============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 7 0.840 23.527 132.136 14.804 -99.200 -91.000 HIS 8 0.900 29.534 136.363 20.380 -99.200 -91.000 HIS 28 0.900 31.068 132.791 24.884 -99.200 -91.000 HIS 37 0.900 51.168 117.031 40.072 -99.200 -91.000 TRP 60 1.040 57.408 106.952 64.074 -99.200 -91.000 TRP6 60 1.020 55.068 107.040 63.720 -99.200 -91.000 TRP 76 1.040 50.924 112.116 62.143 -99.200 -91.000 TRP6 76 1.020 51.746 111.363 64.222 -99.200 -91.000 TYR 78 0.840 50.440 114.439 54.137 -99.200 -91.000 TYR 91 0.840 67.019 88.798 66.399 -99.200 -91.000 PHE 95 1.000 55.066 95.246 64.280 -99.200 -91.000 TYR 98 0.840 53.869 96.553 59.644 -99.200 -91.000 PHE 111 1.000 53.391 109.274 68.723 -99.200 -91.000 PHE 114 1.000 53.512 106.387 78.953 -99.200 -91.000 PHE 117 1.000 56.170 98.248 82.297 -99.200 -91.000 TRP 123 1.040 62.688 96.392 83.439 -99.200 -91.000 TRP6 123 1.020 61.015 94.721 83.527 -99.200 -91.000 HIS 126 0.900 64.383 89.357 85.878 -99.200 -91.000 TYR 137 0.840 73.826 104.999 66.422 -99.200 -91.000 PHE 143 1.000 66.557 94.736 70.884 -99.200 -91.000 TYR 144 0.840 64.027 96.647 67.314 -99.200 -91.000 TRP 149 1.040 67.332 90.383 74.487 -99.200 -91.000 TRP6 149 1.020 68.420 89.936 72.444 -99.200 -91.000 TYR 157 0.840 64.718 86.073 82.902 -99.200 -91.000 TYR 164 0.840 50.830 102.424 82.121 -99.200 -91.000 TRP 176 1.040 54.558 91.763 73.981 -99.200 -91.000 TRP6 176 1.020 52.323 92.535 73.877 -99.200 -91.000 HIS 179 0.900 66.111 85.757 71.122 -99.200 -91.000 HIS 180 0.900 59.816 82.423 69.487 -99.200 -91.000 TYR 191 0.840 66.084 84.985 77.154 -99.200 -91.000 TYR 197 0.840 55.206 81.493 82.348 -99.200 -91.000 TYR 205 0.840 47.043 90.581 74.199 -99.200 -91.000 PHE 209 1.000 52.736 85.865 73.059 -99.200 -91.000 TYR 228 0.840 60.057 92.647 66.406 -99.200 -91.000 TYR 229 0.840 53.608 88.594 69.611 -99.200 -91.000 TRP 230 1.040 49.746 95.559 67.081 -99.200 -91.000 TRP6 230 1.020 47.538 96.402 67.140 -99.200 -91.000 PHE 241 1.000 53.966 93.447 78.777 -99.200 -91.000 TRP 251 1.040 63.229 102.245 78.302 -99.200 -91.000 TRP6 251 1.020 65.392 102.520 77.328 -99.200 -91.000 TYR 252 0.840 61.520 105.465 76.282 -99.200 -91.000 PHE 254 1.000 55.050 105.147 70.747 -99.200 -91.000 HIS 272 0.900 59.655 122.043 48.217 -99.200 -91.000 HIS 282 0.900 51.462 110.842 40.738 -99.200 -91.000 PHE 291 1.000 33.399 114.982 37.578 -99.200 -91.000 HIS 295 0.900 47.678 108.573 43.322 -99.200 -91.000 TYR 305 0.840 41.713 108.754 39.626 -99.200 -91.000