============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.342 6.339 18.357 -99.200 -91.000 TRP6 14 1.020 7.065 8.238 18.966 -99.200 -91.000 PHE 19 1.000 12.749 -5.245 3.058 -99.200 -91.000 TRP 37 1.040 22.777 10.489 14.017 -99.200 -91.000 TRP6 37 1.020 24.624 9.004 14.018 -99.200 -91.000 HIS 43 0.900 19.369 -8.384 19.042 -99.200 -91.000 TYR 47 0.840 23.541 -13.382 18.893 -99.200 -91.000 TRP 49 1.040 21.067 -16.759 16.725 -99.200 -91.000 TRP6 49 1.020 19.362 -15.242 17.348 -99.200 -91.000 PHE 53 1.000 22.245 -8.679 8.389 -99.200 -91.000 HIS 65 0.900 -1.018 0.525 9.876 -99.200 -91.000 TYR 70 0.840 7.348 1.625 -2.047 -99.200 -91.000 TYR 84 0.840 28.882 5.429 13.499 -99.200 -91.000 HIS 86 0.900 28.693 0.480 24.585 -99.200 -91.000 TYR 89 0.840 26.475 -6.884 21.024 -99.200 -91.000 TRP 91 1.040 29.873 -10.693 19.990 -99.200 -91.000 TRP6 91 1.020 30.805 -12.834 19.638 -99.200 -91.000 PHE 110 1.000 11.954 14.561 11.472 -99.200 -91.000 TYR 113 0.840 1.053 9.229 7.342 -99.200 -91.000 HIS 115 0.900 7.882 14.379 15.465 -99.200 -91.000 TYR 132 0.840 5.840 4.302 37.543 -99.200 -91.000 TRP 139 1.040 5.413 -3.839 10.807 -99.200 -91.000 TRP6 139 1.020 6.971 -2.057 10.907 -99.200 -91.000 PHE 177 1.000 13.761 -1.539 30.436 -99.200 -91.000 TYR 181 0.840 0.353 -7.234 31.804 -99.200 -91.000 PHE 200 1.000 9.286 -0.695 28.024 -99.200 -91.000 PHE 206 1.000 6.871 13.657 36.018 -99.200 -91.000 TRP 210 1.040 4.215 9.059 23.088 -99.200 -91.000 TRP6 210 1.020 3.412 7.031 24.004 -99.200 -91.000 TYR 211 0.840 11.245 11.840 27.293 -99.200 -91.000 TRP 218 1.040 18.478 -10.809 27.091 -99.200 -91.000 TRP6 218 1.020 17.877 -12.454 28.695 -99.200 -91.000 TYR 228 0.840 8.549 -11.712 34.182 -99.200 -91.000 PHE 230 1.000 15.422 -10.348 31.217 -99.200 -91.000 TYR 231 0.840 11.618 -4.905 26.663 -99.200 -91.000 HIS 233 0.900 18.465 1.708 32.263 -99.200 -91.000 PHE 235 1.000 20.164 8.170 32.138 -99.200 -91.000 TRP 240 1.040 28.501 4.014 22.143 -99.200 -91.000 TRP6 240 1.020 26.656 3.288 20.851 -99.200 -91.000 PHE 248 1.000 32.876 8.418 14.478 -99.200 -91.000