============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 14 0.840 17.588 42.461 3.646 -99.200 -91.000 HIS 21 0.900 35.840 46.482 1.240 -99.200 -91.000 TRP 43 1.040 29.459 60.644 8.997 -99.200 -91.000 TRP6 43 1.020 28.064 62.516 8.631 -99.200 -91.000 PHE 45 1.000 29.328 55.409 8.481 -99.200 -91.000 HIS 78 0.900 7.285 49.052 21.180 -99.200 -91.000 TYR 84 0.840 10.125 39.523 12.010 -99.200 -91.000 PHE 96 1.000 25.903 46.906 15.274 -99.200 -91.000 PHE 115 1.000 19.061 73.549 22.822 -99.200 -91.000 TYR 116 0.840 27.333 71.573 21.071 -99.200 -91.000 TRP 141 1.040 17.836 54.255 10.667 -99.200 -91.000 TRP6 141 1.020 17.703 56.209 9.336 -99.200 -91.000 TYR 146 0.840 18.880 53.333 20.311 -99.200 -91.000 PHE 147 1.000 13.959 46.805 23.301 -99.200 -91.000 TYR 149 0.840 24.139 52.603 24.172 -99.200 -91.000 TRP 155 1.040 30.646 41.465 19.675 -99.200 -91.000 TRP6 155 1.020 30.754 42.292 17.480 -99.200 -91.000 TYR 170 0.840 22.208 42.681 -4.639 -99.200 -91.000 TRP 189 1.040 1.102 75.100 4.103 -99.200 -91.000 TRP6 189 1.020 2.768 75.204 2.447 -99.200 -91.000