============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 1 1.000 39.916 28.115 3.077 -99.200 -91.000 PHE 4 1.000 41.038 24.147 -0.902 -99.200 -91.000 TRP 14 1.040 38.096 30.269 -5.736 -99.200 -91.000 TRP6 14 1.020 39.223 30.703 -3.687 -99.200 -91.000 PHE 29 1.000 30.238 12.050 -0.195 -99.200 -91.000 TYR 36 0.840 41.640 28.371 -15.424 -99.200 -91.000 TYR 50 0.840 38.434 25.917 -22.830 -99.200 -91.000 PHE 60 1.000 48.494 20.494 1.942 -99.200 -91.000 PHE 63 1.000 42.817 24.138 -9.947 -99.200 -91.000 TRP 67 1.040 44.141 24.058 -21.548 -99.200 -91.000 TRP6 67 1.020 42.968 25.845 -20.548 -99.200 -91.000 TRP 80 1.040 46.324 25.709 -12.337 -99.200 -91.000 TRP6 80 1.020 44.962 25.148 -14.207 -99.200 -91.000 TYR 83 0.840 50.694 26.248 -0.415 -99.200 -91.000 TRP 97 1.040 50.754 27.303 -14.040 -99.200 -91.000 TRP6 97 1.020 51.934 27.240 -16.089 -99.200 -91.000 TYR 101 0.840 53.878 23.228 -25.006 -99.200 -91.000 PHE 116 1.000 43.941 30.043 -9.763 -99.200 -91.000 TYR 118 0.840 35.527 34.505 -1.770 -99.200 -91.000