============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 33 0.840 43.871 84.001 9.223 -99.200 -91.000 PHE 39 1.000 36.639 81.971 3.689 -99.200 -91.000 TYR 78 0.840 26.730 95.164 -12.304 -99.200 -91.000 HIS 85 0.900 25.424 94.023 -27.266 -99.200 -91.000 TYR 102 0.840 33.274 95.808 -19.134 -99.200 -91.000 PHE 124 1.000 37.355 73.832 -16.826 -99.200 -91.000 PHE 133 1.000 33.859 75.898 -9.051 -99.200 -91.000 HIS 170 0.900 51.482 73.488 -19.143 -99.200 -91.000 TRP 183 1.040 38.640 87.717 -22.365 -99.200 -91.000 TRP6 183 1.020 37.894 85.521 -22.816 -99.200 -91.000 TRP 202 1.040 55.150 94.388 -7.496 -99.200 -91.000 TRP6 202 1.020 54.694 92.857 -5.749 -99.200 -91.000 TYR 213 0.840 24.415 86.335 5.802 -99.200 -91.000 TRP 223 1.040 52.735 87.707 -14.671 -99.200 -91.000 TRP6 223 1.020 50.388 87.821 -14.924 -99.200 -91.000 TYR 235 0.840 37.409 83.064 -2.122 -99.200 -91.000 PHE 236 1.000 35.894 90.553 5.726 -99.200 -91.000