============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 36 0.840 -1.424 -26.996 58.740 -99.200 -91.000 TRP 39 1.040 9.597 -18.839 60.870 -99.200 -91.000 TRP6 39 1.020 9.908 -17.181 62.523 -99.200 -91.000 PHE 41 1.000 13.007 -10.265 53.731 -99.200 -91.000 PHE 53 1.000 6.269 -25.317 52.433 -99.200 -91.000 PHE 66 1.000 17.140 -16.562 55.467 -99.200 -91.000 PHE 75 1.000 6.193 -23.413 66.452 -99.200 -91.000 TYR 90 0.840 13.920 -11.907 58.273 -99.200 -91.000 TYR 91 0.840 5.671 -9.008 59.570 -99.200 -91.000 TRP 93 1.040 0.130 -16.043 58.408 -99.200 -91.000 TRP6 93 1.020 0.168 -14.461 56.649 -99.200 -91.000 HIS 97 0.900 -5.200 -23.430 67.405 -99.200 -91.000 PHE 98 1.000 -11.615 -18.297 60.878 -99.200 -91.000 HIS 100 0.900 -5.543 -19.388 58.997 -99.200 -91.000 PHE 122 1.000 20.872 17.295 42.467 -99.200 -91.000 PHE 139 1.000 18.452 13.877 46.098 -99.200 -91.000 PHE 143 1.000 23.266 9.129 55.844 -99.200 -91.000 TYR 144 0.840 25.625 1.727 59.749 -99.200 -91.000 TRP 152 1.040 18.278 22.824 53.736 -99.200 -91.000 TRP6 152 1.020 19.134 23.091 51.531 -99.200 -91.000 TRP 167 1.040 17.306 9.661 57.636 -99.200 -91.000 TRP6 167 1.020 16.184 11.563 58.503 -99.200 -91.000 TYR 177 0.840 20.263 3.190 57.588 -99.200 -91.000 TYR 190 0.840 16.872 30.185 44.117 -99.200 -91.000 HIS 193 0.900 17.673 35.502 50.803 -99.200 -91.000 TYR 196 0.840 19.713 29.827 48.233 -99.200 -91.000 HIS 202 0.900 27.384 9.948 59.631 -99.200 -91.000 PHE 213 1.000 23.631 27.154 43.139 -99.200 -91.000