============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 -4.438 21.237 5.708 -99.200 -91.000 PHE 24 1.000 1.038 23.247 8.054 -99.200 -91.000 TRP 32 1.040 5.789 23.710 12.564 -99.200 -91.000 TRP6 32 1.020 7.271 22.180 11.537 -99.200 -91.000 PHE 35 1.000 7.041 21.297 0.465 -99.200 -91.000 HIS 47 0.900 -3.680 9.111 -6.034 -99.200 -91.000 PHE 55 1.000 10.406 15.970 0.305 -99.200 -91.000 TYR 60 0.840 10.031 19.056 3.992 -99.200 -91.000 TYR 69 0.840 -12.669 8.923 8.188 -99.200 -91.000 TRP 70 1.040 -12.158 9.193 13.885 -99.200 -91.000 TRP6 70 1.020 -12.644 7.003 13.129 -99.200 -91.000 PHE 78 1.000 -8.033 11.606 23.755 -99.200 -91.000 HIS 79 0.900 -5.557 10.844 19.372 -99.200 -91.000 HIS 81 0.900 -3.440 18.212 14.764 -99.200 -91.000 PHE 86 1.000 9.278 13.574 7.047 -99.200 -91.000 TYR 96 0.840 12.011 10.977 2.975 -99.200 -91.000 TYR 105 0.840 -11.726 7.880 23.120 -99.200 -91.000 TYR 107 0.840 -1.845 9.549 15.980 -99.200 -91.000