============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 22 0.900 38.702 -22.371 4.777 -99.200 -91.000 PHE 24 1.000 41.474 -19.483 9.622 -99.200 -91.000 TRP 32 1.040 43.239 -14.949 13.497 -99.200 -91.000 TRP6 32 1.020 41.833 -15.522 15.333 -99.200 -91.000 PHE 35 1.000 39.401 -26.209 16.198 -99.200 -91.000 HIS 47 0.900 24.662 -29.878 11.549 -99.200 -91.000 PHE 55 1.000 34.822 -25.558 20.322 -99.200 -91.000 TYR 60 0.840 38.360 -22.366 19.167 -99.200 -91.000 TYR 69 0.840 25.871 -16.523 -1.059 -99.200 -91.000 TRP 70 1.040 24.975 -11.660 -1.321 -99.200 -91.000 TRP6 70 1.020 26.343 -11.654 0.562 -99.200 -91.000 HIS 79 0.900 37.286 -8.758 4.534 -99.200 -91.000 HIS 81 0.900 38.106 -13.802 4.291 -99.200 -91.000 PHE 86 1.000 33.553 -19.547 18.921 -99.200 -91.000 TYR 96 0.840 30.929 -21.777 22.155 -99.200 -91.000 TYR 105 0.840 28.843 -2.753 0.711 -99.200 -91.000 TYR 107 0.840 29.276 -9.480 10.078 -99.200 -91.000