============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 3 1.000 5.743 15.294 85.201 -99.200 -91.000 PHE 5 1.000 10.314 12.463 83.995 -99.200 -91.000 PHE 7 1.000 13.392 6.735 82.474 -99.200 -91.000 TYR 23 0.840 20.687 22.201 82.402 -99.200 -91.000 PHE 30 1.000 26.918 10.182 78.897 -99.200 -91.000 TYR 39 0.840 33.795 2.106 77.213 -99.200 -91.000 TRP 42 1.040 30.838 13.812 76.468 -99.200 -91.000 TRP6 42 1.020 28.503 14.150 76.355 -99.200 -91.000 TRP 57 1.040 30.356 -4.779 73.681 -99.200 -91.000 TRP6 57 1.020 29.918 -5.807 71.602 -99.200 -91.000 TRP 71 1.040 16.347 10.769 88.024 -99.200 -91.000 TRP6 71 1.020 14.110 11.399 88.466 -99.200 -91.000 TRP 74 1.040 12.334 16.508 86.048 -99.200 -91.000 TRP6 74 1.020 11.151 17.851 84.498 -99.200 -91.000 HIS 86 0.900 10.618 -0.985 73.767 -99.200 -91.000 TYR 91 0.840 18.219 -3.924 83.051 -99.200 -91.000 PHE 102 1.000 25.045 6.273 86.385 -99.200 -91.000 PHE 114 1.000 26.350 -12.013 80.840 -99.200 -91.000 PHE 153 1.000 2.879 -8.276 71.301 -99.200 -91.000 HIS 164 0.900 16.491 -20.787 65.496 -99.200 -91.000 HIS 193 0.900 13.114 -8.017 75.256 -99.200 -91.000 PHE 212 1.000 17.356 -5.191 91.579 -99.200 -91.000 TYR 243 0.840 12.830 -16.099 79.876 -99.200 -91.000 TRP 248 1.040 5.954 1.548 74.746 -99.200 -91.000 TRP6 248 1.020 6.979 1.981 76.836 -99.200 -91.000 PHE 254 1.000 -0.928 -0.323 84.966 -99.200 -91.000 HIS 262 0.900 3.490 15.532 77.651 -99.200 -91.000 TYR 264 0.840 7.199 16.131 80.180 -99.200 -91.000