============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 30 1.000 59.300 26.782 25.112 -99.200 -91.000 TRP 35 1.040 62.562 32.247 39.601 -99.200 -91.000 TRP6 35 1.020 62.804 30.457 41.152 -99.200 -91.000 TYR 36 0.840 54.939 34.639 38.781 -99.200 -91.000 PHE 49 1.000 60.635 40.428 32.536 -99.200 -91.000 HIS 53 0.900 65.812 39.734 30.700 -99.200 -91.000 PHE 62 1.000 64.020 39.590 45.896 -99.200 -91.000 HIS 79 0.900 64.629 44.210 55.060 -99.200 -91.000 TYR 86 0.840 60.522 34.626 47.489 -99.200 -91.000 PHE 87 1.000 54.040 29.467 45.223 -99.200 -91.000 HIS 96 0.900 48.635 23.268 28.456 -99.200 -91.000 PHE 99 1.000 52.188 29.442 38.545 -99.200 -91.000 PHE 120 1.000 47.737 12.433 71.947 -99.200 -91.000 PHE 141 1.000 56.827 22.831 62.548 -99.200 -91.000 TYR 142 0.840 62.181 30.211 63.047 -99.200 -91.000 TRP 150 1.040 49.778 10.075 58.614 -99.200 -91.000 TRP6 150 1.020 49.357 9.553 60.887 -99.200 -91.000 TYR 174 0.840 55.947 29.203 61.891 -99.200 -91.000 TYR 179 0.840 43.604 15.874 62.665 -99.200 -91.000 TRP 187 1.040 43.229 0.652 66.023 -99.200 -91.000 TRP6 187 1.020 45.358 1.677 66.214 -99.200 -91.000 HIS 190 0.900 47.596 -2.621 57.967 -99.200 -91.000 TYR 193 0.840 47.543 1.605 61.222 -99.200 -91.000 HIS 199 0.900 62.188 21.707 61.125 -99.200 -91.000