============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 16 1.000 8.474 23.282 80.633 -99.200 -91.000 PHE 19 1.000 12.474 16.087 85.741 -99.200 -91.000 HIS 37 0.900 21.942 32.210 90.394 -99.200 -91.000 TYR 38 0.840 19.049 25.332 87.184 -99.200 -91.000 TYR 49 0.840 14.713 23.569 89.620 -99.200 -91.000 PHE 51 1.000 20.056 21.004 92.898 -99.200 -91.000 PHE 55 1.000 25.182 9.702 95.840 -99.200 -91.000 HIS 64 0.900 43.685 10.539 89.316 -99.200 -91.000 TYR 66 0.840 34.838 16.644 94.760 -99.200 -91.000 PHE 78 1.000 20.813 15.499 96.226 -99.200 -91.000 PHE 85 1.000 16.422 26.997 97.376 -99.200 -91.000 HIS 94 0.900 28.455 4.715 91.154 -99.200 -91.000 HIS 97 0.900 24.975 -1.784 100.986 -99.200 -91.000 PHE 114 1.000 27.645 4.386 83.754 -99.200 -91.000 PHE 139 1.000 23.780 0.730 74.459 -99.200 -91.000 PHE 152 1.000 13.684 0.175 86.834 -99.200 -91.000 HIS 153 0.900 5.605 -2.120 84.509 -99.200 -91.000 PHE 169 1.000 23.076 10.631 61.339 -99.200 -91.000 TYR 171 0.840 33.064 5.596 63.004 -99.200 -91.000 PHE 181 1.000 11.018 12.938 72.234 -99.200 -91.000 PHE 195 1.000 14.894 16.474 73.642 -99.200 -91.000 HIS 199 0.900 24.155 12.315 76.413 -99.200 -91.000 PHE 224 1.000 17.625 15.700 83.715 -99.200 -91.000 HIS 228 0.900 27.254 25.971 84.853 -99.200 -91.000 HIS 238 0.900 23.611 35.889 78.745 -99.200 -91.000 PHE 243 1.000 16.367 26.773 76.178 -99.200 -91.000