============================================================================= 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 4 0.900 37.805 27.771 43.728 -99.200 -91.000 PHE 19 1.000 24.091 19.614 27.349 -99.200 -91.000 PHE 31 1.000 33.611 15.230 36.078 -99.200 -91.000 TRP 36 1.040 43.131 18.687 49.830 -99.200 -91.000 TRP6 36 1.020 44.560 16.859 50.307 -99.200 -91.000 PHE 43 1.000 27.297 14.616 36.284 -99.200 -91.000 TYR 44 0.840 19.456 17.453 39.545 -99.200 -91.000 TRP 53 1.040 15.616 12.760 41.003 -99.200 -91.000 TRP6 53 1.020 17.378 12.108 42.443 -99.200 -91.000 PHE 54 1.000 23.762 10.232 37.032 -99.200 -91.000 HIS 68 0.900 12.476 8.668 41.612 -99.200 -91.000 HIS 70 0.900 8.170 3.698 33.915 -99.200 -91.000 TRP 71 1.040 12.852 2.127 32.054 -99.200 -91.000 TRP6 71 1.020 11.733 0.102 31.527 -99.200 -91.000 TRP 87 1.040 44.430 18.588 38.971 -99.200 -91.000 TRP6 87 1.020 42.309 19.634 38.811 -99.200 -91.000 HIS 88 0.900 41.729 11.185 42.027 -99.200 -91.000 HIS 123 0.900 11.045 18.379 29.677 -99.200 -91.000 PHE 135 1.000 16.170 16.844 43.544 -99.200 -91.000 TRP 157 1.040 30.043 19.389 31.373 -99.200 -91.000 TRP6 157 1.020 29.818 17.842 33.148 -99.200 -91.000