============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 2 1.040 54.761 -24.826 124.044 -99.200 -91.000 TRP6 2 1.020 52.456 -24.787 124.561 -99.200 -91.000 TYR 20 0.840 55.370 -10.214 123.480 -99.200 -91.000 TRP 33 1.040 34.968 -29.748 122.411 -99.200 -91.000 TRP6 33 1.020 33.360 -28.020 122.230 -99.200 -91.000 TYR 36 0.840 32.217 -23.861 134.900 -99.200 -91.000 TRP 42 1.040 30.463 -24.188 128.608 -99.200 -91.000 TRP6 42 1.020 30.264 -25.482 130.562 -99.200 -91.000 HIS 50 0.900 29.508 -20.617 136.655 -99.200 -91.000 HIS 58 0.900 38.013 -10.569 138.462 -99.200 -91.000 PHE 61 1.000 31.601 -14.700 128.722 -99.200 -91.000 PHE 82 1.000 45.846 -12.988 111.734 -99.200 -91.000 TRP 84 1.040 47.674 -9.503 121.380 -99.200 -91.000 TRP6 84 1.020 49.279 -9.743 123.100 -99.200 -91.000 TYR 95 0.840 39.211 -24.374 132.236 -99.200 -91.000 TYR 102 0.840 42.242 -23.353 138.372 -99.200 -91.000 PHE 109 1.000 40.215 -24.756 126.527 -99.200 -91.000