============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 36 1.000 10.191 60.551 97.690 -99.200 -91.000 TRP 39 1.040 12.929 71.199 88.679 -99.200 -91.000 TRP6 39 1.020 11.734 72.048 86.818 -99.200 -91.000 TYR 53 0.840 18.448 65.613 96.820 -99.200 -91.000 PHE 66 1.000 21.832 74.162 86.408 -99.200 -91.000 PHE 75 1.000 6.602 70.947 92.817 -99.200 -91.000 TYR 90 0.840 17.492 72.953 81.669 -99.200 -91.000 TYR 91 0.840 12.952 65.696 79.154 -99.200 -91.000 TRP 93 1.040 10.693 60.688 87.036 -99.200 -91.000 TRP6 93 1.020 12.663 59.390 87.130 -99.200 -91.000 HIS 97 0.900 0.654 61.461 94.185 -99.200 -91.000 PHE 98 1.000 2.630 52.083 90.203 -99.200 -91.000 TYR 100 0.840 6.874 56.164 91.119 -99.200 -91.000 PHE 102 1.000 10.816 60.786 83.393 -99.200 -91.000 PHE 122 1.000 32.777 68.785 50.673 -99.200 -91.000 PHE 139 1.000 29.201 68.398 54.807 -99.200 -91.000 PHE 143 1.000 23.668 77.630 60.256 -99.200 -91.000 TYR 144 0.840 22.319 82.368 67.552 -99.200 -91.000 TRP 152 1.040 21.083 71.839 46.822 -99.200 -91.000 TRP6 152 1.020 23.336 71.286 46.372 -99.200 -91.000 TRP 167 1.040 18.416 72.365 59.422 -99.200 -91.000 TRP6 167 1.020 16.742 70.920 58.574 -99.200 -91.000 TYR 177 0.840 21.175 76.606 66.384 -99.200 -91.000 TYR 190 0.840 27.166 64.802 38.692 -99.200 -91.000 HIS 193 0.900 21.183 69.327 33.452 -99.200 -91.000 TYR 196 0.840 25.445 69.420 38.948 -99.200 -91.000 HIS 202 0.900 22.880 83.291 59.141 -99.200 -91.000 PHE 213 1.000 30.355 70.367 41.521 -99.200 -91.000