============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 4 0.900 -2.918 47.444 81.443 -99.200 -91.000 PHE 17 1.000 7.835 36.594 85.040 -99.200 -91.000 TRP 34 1.040 30.947 37.863 61.016 -99.200 -91.000 TRP6 34 1.020 32.257 35.912 60.878 -99.200 -91.000 TYR 55 0.840 29.113 24.971 65.390 -99.200 -91.000 PHE 80 1.000 28.190 37.165 66.021 -99.200 -91.000 HIS 91 0.900 32.018 13.409 57.537 -99.200 -91.000 TRP 96 1.040 34.459 5.682 57.210 -99.200 -91.000 TRP6 96 1.020 32.186 5.733 57.899 -99.200 -91.000 PHE 99 1.000 36.295 20.041 60.074 -99.200 -91.000 HIS 100 0.900 39.308 20.000 67.602 -99.200 -91.000 TRP 111 1.040 42.940 21.977 60.010 -99.200 -91.000 TRP6 111 1.020 40.831 21.340 59.161 -99.200 -91.000 PHE 112 1.000 43.706 22.979 67.417 -99.200 -91.000 TYR 127 0.840 30.501 29.612 69.672 -99.200 -91.000