71 1 . 1 1 78 78 ALA H H 78 8.056 8.056 8.903 -0.847 19482
72 1 . 1 1 79 79 LEU N N 79 123.051 123.051 115.793 7.258 19482
73 1 . 1 1 79 79 LEU HA H 79 2.881 2.881 4.016 -1.135 19482
74 1 . 1 1 79 79 LEU C C 79 178.704 178.704 175.115 3.589 19482
75 1 . 1 1 79 79 LEU CA C 79 58.812 58.812 54.542 4.270 19482
76 1 . 1 1 79 79 LEU H H 79 7.775 7.775 8.366 -0.590 19482
77 1 . 1 1 80 80 LEU N N 80 120.108 120.108 118.828 1.280 19482
78 1 . 1 1 80 80 LEU HA H 80 3.577 3.577 4.500 -0.923 19482
79 1 . 1 1 80 80 LEU C C 80 179.224 179.224 173.931 5.293 19482
80 1 . 1 1 80 80 LEU CA C 80 57.581 57.581 53.914 3.667 19482
81 1 . 1 1 80 80 LEU CB C 80 41.145 41.145 44.777 -3.632 19482
82 1 . 1 1 80 80 LEU H H 80 8.546 8.546 7.665 0.881 19482
83 1 . 1 1 81 81 SER N N 81 113.635 113.635 114.485 -0.850 19482
84 1 . 1 1 81 81 SER HA H 81 4.041 4.041 5.179 -1.138 19482
85 1 . 1 1 81 81 SER C C 81 176.939 176.939 172.726 4.213 19482
86 1 . 1 1 81 81 SER CA C 81 62.029 62.029 56.649 5.380 19482
87 1 . 1 1 81 81 SER CB C 81 62.708 62.708 65.556 -2.848 19482
88 1 . 1 1 81 81 SER H H 81 8.117 8.117 9.076 -0.959 19482
89 1 . 1 1 82 82 SER N N 82 117.004 117.004 121.488 -4.484 19482
90 1 . 1 1 82 82 SER HA H 82 4.155 4.155 5.108 -0.953 19482
91 1 . 1 1 82 82 SER C C 82 177.355 177.355 173.878 3.477 19482
92 1 . 1 1 82 82 SER CA C 82 62.600 62.600 56.933 5.667 19482
93 1 . 1 1 82 82 SER CB C 82 63.330 63.330 63.347 -0.017 19482
94 1 . 1 1 82 82 SER H H 82 7.704 7.704 8.336 -0.632 19482
95 1 . 1 1 83 83 VAL N N 83 123.259 123.259 121.019 2.240 19482
96 1 . 1 1 83 83 VAL HA H 83 3.386 3.386 4.620 -1.234 19482
97 1 . 1 1 83 83 VAL C C 83 178.601 178.601 173.344 5.257 19482
98 1 . 1 1 83 83 VAL CA C 83 66.492 66.492 61.029 5.463 19482
99 1 . 1 1 83 83 VAL CB C 83 31.240 31.240 34.101 -2.861 19482
100 1 . 1 1 83 83 VAL H H 83 8.666 8.666 8.487 0.179 19482
101 1 . 1 1 84 84 ARG N N 84 119.832 119.832 117.661 2.171 19482
102 1 . 1 1 84 84 ARG HA H 84 4.185 4.185 5.306 -1.121 19482
103 1 . 1 1 84 84 ARG C C 84 176.887 176.887 175.061 1.826 19482
104 1 . 1 1 84 84 ARG CA C 84 58.977 58.977 54.984 3.993 19482
105 1 . 1 1 84 84 ARG CB C 84 29.912 29.912 33.899 -3.987 19482
106 1 . 1 1 84 84 ARG H H 84 8.075 8.075 8.316 -0.241 19482
107 1 . 1 1 85 85 ARG N N 85 115.505 115.505 120.426 -4.921 19482
108 1 . 1 1 85 85 ARG HA H 85 4.237 4.237 4.948 -0.711 19482
109 1 . 1 1 85 85 ARG C C 85 177.666 177.666 174.909 2.757 19482
110 1 . 1 1 85 85 ARG CA C 85 57.954 57.954 55.788 2.166 19482
111 1 . 1 1 85 85 ARG CB C 85 30.830 30.830 32.763 -1.933 19482
112 1 . 1 1 85 85 ARG H H 85 7.190 7.190 8.665 -1.475 19482
113 1 . 1 1 86 86 VAL N N 86 111.155 111.155 121.723 -10.568 19482
114 1 . 1 1 86 86 VAL HA H 86 4.452 4.452 5.381 -0.929 19482
115 1 . 1 1 86 86 VAL C C 86 174.188 174.188 174.917 -0.729 19482
