============================================================================= 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 2 0.840 34.237 -90.032 31.483 -99.200 -91.000 PHE 9 1.000 17.552 -83.822 23.868 -99.200 -91.000 HIS 14 0.900 19.689 -76.051 18.763 -99.200 -91.000 PHE 16 1.000 24.265 -75.750 23.312 -99.200 -91.000 TYR 20 0.840 29.123 -76.511 21.066 -99.200 -91.000 HIS 68 0.900 30.250-103.032 -3.060 -99.200 -91.000 PHE 73 1.000 37.741 -87.545 6.613 -99.200 -91.000 HIS 94 0.900 25.223-107.361 3.716 -99.200 -91.000 TYR 106 0.840 23.625-103.531 6.070 -99.200 -91.000 TYR 110 0.840 28.110-100.612 10.802 -99.200 -91.000 TYR 118 0.840 31.164 -93.626 19.167 -99.200 -91.000 PHE 127 1.000 32.385 -91.826 15.631 -99.200 -91.000 PHE 136 1.000 27.826 -97.545 -10.090 -99.200 -91.000 TYR 145 0.840 22.134 -93.577 0.013 -99.200 -91.000 TYR 153 0.840 20.180 -93.282 6.622 -99.200 -91.000 TRP 156 1.040 22.573 -85.434 -0.283 -99.200 -91.000 TRP6 156 1.020 21.779 -83.217 -0.171 -99.200 -91.000 PHE 171 1.000 30.143 -75.067 -10.672 -99.200 -91.000 TYR 176 0.840 23.437 -83.640 -10.857 -99.200 -91.000 TYR 229 0.840 38.628 -84.026 -16.546 -99.200 -91.000