============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 16 0.900 -15.347 11.475 30.109 -99.200 -91.000 PHE 18 1.000 -6.420 10.562 36.772 -99.200 -91.000 TYR 19 0.840 -14.926 12.087 39.561 -99.200 -91.000 TYR 21 0.840 -13.039 3.736 33.308 -99.200 -91.000 TYR 33 0.840 -2.492 8.578 40.268 -99.200 -91.000 TYR 45 0.840 10.844 18.425 36.049 -99.200 -91.000 TRP 50 1.040 17.350 22.501 36.264 -99.200 -91.000 TRP6 50 1.020 16.469 20.528 35.274 -99.200 -91.000 PHE 55 1.000 19.700 28.155 36.992 -99.200 -91.000 TYR 58 0.840 15.311 27.662 38.606 -99.200 -91.000 HIS 80 0.900 -14.698 20.157 26.237 -99.200 -91.000 TYR 81 0.840 -10.426 19.069 28.001 -99.200 -91.000 TYR 87 0.840 -12.221 14.056 15.827 -99.200 -91.000 TRP 95 1.040 -10.182 12.255 22.116 -99.200 -91.000 TRP6 95 1.020 -10.387 14.303 20.932 -99.200 -91.000 PHE 104 1.000 -5.674 20.171 28.612 -99.200 -91.000 PHE 106 1.000 -10.844 25.780 20.148 -99.200 -91.000 HIS 119 0.900 0.773 16.836 31.828 -99.200 -91.000 PHE 121 1.000 -1.742 14.294 35.391 -99.200 -91.000 TYR 123 0.840 -7.640 3.971 33.068 -99.200 -91.000 PHE 126 1.000 -3.541 8.740 24.489 -99.200 -91.000 TYR 135 0.840 1.383 21.417 21.630 -99.200 -91.000 HIS 140 0.900 8.243 27.764 17.436 -99.200 -91.000 TYR 148 0.840 -0.607 27.407 15.711 -99.200 -91.000 TYR 149 0.840 -5.978 33.128 14.070 -99.200 -91.000 TYR 158 0.840 -2.810 31.618 24.978 -99.200 -91.000 TYR 169 0.840 0.729 -2.171 25.046 -99.200 -91.000 HIS 184 0.900 9.533 11.347 27.463 -99.200 -91.000 HIS 188 0.900 9.456 15.724 24.910 -99.200 -91.000 PHE 190 1.000 10.245 22.769 33.918 -99.200 -91.000 HIS 194 0.900 11.411 11.745 22.444 -99.200 -91.000 TYR 212 0.840 20.779 9.529 32.470 -99.200 -91.000 TYR 215 0.840 16.448 5.293 24.655 -99.200 -91.000 HIS 221 0.900 17.102 -1.290 34.360 -99.200 -91.000 PHE 227 1.000 14.366 15.754 33.532 -99.200 -91.000 TYR 236 0.840 22.246 26.689 32.832 -99.200 -91.000 PHE 247 1.000 9.730 28.341 35.641 -99.200 -91.000