============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 7 1.000 24.492 -23.504 27.087 -99.200 -91.000 PHE 20 1.000 16.054 -19.937 36.192 -99.200 -91.000 PHE 26 1.000 21.253 -28.499 30.672 -99.200 -91.000 HIS 42 0.900 33.257 -15.777 21.244 -99.200 -91.000 TYR 48 0.840 11.721 -18.779 27.198 -99.200 -91.000 TYR 50 0.840 4.721 -9.775 29.491 -99.200 -91.000 TYR 56 0.840 29.143 -13.522 30.355 -99.200 -91.000 PHE 58 1.000 26.808 -15.671 21.513 -99.200 -91.000 TYR 76 0.840 11.327 -18.442 39.253 -99.200 -91.000 TYR 90 0.840 18.225 -10.164 22.899 -99.200 -91.000 HIS 94 0.900 18.632 -7.230 19.651 -99.200 -91.000 PHE 96 1.000 23.281 -17.518 17.825 -99.200 -91.000 TYR 111 0.840 23.041 -27.361 23.037 -99.200 -91.000 TRP 150 1.040 13.719 -30.935 9.658 -99.200 -91.000 TRP6 150 1.020 13.639 -33.273 9.993 -99.200 -91.000 PHE 160 1.000 12.475 -27.997 34.282 -99.200 -91.000