============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 15 0.900 -15.305 139.868 21.392 -99.200 -91.000 TYR 20 0.840 -1.834 142.959 17.106 -99.200 -91.000 PHE 27 1.000 4.496 135.360 23.754 -99.200 -91.000 HIS 33 0.900 5.803 135.568 37.145 -99.200 -91.000 PHE 43 1.000 4.715 131.077 37.895 -99.200 -91.000 PHE 49 1.000 -10.109 128.581 28.549 -99.200 -91.000 HIS 55 0.900 -8.103 133.344 30.541 -99.200 -91.000 PHE 58 1.000 -5.134 126.357 30.828 -99.200 -91.000 PHE 59 1.000 -4.112 130.188 27.787 -99.200 -91.000 TYR 60 0.840 1.893 133.310 34.075 -99.200 -91.000 PHE 65 1.000 -3.207 127.781 22.389 -99.200 -91.000 PHE 82 1.000 -8.707 144.921 12.585 -99.200 -91.000 PHE 99 1.000 8.444 129.295 32.767 -99.200 -91.000 TYR 103 0.840 -4.655 124.164 25.933 -99.200 -91.000 HIS 106 0.900 -9.540 117.238 25.885 -99.200 -91.000 TRP 127 1.040 -19.835 149.387 19.209 -99.200 -91.000 TRP6 127 1.020 -18.026 148.199 20.157 -99.200 -91.000 TYR 128 0.840 -18.718 143.108 20.599 -99.200 -91.000 TYR 130 0.840 -16.218 138.086 10.198 -99.200 -91.000 TYR 131 0.840 -13.047 140.141 6.768 -99.200 -91.000 TYR 136 0.840 -20.882 139.590 15.243 -99.200 -91.000