============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 4 1.040 49.558 34.893 39.995 -99.200 -91.000 TRP6 4 1.020 47.290 35.010 40.647 -99.200 -91.000 HIS 14 0.900 42.574 37.471 52.961 -99.200 -91.000 TYR 21 0.840 37.044 21.743 54.728 -99.200 -91.000 PHE 29 1.000 41.990 9.192 43.745 -99.200 -91.000 PHE 44 1.000 47.528 31.490 44.179 -99.200 -91.000 PHE 59 1.000 55.687 36.974 45.475 -99.200 -91.000 PHE 76 1.000 66.296 23.382 44.897 -99.200 -91.000 HIS 77 0.900 61.696 17.372 43.340 -99.200 -91.000 PHE 90 1.000 66.805 1.670 43.270 -99.200 -91.000 PHE 93 1.000 75.219 3.418 49.517 -99.200 -91.000 TYR 95 0.840 65.530 0.251 51.702 -99.200 -91.000 PHE 111 1.000 60.539 5.725 48.698 -99.200 -91.000 HIS 130 0.900 82.962 26.254 47.305 -99.200 -91.000 TYR 137 0.840 82.605 12.975 51.434 -99.200 -91.000 TYR 138 0.840 78.968 3.498 53.104 -99.200 -91.000 TYR 142 0.840 82.869 12.779 45.532 -99.200 -91.000 TRP 146 1.040 72.709 16.714 44.347 -99.200 -91.000 TRP6 146 1.020 73.643 14.854 45.429 -99.200 -91.000 PHE 160 1.000 51.503 25.489 56.551 -99.200 -91.000 PHE 174 1.000 43.281 18.227 49.640 -99.200 -91.000 HIS 175 0.900 38.419 26.382 54.755 -99.200 -91.000 PHE 176 1.000 44.664 24.756 49.514 -99.200 -91.000 TYR 180 0.840 52.409 31.413 58.050 -99.200 -91.000 HIS 214 0.900 58.740 7.388 39.620 -99.200 -91.000 HIS 219 0.900 61.897 14.304 46.616 -99.200 -91.000 TYR 231 0.840 62.768 31.022 52.625 -99.200 -91.000