============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 15.518 14.194 15.685 -99.200 -91.000 PHE 8 1.000 19.270 5.545 14.213 -99.200 -91.000 TYR 10 0.840 25.647 8.812 24.408 -99.200 -91.000 PHE 11 1.000 24.060 3.976 14.657 -99.200 -91.000 TYR 12 0.840 29.642 7.058 14.579 -99.200 -91.000 PHE 33 1.000 43.052 5.244 18.212 -99.200 -91.000 PHE 37 1.000 50.391 13.594 19.643 -99.200 -91.000 TYR 48 0.840 23.973 8.301 27.426 -99.200 -91.000 PHE 53 1.000 32.961 8.208 35.876 -99.200 -91.000 TYR 73 0.840 40.242 4.959 25.744 -99.200 -91.000 TYR 81 0.840 30.652 2.558 14.086 -99.200 -91.000 TYR 95 0.840 6.725 1.996 12.430 -99.200 -91.000 TYR 108 0.840 14.295 16.112 11.878 -99.200 -91.000 TYR 118 0.840 1.512 17.027 19.675 -99.200 -91.000 TYR 122 0.840 4.551 8.783 25.368 -99.200 -91.000 PHE 150 1.000 9.993 24.771 19.618 -99.200 -91.000 PHE 210 1.000 15.279 40.762 9.321 -99.200 -91.000 TYR 224 0.840 16.404 28.056 12.601 -99.200 -91.000 TYR 233 0.840 11.321 25.386 11.269 -99.200 -91.000 TYR 264 0.840 50.184 11.694 3.431 -99.200 -91.000 PHE 266 1.000 48.031 11.383 -7.023 -99.200 -91.000 TYR 273 0.840 36.436 8.768 -8.580 -99.200 -91.000 TYR 274 0.840 34.884 0.791 -0.949 -99.200 -91.000 HIS 285 0.900 34.443 22.357 -4.865 -99.200 -91.000 PHE 302 1.000 36.481 18.701 -15.131 -99.200 -91.000 HIS 304 0.900 33.727 16.041 -18.728 -99.200 -91.000 TYR 312 0.840 44.569 8.974 -9.106 -99.200 -91.000 PHE 337 1.000 35.986 13.396 -6.295 -99.200 -91.000 PHE 340 1.000 27.190 12.930 -5.892 -99.200 -91.000