============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 5 0.900 64.342 39.659 24.002 -99.200 -91.000 PHE 11 1.000 55.143 31.929 28.647 -99.200 -91.000 TRP 15 1.040 53.702 36.834 38.328 -99.200 -91.000 TRP6 15 1.020 54.638 34.826 39.151 -99.200 -91.000 TYR 28 0.840 52.225 29.448 49.198 -99.200 -91.000 TYR 38 0.840 76.783 21.566 52.027 -99.200 -91.000 PHE 44 1.000 60.207 20.255 61.955 -99.200 -91.000 PHE 47 1.000 53.423 23.033 49.728 -99.200 -91.000 PHE 49 1.000 48.971 28.609 56.018 -99.200 -91.000 PHE 61 1.000 44.591 26.964 43.153 -99.200 -91.000 PHE 64 1.000 45.918 20.947 38.765 -99.200 -91.000 TYR 71 0.840 45.326 10.445 36.320 -99.200 -91.000 PHE 92 1.000 42.023 22.006 34.555 -99.200 -91.000 HIS 106 0.900 40.553 31.368 22.424 -99.200 -91.000 TYR 108 0.840 51.434 34.268 21.836 -99.200 -91.000 PHE 122 1.000 42.476 27.731 23.471 -99.200 -91.000 TYR 127 0.840 38.707 15.656 26.192 -99.200 -91.000 TRP 130 1.040 46.805 20.472 27.999 -99.200 -91.000 TRP6 130 1.020 48.631 20.374 29.490 -99.200 -91.000 PHE 131 1.000 42.131 17.189 30.589 -99.200 -91.000 TYR 134 0.840 50.212 10.840 24.769 -99.200 -91.000 PHE 147 1.000 45.374 17.191 34.911 -99.200 -91.000 HIS 149 0.900 52.393 11.603 29.745 -99.200 -91.000 PHE 151 1.000 49.293 20.852 34.889 -99.200 -91.000 HIS 165 0.900 59.430 19.642 37.607 -99.200 -91.000 TRP 167 1.040 51.110 25.519 43.612 -99.200 -91.000 TRP6 167 1.020 49.980 25.824 45.687 -99.200 -91.000 PHE 170 1.000 56.710 19.252 47.479 -99.200 -91.000 TYR 171 0.840 48.549 20.807 50.927 -99.200 -91.000 TYR 181 0.840 61.717 20.301 51.337 -99.200 -91.000 TYR 184 0.840 67.439 25.658 50.470 -99.200 -91.000 PHE 204 1.000 59.365 16.043 44.980 -99.200 -91.000 TRP 206 1.040 56.887 8.086 43.811 -99.200 -91.000 TRP6 206 1.020 54.688 8.709 44.337 -99.200 -91.000 PHE 217 1.000 56.220 28.125 36.657 -99.200 -91.000 PHE 224 1.000 52.096 31.525 35.294 -99.200 -91.000 PHE 226 1.000 45.401 23.542 30.368 -99.200 -91.000 TYR 229 0.840 53.887 23.395 32.108 -99.200 -91.000 PHE 233 1.000 51.583 20.299 22.140 -99.200 -91.000 TYR 250 0.840 61.399 33.768 40.559 -99.200 -91.000 HIS 259 0.900 55.343 11.821 23.990 -99.200 -91.000 TYR 262 0.840 47.382 12.994 21.117 -99.200 -91.000 TYR 267 0.840 61.019 19.286 32.965 -99.200 -91.000