============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 20.974 31.704 59.092 -99.200 -91.000 TYR 36 0.840 18.812 34.200 63.501 -99.200 -91.000 TRP 39 1.040 8.482 31.589 72.557 -99.200 -91.000 TRP6 39 1.020 6.549 30.226 72.367 -99.200 -91.000 HIS 53 0.900 16.016 39.155 71.835 -99.200 -91.000 PHE 75 1.000 12.804 25.928 69.186 -99.200 -91.000 TYR 90 0.840 1.459 34.636 76.208 -99.200 -91.000 TYR 91 0.840 -0.397 34.867 67.501 -99.200 -91.000 HIS 97 0.900 14.791 26.907 58.274 -99.200 -91.000 PHE 98 1.000 12.405 35.574 52.513 -99.200 -91.000 TYR 100 0.840 12.035 36.417 58.160 -99.200 -91.000 PHE 102 1.000 4.081 35.816 62.534 -99.200 -91.000 PHE 122 1.000 -31.731 47.402 78.778 -99.200 -91.000 PHE 139 1.000 -26.857 45.220 76.706 -99.200 -91.000 PHE 143 1.000 -21.189 35.253 80.673 -99.200 -91.000 TYR 144 0.840 -13.972 31.879 84.545 -99.200 -91.000 TRP 152 1.040 -33.485 36.206 72.418 -99.200 -91.000 TRP6 152 1.020 -34.211 38.060 73.707 -99.200 -91.000 TRP 167 1.040 -20.667 35.131 73.550 -99.200 -91.000 TRP6 167 1.020 -21.502 34.555 71.406 -99.200 -91.000 TYR 177 0.840 -14.669 34.972 79.170 -99.200 -91.000 TYR 190 0.840 -42.534 44.592 70.842 -99.200 -91.000 HIS 193 0.900 -45.629 37.263 68.879 -99.200 -91.000 TYR 196 0.840 -41.894 40.155 72.886 -99.200 -91.000 HIS 202 0.900 -22.418 30.747 83.895 -99.200 -91.000 PHE 213 1.000 -40.289 43.082 77.157 -99.200 -91.000