============================================================================= 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 37.797 28.096 43.625 -99.200 -91.000 PHE 20 1.000 23.953 19.585 27.292 -99.200 -91.000 PHE 32 1.000 33.651 15.233 36.144 -99.200 -91.000 TRP 37 1.040 42.987 19.063 49.943 -99.200 -91.000 TRP6 37 1.020 44.479 17.245 50.207 -99.200 -91.000 PHE 44 1.000 27.421 14.663 36.173 -99.200 -91.000 TYR 45 0.840 19.605 17.390 39.384 -99.200 -91.000 TRP 54 1.040 15.674 12.732 40.962 -99.200 -91.000 TRP6 54 1.020 17.443 12.062 42.386 -99.200 -91.000 PHE 55 1.000 23.889 10.398 37.138 -99.200 -91.000 HIS 69 0.900 12.469 8.548 41.445 -99.200 -91.000 HIS 71 0.900 8.421 3.626 33.559 -99.200 -91.000 TRP 72 1.040 12.994 2.068 32.061 -99.200 -91.000 TRP6 72 1.020 13.439 4.199 31.130 -99.200 -91.000 TRP 88 1.040 44.460 18.680 39.024 -99.200 -91.000 TRP6 88 1.020 42.336 19.715 38.873 -99.200 -91.000 HIS 89 0.900 41.732 11.311 42.083 -99.200 -91.000 HIS 124 0.900 10.800 18.127 29.162 -99.200 -91.000 PHE 136 1.000 16.132 16.664 43.466 -99.200 -91.000 TRP 158 1.040 30.062 19.507 31.597 -99.200 -91.000 TRP6 158 1.020 29.969 17.967 33.397 -99.200 -91.000