============================================================================= 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. HIS 15 0.900 -13.112 27.869 16.139 -99.200 -91.000 PHE 18 1.000 -10.152 34.108 20.606 -99.200 -91.000 TRP 41 1.040 -0.977 40.696 19.286 -99.200 -91.000 TRP6 41 1.020 -0.971 39.216 21.136 -99.200 -91.000 TRP 43 1.040 -1.040 36.536 13.807 -99.200 -91.000 TRP6 43 1.020 0.675 37.153 15.317 -99.200 -91.000 HIS 44 0.900 -0.796 34.465 21.522 -99.200 -91.000 HIS 58 0.900 8.153 14.931 15.796 -99.200 -91.000 TRP 63 1.040 3.070 32.506 9.922 -99.200 -91.000 TRP6 63 1.020 1.257 34.035 9.931 -99.200 -91.000 HIS 67 0.900 2.549 28.935 0.669 -99.200 -91.000 TRP 68 1.040 -3.250 29.672 7.102 -99.200 -91.000 TRP6 68 1.020 -5.381 30.389 6.425 -99.200 -91.000 PHE 72 1.000 -3.407 36.365 9.165 -99.200 -91.000 TRP 83 1.040 6.841 33.504 22.285 -99.200 -91.000 TRP6 83 1.020 5.698 32.234 20.638 -99.200 -91.000 HIS 84 0.900 10.453 38.274 24.760 -99.200 -91.000 HIS 85 0.900 4.172 40.695 18.705 -99.200 -91.000 TYR 104 0.840 -2.994 31.060 11.317 -99.200 -91.000 TYR 115 0.840 -0.324 15.967 18.721 -99.200 -91.000 TRP 132 1.040 10.267 25.500 29.470 -99.200 -91.000 TRP6 132 1.020 9.664 27.536 30.531 -99.200 -91.000 HIS 151 0.900 -3.847 34.855 25.092 -99.200 -91.000 TYR 157 0.840 -13.199 41.994 31.208 -99.200 -91.000