============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 12 0.840 -2.353 32.037 5.005 -99.200 -91.000 TRP 15 1.040 -8.863 34.129 5.394 -99.200 -91.000 TRP6 15 1.020 -7.112 34.891 6.779 -99.200 -91.000 TYR 35 0.840 6.850 26.809 14.419 -99.200 -91.000 PHE 42 1.000 1.164 16.904 13.989 -99.200 -91.000 HIS 45 0.900 -0.828 12.126 20.559 -99.200 -91.000 PHE 50 1.000 12.070 20.634 12.201 -99.200 -91.000 TYR 51 0.840 10.905 29.183 10.870 -99.200 -91.000 PHE 54 1.000 6.584 31.439 9.902 -99.200 -91.000 HIS 69 0.900 -0.638 12.576 11.329 -99.200 -91.000 TYR 80 0.840 -5.434 28.556 14.436 -99.200 -91.000 PHE 82 1.000 -5.408 29.540 8.921 -99.200 -91.000 TYR 95 0.840 14.661 15.878 -1.853 -99.200 -91.000 TYR 108 0.840 -6.226 13.459 -2.234 -99.200 -91.000 TYR 131 0.840 17.060 4.754 11.799 -99.200 -91.000 HIS 136 0.900 20.066 21.416 19.054 -99.200 -91.000 TYR 153 0.840 19.758 43.205 8.160 -99.200 -91.000 TYR 156 0.840 18.083 38.674 9.483 -99.200 -91.000 TYR 173 0.840 26.536 13.607 2.807 -99.200 -91.000 PHE 178 1.000 13.226 21.766 8.187 -99.200 -91.000 PHE 179 1.000 17.532 30.671 12.968 -99.200 -91.000 PHE 185 1.000 21.987 27.087 11.639 -99.200 -91.000 PHE 197 1.000 25.673 15.387 10.444 -99.200 -91.000 PHE 201 1.000 29.544 20.096 11.648 -99.200 -91.000 TYR 208 0.840 30.096 30.718 4.511 -99.200 -91.000