============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 5 0.900 37.766 27.988 43.537 -99.200 -91.000 PHE 20 1.000 23.714 19.617 27.279 -99.200 -91.000 PHE 32 1.000 33.508 15.172 36.052 -99.200 -91.000 TRP 37 1.040 43.087 18.955 49.629 -99.200 -91.000 TRP6 37 1.020 44.588 17.185 50.072 -99.200 -91.000 PHE 44 1.000 27.192 14.785 36.109 -99.200 -91.000 TYR 45 0.840 19.487 17.525 39.486 -99.200 -91.000 TRP 54 1.040 15.572 12.795 40.918 -99.200 -91.000 TRP6 54 1.020 17.299 12.121 42.394 -99.200 -91.000 PHE 55 1.000 23.773 10.412 37.105 -99.200 -91.000 HIS 69 0.900 12.536 8.588 41.675 -99.200 -91.000 HIS 71 0.900 8.859 7.373 33.851 -99.200 -91.000 TRP 72 1.040 12.779 1.822 32.094 -99.200 -91.000 TRP6 72 1.020 12.901 3.989 31.148 -99.200 -91.000 TRP 88 1.040 44.340 18.619 38.768 -99.200 -91.000 TRP6 88 1.020 42.196 19.609 38.588 -99.200 -91.000 HIS 89 0.900 41.687 11.269 41.853 -99.200 -91.000 HIS 123 0.900 10.476 11.386 29.405 -99.200 -91.000 PHE 135 1.000 16.091 16.872 43.566 -99.200 -91.000 TRP 157 1.040 29.944 19.476 31.390 -99.200 -91.000 TRP6 157 1.020 29.811 17.989 33.224 -99.200 -91.000