============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 39 0.840 118.658 65.414 -18.821 -99.200 -91.000 PHE 41 1.000 115.321 63.150 -12.965 -99.200 -91.000 TYR 46 0.840 101.876 56.727 -1.754 -99.200 -91.000 TYR 81 0.840 67.844 61.170 -33.133 -99.200 -91.000 TYR 82 0.840 71.497 62.093 -36.205 -99.200 -91.000 HIS 90 0.900 88.793 58.666 -12.156 -99.200 -91.000 PHE 92 1.000 100.279 60.187 -14.287 -99.200 -91.000 PHE 94 1.000 105.406 60.971 -9.913 -99.200 -91.000 TYR 100 0.840 110.187 53.697 -9.221 -99.200 -91.000 TYR 118 0.840 93.059 49.787 -26.080 -99.200 -91.000 TYR 119 0.840 88.154 51.056 -26.886 -99.200 -91.000 PHE 130 1.000 87.050 30.935 -25.162 -99.200 -91.000 PHE 138 1.000 89.041 22.115 -22.394 -99.200 -91.000 PHE 141 1.000 90.695 15.530 -26.568 -99.200 -91.000 PHE 159 1.000 85.192 34.261 -29.346 -99.200 -91.000 TYR 160 0.840 82.742 41.987 -26.391 -99.200 -91.000 PHE 163 1.000 84.908 35.929 -23.397 -99.200 -91.000 TYR 182 0.840 81.998 15.090 -26.584 -99.200 -91.000 TYR 187 0.840 76.798 26.737 -23.232 -99.200 -91.000 TYR 191 0.840 77.321 31.823 -33.232 -99.200 -91.000 PHE 196 1.000 73.485 31.468 -27.271 -99.200 -91.000