============================================================================= 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 6.112 20.676 26.194 -99.200 -91.000 PHE 24 1.000 0.737 22.940 23.994 -99.200 -91.000 TRP 32 1.040 -3.947 24.063 19.709 -99.200 -91.000 TRP6 32 1.020 -5.398 22.426 20.587 -99.200 -91.000 PHE 35 1.000 -5.136 21.182 31.500 -99.200 -91.000 HIS 47 0.900 1.002 7.980 36.814 -99.200 -91.000 PHE 55 1.000 -8.473 16.219 31.348 -99.200 -91.000 TYR 60 0.840 -8.148 19.371 28.019 -99.200 -91.000 TYR 69 0.840 12.674 7.718 23.659 -99.200 -91.000 TRP 70 1.040 12.111 8.017 18.209 -99.200 -91.000 TRP6 70 1.020 12.645 5.810 18.827 -99.200 -91.000 PHE 78 1.000 7.847 11.058 8.462 -99.200 -91.000 HIS 79 0.900 5.995 10.041 12.806 -99.200 -91.000 HIS 81 0.900 4.343 17.397 17.251 -99.200 -91.000 PHE 86 1.000 -7.498 14.030 25.023 -99.200 -91.000 TYR 96 0.840 -10.288 11.551 28.812 -99.200 -91.000 TYR 105 0.840 11.967 7.134 9.292 -99.200 -91.000 TYR 107 0.840 2.657 9.317 16.173 -99.200 -91.000