============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 29 1.000 40.684 -15.456 2.839 -99.200 -91.000 PHE 30 1.000 35.614 -17.681 -4.382 -99.200 -91.000 TYR 33 0.840 39.021 -19.011 5.417 -99.200 -91.000 PHE 65 1.000 51.910 -12.925 9.180 -99.200 -91.000 TYR 68 0.840 63.424 -19.225 10.519 -99.200 -91.000 PHE 69 1.000 60.242 -16.360 2.812 -99.200 -91.000 TYR 77 0.840 59.955 -30.160 18.075 -99.200 -91.000 PHE 84 1.000 63.514 -40.448 15.843 -99.200 -91.000 HIS 91 0.900 60.057 -16.031 15.569 -99.200 -91.000 TYR 98 0.840 54.560 -20.493 15.208 -99.200 -91.000 PHE 99 1.000 59.344 -26.281 18.492 -99.200 -91.000 TRP 100 1.040 60.001 -22.543 11.096 -99.200 -91.000 TRP6 100 1.020 58.985 -22.283 8.998 -99.200 -91.000 HIS 103 0.900 63.127 -27.914 1.796 -99.200 -91.000 TYR 114 0.840 57.640 -36.011 14.617 -99.200 -91.000 TYR 124 0.840 46.053 -19.853 2.357 -99.200 -91.000 HIS 125 0.900 47.659 -23.608 6.258 -99.200 -91.000 TYR 138 0.840 38.915 -9.224 3.753 -99.200 -91.000 PHE 139 1.000 31.957 -10.701 2.988 -99.200 -91.000 HIS 146 0.900 29.267 -9.656 -7.295 -99.200 -91.000 PHE 155 1.000 20.616 -23.261 -5.429 -99.200 -91.000 HIS 165 0.900 10.670 -14.987 7.694 -99.200 -91.000 TRP 198 1.040 18.223 -22.416 13.291 -99.200 -91.000 TRP6 198 1.020 17.258 -22.859 15.387 -99.200 -91.000 HIS 211 0.900 19.685 -21.485 17.672 -99.200 -91.000 TYR 219 0.840 29.112 -28.993 4.657 -99.200 -91.000 HIS 222 0.900 35.739 -33.040 5.440 -99.200 -91.000 PHE 224 1.000 38.011 -24.306 12.689 -99.200 -91.000 PHE 255 1.000 25.750 -8.656 30.795 -99.200 -91.000 HIS 281 0.900 48.597 -20.264 21.356 -99.200 -91.000 PHE 295 1.000 28.240 -15.940 27.023 -99.200 -91.000 PHE 304 1.000 46.373 -17.389 25.113 -99.200 -91.000 PHE 312 1.000 32.498 -30.571 24.843 -99.200 -91.000