============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -41.399 -37.239 36.325 -99.200 -91.000 PHE 24 1.000 -38.810 -28.547 28.642 -99.200 -91.000 TYR 33 0.840 -32.159 -48.040 18.486 -99.200 -91.000 TYR 36 0.840 -25.110 -48.795 24.983 -99.200 -91.000 PHE 42 1.000 -42.452 -42.623 27.268 -99.200 -91.000 PHE 55 1.000 -36.355 -33.031 33.190 -99.200 -91.000 HIS 59 0.900 -32.807 -41.001 40.940 -99.200 -91.000 HIS 63 0.900 -35.986 -41.153 43.351 -99.200 -91.000 HIS 68 0.900 -29.170 -50.278 42.997 -99.200 -91.000 TYR 72 0.840 -25.871 -43.891 35.854 -99.200 -91.000 TRP 77 1.040 -27.145 -44.214 21.345 -99.200 -91.000 TRP6 77 1.020 -25.108 -45.153 20.588 -99.200 -91.000 TRP 86 1.040 -24.044 -25.858 25.240 -99.200 -91.000 TRP6 86 1.020 -22.179 -24.779 26.217 -99.200 -91.000 TYR 100 0.840 -18.805 -26.544 50.045 -99.200 -91.000 PHE 105 1.000 -29.032 -24.262 44.080 -99.200 -91.000 PHE 111 1.000 -15.316 -38.161 38.403 -99.200 -91.000 TYR 120 0.840 -17.660 -48.009 36.312 -99.200 -91.000 PHE 122 1.000 -22.021 -44.014 25.602 -99.200 -91.000 PHE 123 1.000 -15.650 -44.820 22.457 -99.200 -91.000 HIS 130 0.900 -7.677 -46.624 27.632 -99.200 -91.000 PHE 137 1.000 -17.863 -32.196 37.446 -99.200 -91.000 HIS 157 0.900 -20.499 -23.147 49.543 -99.200 -91.000 TYR 162 0.840 -21.299 -36.270 43.226 -99.200 -91.000 PHE 170 1.000 -28.867 -41.904 52.243 -99.200 -91.000 TRP 179 1.040 -17.248 -41.562 51.992 -99.200 -91.000 TRP6 179 1.020 -15.940 -43.340 51.101 -99.200 -91.000 TYR 183 0.840 -10.942 -41.685 49.394 -99.200 -91.000 TYR 206 0.840 -22.476 -34.450 33.405 -99.200 -91.000 TYR 215 0.840 -25.577 -29.665 57.311 -99.200 -91.000 PHE 218 1.000 -19.336 -36.120 58.647 -99.200 -91.000 TYR 244 0.840 -36.826 -19.174 31.848 -99.200 -91.000