============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 15 0.840 37.022 34.375 28.994 -99.200 -91.000 PHE 36 1.000 56.373 35.501 38.624 -99.200 -91.000 HIS 51 0.900 45.876 40.126 43.896 -99.200 -91.000 PHE 71 1.000 58.782 13.316 50.266 -99.200 -91.000 TYR 72 0.840 66.783 8.456 49.431 -99.200 -91.000 PHE 88 1.000 59.612 15.615 56.353 -99.200 -91.000 HIS 89 0.900 52.231 11.630 54.309 -99.200 -91.000 HIS 95 0.900 49.402 21.025 45.329 -99.200 -91.000 TYR 102 0.840 62.708 25.307 50.319 -99.200 -91.000 TRP 105 1.040 67.265 21.019 52.852 -99.200 -91.000 TRP6 105 1.020 67.336 22.674 51.164 -99.200 -91.000 PHE 110 1.000 68.872 26.132 54.036 -99.200 -91.000 TRP 114 1.040 66.499 16.927 58.583 -99.200 -91.000 TRP6 114 1.020 65.228 17.394 56.641 -99.200 -91.000 TYR 116 0.840 71.907 8.010 54.631 -99.200 -91.000 PHE 119 1.000 65.034 6.342 54.276 -99.200 -91.000 HIS 142 0.900 58.304 42.439 36.670 -99.200 -91.000 PHE 164 1.000 47.695 23.775 39.122 -99.200 -91.000 PHE 165 1.000 39.640 27.590 37.222 -99.200 -91.000 TYR 177 0.840 38.801 11.536 45.213 -99.200 -91.000 TYR 187 0.840 40.893 4.593 40.809 -99.200 -91.000 HIS 189 0.900 51.294 6.707 43.550 -99.200 -91.000 PHE 195 1.000 46.177 4.808 49.409 -99.200 -91.000 TRP 201 1.040 33.591 18.581 46.350 -99.200 -91.000 TRP6 201 1.020 33.268 18.963 44.042 -99.200 -91.000 TYR 204 0.840 43.617 16.224 38.399 -99.200 -91.000 HIS 205 0.900 51.556 20.212 39.168 -99.200 -91.000 TYR 214 0.840 47.374 5.232 41.064 -99.200 -91.000 TRP 225 1.040 37.534 27.443 49.147 -99.200 -91.000 TRP6 225 1.020 39.262 26.036 49.934 -99.200 -91.000 PHE 229 1.000 39.756 31.645 44.843 -99.200 -91.000 PHE 233 1.000 36.031 25.703 33.798 -99.200 -91.000 PHE 234 1.000 34.317 24.883 38.499 -99.200 -91.000 HIS 239 0.900 32.832 21.417 33.198 -99.200 -91.000