============================================================================= 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. TYR 8 0.840 9.150 145.475 19.616 -99.200 -91.000 PHE 11 1.000 3.476 133.668 17.366 -99.200 -91.000 PHE 12 1.000 8.241 131.751 22.237 -99.200 -91.000 PHE 29 1.000 6.433 131.817 30.346 -99.200 -91.000 PHE 38 1.000 16.364 129.189 22.249 -99.200 -91.000 TRP 39 1.040 16.396 122.281 27.190 -99.200 -91.000 TRP6 39 1.020 16.119 120.022 27.800 -99.200 -91.000 TRP 42 1.040 20.002 116.185 20.646 -99.200 -91.000 TRP6 42 1.020 21.731 117.665 20.128 -99.200 -91.000 TYR 59 0.840 11.288 127.265 38.662 -99.200 -91.000 TYR 62 0.840 15.297 136.123 41.141 -99.200 -91.000 TYR 67 0.840 7.785 143.086 39.501 -99.200 -91.000 TRP 81 1.040 11.386 118.245 26.036 -99.200 -91.000 TRP6 81 1.020 9.030 118.409 25.992 -99.200 -91.000 TRP 92 1.040 13.284 126.419 33.264 -99.200 -91.000 TRP6 92 1.020 14.979 125.403 34.596 -99.200 -91.000 PHE 98 1.000 8.283 116.653 20.842 -99.200 -91.000 TYR 109 0.840 13.770 133.466 19.506 -99.200 -91.000 TYR 112 0.840 26.352 131.311 18.373 -99.200 -91.000