============================================================================= 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 17 0.900 -0.732 77.775 -0.201 -99.200 -91.000 TYR 18 0.840 2.425 71.383 2.130 -99.200 -91.000 PHE 22 1.000 1.963 73.546 17.092 -99.200 -91.000 PHE 23 1.000 1.770 64.726 14.499 -99.200 -91.000 PHE 28 1.000 10.164 68.538 9.759 -99.200 -91.000 TYR 43 0.840 15.039 59.531 10.343 -99.200 -91.000 PHE 51 1.000 7.599 64.074 2.305 -99.200 -91.000 PHE 75 1.000 15.007 54.798 7.426 -99.200 -91.000 HIS 78 0.900 17.789 54.280 15.675 -99.200 -91.000 PHE 86 1.000 14.257 51.540 3.585 -99.200 -91.000 PHE 89 1.000 17.872 58.748 4.533 -99.200 -91.000 TYR 95 0.840 15.535 65.777 -7.280 -99.200 -91.000 PHE 96 1.000 19.065 65.345 -2.587 -99.200 -91.000 PHE 105 1.000 10.500 52.497 -6.131 -99.200 -91.000 TYR 132 0.840 19.895 75.562 17.640 -99.200 -91.000 TRP 150 1.040 24.436 63.497 -3.713 -99.200 -91.000 TRP6 150 1.020 23.601 63.137 -1.514 -99.200 -91.000 HIS 161 0.900 20.865 68.647 -22.935 -99.200 -91.000 PHE 162 1.000 28.128 72.207 -19.508 -99.200 -91.000 TYR 179 0.840 29.402 83.307 -11.293 -99.200 -91.000 PHE 206 1.000 21.894 76.502 -14.500 -99.200 -91.000 TYR 210 0.840 25.030 80.109 -11.527 -99.200 -91.000 TYR 217 0.840 30.416 95.758 6.503 -99.200 -91.000 TYR 253 0.840 11.003 72.047 -7.612 -99.200 -91.000 PHE 255 1.000 5.812 69.796 -8.755 -99.200 -91.000 TRP 261 1.040 19.313 85.574 -3.903 -99.200 -91.000 TRP6 261 1.020 21.600 85.044 -4.236 -99.200 -91.000 TRP 262 1.040 16.840 81.563 3.763 -99.200 -91.000 TRP6 262 1.020 17.208 79.726 2.319 -99.200 -91.000 TYR 274 0.840 25.729 87.081 16.927 -99.200 -91.000 TYR 288 0.840 16.988 93.674 0.735 -99.200 -91.000 PHE 292 1.000 24.178 93.377 14.950 -99.200 -91.000 HIS 300 0.900 32.054 89.589 20.165 -99.200 -91.000 TRP 305 1.040 28.092 82.883 5.627 -99.200 -91.000 TRP6 305 1.020 27.957 83.171 7.978 -99.200 -91.000 TYR 311 0.840 19.529 79.449 -10.249 -99.200 -91.000 PHE 320 1.000 30.972 93.030 9.919 -99.200 -91.000