============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -5.699 32.599 74.359 -99.200 -91.000 TYR 16 0.840 -9.828 25.966 87.785 -99.200 -91.000 TYR 24 0.840 -14.476 15.561 91.097 -99.200 -91.000 PHE 29 1.000 -9.007 22.488 83.288 -99.200 -91.000 TYR 32 0.840 -9.000 29.920 69.953 -99.200 -91.000 PHE 46 1.000 -6.182 14.441 69.937 -99.200 -91.000 TYR 48 0.840 -9.448 16.278 74.642 -99.200 -91.000 TYR 58 0.840 1.926 30.963 79.060 -99.200 -91.000 TRP 67 1.040 14.342 24.800 77.463 -99.200 -91.000 TRP6 67 1.020 13.232 26.700 76.556 -99.200 -91.000 HIS 77 0.900 9.145 12.050 74.782 -99.200 -91.000 TYR 90 0.840 16.995 30.958 67.335 -99.200 -91.000 PHE 98 1.000 6.051 26.324 69.679 -99.200 -91.000 PHE 102 1.000 -3.454 28.090 68.777 -99.200 -91.000 TYR 111 0.840 -0.777 55.298 78.703 -99.200 -91.000 TYR 131 0.840 8.743 52.111 78.655 -99.200 -91.000 PHE 142 1.000 10.668 42.548 69.834 -99.200 -91.000 PHE 143 1.000 9.906 45.611 74.163 -99.200 -91.000 TYR 151 0.840 11.144 47.952 68.980 -99.200 -91.000 TRP 155 1.040 16.629 44.611 78.174 -99.200 -91.000 TRP6 155 1.020 15.017 43.450 79.473 -99.200 -91.000 PHE 157 1.000 11.175 53.091 82.388 -99.200 -91.000 TYR 182 0.840 3.141 49.222 83.928 -99.200 -91.000 TYR 193 0.840 -10.861 38.200 77.191 -99.200 -91.000 TYR 213 0.840 -0.795 33.228 71.264 -99.200 -91.000 TYR 223 0.840 -0.637 12.078 68.287 -99.200 -91.000 HIS 241 0.900 -13.599 35.347 61.643 -99.200 -91.000 TRP 247 1.040 -14.196 30.597 73.373 -99.200 -91.000 TRP6 247 1.020 -15.172 30.144 75.516 -99.200 -91.000 TRP 248 1.040 -10.044 37.726 71.713 -99.200 -91.000 TRP6 248 1.020 -9.391 35.447 71.886 -99.200 -91.000