============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 9.209 25.320 -48.936 -99.200 -91.000 HIS 30 0.900 37.417 17.880 -65.981 -99.200 -91.000 TYR 36 0.840 33.443 15.490 -62.917 -99.200 -91.000 TYR 38 0.840 28.880 13.969 -57.960 -99.200 -91.000 TRP 39 1.040 20.152 15.910 -59.210 -99.200 -91.000 TRP6 39 1.020 18.938 17.851 -58.580 -99.200 -91.000 TYR 40 0.840 25.230 13.970 -52.419 -99.200 -91.000 HIS 49 0.900 19.427 8.359 -49.958 -99.200 -91.000 TYR 53 0.840 27.474 7.659 -60.444 -99.200 -91.000 HIS 54 0.900 30.933 11.244 -62.399 -99.200 -91.000 PHE 66 1.000 14.106 8.910 -57.434 -99.200 -91.000 PHE 75 1.000 23.449 21.548 -63.226 -99.200 -91.000 TYR 90 0.840 14.355 14.037 -53.893 -99.200 -91.000 TYR 91 0.840 19.919 19.022 -48.996 -99.200 -91.000 HIS 94 0.900 31.166 22.502 -56.690 -99.200 -91.000 PHE 102 1.000 26.885 19.518 -50.026 -99.200 -91.000 PHE 122 1.000 -2.628 10.698 -24.871 -99.200 -91.000 PHE 139 1.000 0.341 12.044 -28.748 -99.200 -91.000 PHE 143 1.000 -2.911 15.707 -39.585 -99.200 -91.000 TYR 144 0.840 -2.322 14.841 -48.231 -99.200 -91.000 TRP 152 1.040 -5.531 22.742 -26.565 -99.200 -91.000 TRP6 152 1.020 -5.646 20.741 -25.323 -99.200 -91.000 TRP 167 1.040 1.018 20.300 -38.674 -99.200 -91.000 TRP6 167 1.020 0.492 22.281 -37.469 -99.200 -91.000 TYR 177 0.840 2.124 16.240 -43.999 -99.200 -91.000 TYR 190 0.840 -5.375 19.400 -14.751 -99.200 -91.000 HIS 193 0.900 -10.804 26.636 -15.126 -99.200 -91.000 TYR 196 0.840 -8.706 20.984 -18.182 -99.200 -91.000 HIS 202 0.900 -7.634 16.910 -42.307 -99.200 -91.000 PHE 213 1.000 -8.441 15.721 -19.406 -99.200 -91.000