============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 2 1.040 44.767 -38.573 63.226 -99.200 -91.000 TRP6 2 1.020 47.031 -38.873 62.650 -99.200 -91.000 PHE 16 1.000 53.360 -41.903 51.705 -99.200 -91.000 TYR 19 0.840 45.002 -28.362 50.489 -99.200 -91.000 TYR 24 0.840 44.440 -30.940 54.733 -99.200 -91.000 TRP 25 1.040 40.079 -34.316 48.907 -99.200 -91.000 TRP6 25 1.020 37.788 -34.560 48.376 -99.200 -91.000 HIS 26 0.900 40.539 -41.266 54.700 -99.200 -91.000 TYR 47 0.840 40.019 -30.599 34.281 -99.200 -91.000 TYR 59 0.840 36.202 -29.722 32.292 -99.200 -91.000 PHE 63 1.000 30.403 -30.397 32.171 -99.200 -91.000 TYR 90 0.840 35.848 -33.794 6.155 -99.200 -91.000 HIS 91 0.900 33.111 -39.750 12.406 -99.200 -91.000 PHE 95 1.000 40.760 -35.651 5.210 -99.200 -91.000 PHE 110 1.000 43.282 -32.392 1.100 -99.200 -91.000 HIS 111 0.900 43.762 -31.755 -6.636 -99.200 -91.000 TYR 112 0.840 36.515 -28.955 0.503 -99.200 -91.000 PHE 118 1.000 37.023 -34.967 -6.233 -99.200 -91.000 HIS 121 0.900 48.748 -40.407 -7.448 -99.200 -91.000 PHE 145 1.000 40.584 -28.967 28.332 -99.200 -91.000