116 1 . 1 1 86 86 VAL CA C 86 60.617 60.617 60.963 -0.346 19482
117 1 . 1 1 86 86 VAL CB C 86 32.880 32.880 34.761 -1.881 19482
118 1 . 1 1 86 86 VAL H H 86 7.278 7.278 8.721 -1.443 19482
119 1 . 1 1 87 87 SER N N 87 115.486 115.486 116.463 -0.977 19482
120 1 . 1 1 87 87 SER HA H 87 4.827 4.827 4.755 0.072 19482
121 1 . 1 1 87 87 SER C C 87 172.474 172.474 171.981 0.493 19482
122 1 . 1 1 87 87 SER CA C 87 57.870 57.870 57.804 0.066 19482
123 1 . 1 1 87 87 SER CB C 87 65.262 65.262 66.424 -1.161 19482
124 1 . 1 1 87 87 SER H H 87 7.636 7.636 8.317 -0.681 19482
125 1 . 1 1 88 88 ASP N N 88 120.900 120.900 124.940 -4.040 19482
126 1 . 1 1 88 88 ASP HA H 88 4.966 4.966 4.546 0.420 19482
127 1 . 1 1 88 88 ASP C C 88 175.399 175.399 174.111 1.288 19482
128 1 . 1 1 88 88 ASP CA C 88 53.800 53.800 52.697 1.103 19482
129 1 . 1 1 88 88 ASP CB C 88 43.700 43.700 42.867 0.833 19482
130 1 . 1 1 88 88 ASP H H 88 8.840 8.840 8.429 0.411 19482
131 1 . 1 1 89 89 ASP N N 89 118.474 118.474 120.766 -2.292 19482
132 1 . 1 1 89 89 ASP HA H 89 4.480 4.480 4.945 -0.465 19482
133 1 . 1 1 89 89 ASP C C 89 174.343 174.343 175.912 -1.569 19482
134 1 . 1 1 89 89 ASP CA C 89 54.339 54.339 52.586 1.753 19482
135 1 . 1 1 89 89 ASP CB C 89 40.674 40.674 41.673 -0.999 19482
136 1 . 1 1 89 89 ASP H H 89 8.495 8.495 8.417 0.078 19482
137 1 . 1 1 90 90 VAL N N 90 119.779 119.779 120.325 -0.546 19482
138 1 . 1 1 90 90 VAL HA H 90 4.725 4.725 4.061 0.664 19482
139 1 . 1 1 90 90 VAL C C 90 176.680 176.680 176.161 0.519 19482
140 1 . 1 1 90 90 VAL CA C 90 62.693 62.693 62.788 -0.095 19482
141 1 . 1 1 90 90 VAL CB C 90 32.300 32.300 32.249 0.051 19482
142 1 . 1 1 90 90 VAL H H 90 7.997 7.997 8.364 -0.367 19482
143 1 . 1 1 91 91 ARG N N 91 126.330 126.330 121.082 5.248 19482
144 1 . 1 1 91 91 ARG HA H 91 4.761 4.761 4.193 0.568 19482
145 1 . 1 1 91 91 ARG C C 91 174.084 174.084 175.434 -1.349 19482
146 1 . 1 1 91 91 ARG CA C 91 55.085 55.085 56.018 -0.933 19482
147 1 . 1 1 91 91 ARG H H 91 9.183 9.183 8.342 0.840 19482
148 1 . 1 1 92 92 SER N N 92 115.701 115.701 112.699 3.002 19482
149 1 . 1 1 92 92 SER HA H 92 4.995 4.995 4.384 0.611 19482
150 1 . 1 1 92 92 SER C C 92 173.616 173.616 174.071 -0.455 19482
151 1 . 1 1 92 92 SER CA C 92 59.519 59.519 58.572 0.947 19482
152 1 . 1 1 92 92 SER CB C 92 64.634 64.634 63.395 1.239 19482
153 1 . 1 1 92 92 SER H H 92 8.740 8.740 8.020 0.720 19482
154 1 . 1 1 93 93 ALA N N 93 130.939 130.939 123.210 7.729 19482
155 1 . 1 1 93 93 ALA HA H 93 4.319 4.319 4.549 -0.230 19482
156 1 . 1 1 93 93 ALA C C 93 181.664 181.664 175.701 5.963 19482
157 1 . 1 1 93 93 ALA CA C 93 53.234 53.234 51.444 1.790 19482
158 1 . 1 1 93 93 ALA CB C 93 21.573 21.573 18.798 2.775 19482
159 1 . 1 1 93 93 ALA H H 93 7.820 7.820 8.092 -0.272 19482
stop_
save_