============================================================================= 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 12.683 27.317 -48.546 -99.200 -91.000 HIS 30 0.900 40.352 16.847 -64.964 -99.200 -91.000 TYR 36 0.840 36.196 14.671 -61.997 -99.200 -91.000 TYR 38 0.840 31.438 13.717 -57.011 -99.200 -91.000 TRP 39 1.040 22.911 16.428 -58.351 -99.200 -91.000 TRP6 39 1.020 21.961 18.518 -57.751 -99.200 -91.000 TYR 40 0.840 27.623 14.089 -51.459 -99.200 -91.000 HIS 49 0.900 21.194 9.180 -48.947 -99.200 -91.000 TYR 53 0.840 29.664 7.578 -59.536 -99.200 -91.000 HIS 54 0.900 33.320 10.521 -61.581 -99.200 -91.000 PHE 66 1.000 16.337 9.954 -56.362 -99.200 -91.000 PHE 75 1.000 26.825 21.714 -62.426 -99.200 -91.000 TYR 90 0.840 16.891 15.556 -53.080 -99.200 -91.000 TYR 91 0.840 22.824 19.959 -48.142 -99.200 -91.000 HIS 94 0.900 34.464 22.001 -55.804 -99.200 -91.000 PHE 102 1.000 29.997 19.562 -49.188 -99.200 -91.000 PHE 122 1.000 0.014 12.179 -24.245 -99.200 -91.000 PHE 139 1.000 2.991 14.366 -28.144 -99.200 -91.000 PHE 143 1.000 -0.585 19.196 -38.729 -99.200 -91.000 TYR 144 0.840 -0.014 18.340 -47.406 -99.200 -91.000 TRP 152 1.040 -2.593 24.802 -25.039 -99.200 -91.000 TRP6 152 1.020 -2.591 22.677 -24.014 -99.200 -91.000 TRP 167 1.040 3.711 23.277 -37.338 -99.200 -91.000 TRP6 167 1.020 3.305 25.089 -35.885 -99.200 -91.000 TYR 177 0.840 4.350 19.458 -43.392 -99.200 -91.000 TYR 190 0.840 -2.251 19.942 -13.445 -99.200 -91.000 HIS 193 0.900 -7.597 27.801 -13.047 -99.200 -91.000 TYR 196 0.840 -5.557 21.980 -16.389 -99.200 -91.000 HIS 202 0.900 -5.305 20.445 -41.098 -99.200 -91.000 PHE 213 1.000 -5.356 17.104 -18.407 -99.200 -91.000