============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 4 1.000 70.573 15.321 19.353 -99.200 -91.000 TRP 14 1.040 74.751 17.060 21.198 -99.200 -91.000 TRP6 14 1.020 74.784 15.398 22.868 -99.200 -91.000 PHE 25 1.000 57.442 7.055 47.665 -99.200 -91.000 HIS 42 0.900 56.626 8.386 12.730 -99.200 -91.000 PHE 45 1.000 63.772 16.412 12.016 -99.200 -91.000 HIS 53 0.900 62.276 26.314 24.144 -99.200 -91.000 HIS 59 0.900 60.944 6.467 23.120 -99.200 -91.000 PHE 75 1.000 65.141 -1.488 40.907 -99.200 -91.000 TRP 90 1.040 53.465 1.848 37.975 -99.200 -91.000 TRP6 90 1.020 52.313 0.109 36.874 -99.200 -91.000 TYR 99 0.840 43.080 -0.528 28.962 -99.200 -91.000 HIS 100 0.900 51.181 -0.346 32.205 -99.200 -91.000 HIS 102 0.900 46.422 4.602 26.983 -99.200 -91.000 TRP 110 1.040 56.501 8.175 25.182 -99.200 -91.000 TRP6 110 1.020 55.600 8.978 23.144 -99.200 -91.000 PHE 112 1.000 62.551 8.002 30.714 -99.200 -91.000 PHE 120 1.000 68.554 9.629 22.477 -99.200 -91.000 PHE 123 1.000 74.549 11.915 35.830 -99.200 -91.000 PHE 124 1.000 67.820 7.479 31.996 -99.200 -91.000 HIS 125 0.900 62.605 11.839 38.016 -99.200 -91.000 HIS 135 0.900 67.369 -5.296 40.610 -99.200 -91.000 PHE 156 1.000 58.219 -10.355 22.179 -99.200 -91.000 HIS 157 0.900 50.121 -4.204 24.251 -99.200 -91.000 PHE 209 1.000 67.421 -15.050 14.494 -99.200 -91.000 TYR 210 0.840 64.031 -11.515 15.384 -99.200 -91.000 TYR 218 0.840 54.036 -2.469 0.480 -99.200 -91.000 HIS 222 0.900 47.390 -3.464 -2.643 -99.200 -91.000 TYR 267 0.840 53.656 8.505 17.165 -99.200 -91.000 HIS 268 0.900 48.808 4.612 11.921 -99.200 -91.000 TRP 281 1.040 35.490 -3.034 9.773 -99.200 -91.000 TRP6 281 1.020 34.268 -1.485 11.077 -99.200 -91.000 HIS 287 0.900 30.605 -10.388 14.501 -99.200 -91.000 PHE 310 1.000 68.620 -16.485 32.731 -99.200 -91.000 TYR 311 0.840 64.414 -18.933 32.200 -99.200 -91.000 HIS 322 0.900 73.560 0.895 10.932 -99.200 -91.000 PHE 324 1.000 76.963 4.512 14.698 -99.200 -91.000 PHE 327 1.000 76.272 11.176 26.991 -99.200 -91.000 PHE 334 1.000 66.687 12.661 16.282 -99.200 -91.000