============================================================================= 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 36 0.840 -43.174 5.381 14.141 -99.200 -91.000 PHE 41 1.000 -37.724 7.587 11.053 -99.200 -91.000 TRP 46 1.040 -41.675 -4.460 12.504 -99.200 -91.000 TRP6 46 1.020 -41.758 -6.327 11.079 -99.200 -91.000 HIS 50 0.900 -43.896 -3.787 21.113 -99.200 -91.000 PHE 51 1.000 -46.583 -9.064 12.408 -99.200 -91.000 PHE 78 1.000 -36.914 -9.162 11.515 -99.200 -91.000 PHE 80 1.000 -38.966 -12.216 19.098 -99.200 -91.000 TYR 96 0.840 -33.305 -14.180 18.434 -99.200 -91.000 PHE 117 1.000 -25.794 -12.390 28.334 -99.200 -91.000 TYR 129 0.840 -28.559 -17.052 6.009 -99.200 -91.000 HIS 131 0.900 -21.250 -9.772 9.035 -99.200 -91.000 HIS 133 0.900 -27.652 -14.369 2.541 -99.200 -91.000 HIS 142 0.900 -32.119 -3.946 25.445 -99.200 -91.000 PHE 144 1.000 -35.692 -3.316 29.656 -99.200 -91.000 HIS 145 0.900 -35.820 -5.624 37.218 -99.200 -91.000 TYR 194 0.840 -10.122 -2.551 25.732 -99.200 -91.000 PHE 218 1.000 -19.338 12.117 27.879 -99.200 -91.000 PHE 224 1.000 -33.070 2.382 19.462 -99.200 -91.000 HIS 249 0.900 -22.863 18.156 14.309 -99.200 -91.000