============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 4 1.000 -35.915 22.361 3.882 -99.200 -91.000 TYR 8 0.840 -32.227 24.472 1.517 -99.200 -91.000 PHE 19 1.000 -42.863 4.229 7.822 -99.200 -91.000 PHE 34 1.000 -28.425 22.644 -2.372 -99.200 -91.000 PHE 44 1.000 -38.960 5.822 10.571 -99.200 -91.000 HIS 63 0.900 -22.031 14.060 9.887 -99.200 -91.000 HIS 67 0.900 -16.754 7.031 -3.607 -99.200 -91.000 HIS 69 0.900 -18.471 7.587 -9.094 -99.200 -91.000 TYR 77 0.840 -32.083 22.951 7.707 -99.200 -91.000 TYR 84 0.840 -38.051 19.794 6.953 -99.200 -91.000 PHE 87 1.000 -29.914 12.552 1.288 -99.200 -91.000 PHE 89 1.000 -32.541 18.097 -8.781 -99.200 -91.000 PHE 97 1.000 -37.357 4.985 -15.667 -99.200 -91.000 PHE 107 1.000 -25.207 11.090 -28.232 -99.200 -91.000 TYR 109 0.840 -26.561 0.258 -22.839 -99.200 -91.000 HIS 116 0.900 -17.244 5.629 -17.214 -99.200 -91.000 TYR 117 0.840 -23.839 4.760 -17.282 -99.200 -91.000 TYR 127 0.840 -16.416 6.127 1.238 -99.200 -91.000 HIS 129 0.900 -19.353 -4.017 0.404 -99.200 -91.000 HIS 135 0.900 -27.953 0.932 -1.064 -99.200 -91.000 PHE 159 1.000 -25.698 4.702 0.920 -99.200 -91.000 HIS 180 0.900 -38.805 -8.639 -9.521 -99.200 -91.000 PHE 181 1.000 -33.245 -5.072 -8.631 -99.200 -91.000 TYR 192 0.840 -28.665 -9.792 5.436 -99.200 -91.000 TRP 199 1.040 -28.478 -11.606 -5.651 -99.200 -91.000 TRP6 199 1.020 -28.125 -13.858 -6.318 -99.200 -91.000 PHE 206 1.000 -29.787 -11.854 -16.434 -99.200 -91.000 PHE 215 1.000 -32.182 -15.124 -9.847 -99.200 -91.000 TYR 216 0.840 -38.823 -14.399 -15.271 -99.200 -91.000 PHE 223 1.000 -39.221 -13.335 -1.881 -99.200 -91.000 TYR 231 0.840 -27.775 -16.653 -13.824 -99.200 -91.000 TRP 238 1.040 -28.533 -12.435 -21.627 -99.200 -91.000 TRP6 238 1.020 -26.825 -11.576 -20.237 -99.200 -91.000 HIS 240 0.900 -27.315 -9.586 -30.707 -99.200 -91.000 TYR 264 0.840 -12.669 -4.418 -1.265 -99.200 -91.000 HIS 269 0.900 -14.420 -10.147 -15.135 -99.200 -91.000 TRP 271 1.040 -17.352 -6.424 -19.791 -99.200 -91.000 TRP6 271 1.020 -19.050 -5.242 -18.646 -99.200 -91.000 TYR 278 0.840 -9.667 -8.447 -21.528 -99.200 -91.000 TYR 280 0.840 -17.708 -8.580 -27.802 -99.200 -91.000 HIS 283 0.900 -27.383 0.989 -30.119 -99.200 -91.000 PHE 294 1.000 -36.184 -3.243 -15.695 -99.200 -91.000