============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.204 9.090 40.179 -99.200 -91.000 TYR 17 0.840 -1.292 12.284 43.024 -99.200 -91.000 PHE 18 1.000 -4.931 15.441 41.366 -99.200 -91.000 TRP 23 1.040 1.567 13.266 46.307 -99.200 -91.000 TRP6 23 1.020 1.720 11.010 47.008 -99.200 -91.000 TYR 24 0.840 8.092 16.146 51.135 -99.200 -91.000 TYR 28 0.840 16.315 13.379 39.195 -99.200 -91.000 TYR 40 0.840 16.256 20.548 39.984 -99.200 -91.000 TYR 58 0.840 11.334 24.146 46.640 -99.200 -91.000 HIS 59 0.900 10.694 22.220 39.253 -99.200 -91.000 TYR 60 0.840 17.672 24.850 46.751 -99.200 -91.000 PHE 68 1.000 12.130 26.307 38.544 -99.200 -91.000 TYR 69 0.840 8.044 27.829 46.240 -99.200 -91.000 TYR 82 0.840 -5.387 14.541 36.128 -99.200 -91.000 PHE 86 1.000 4.883 25.925 32.850 -99.200 -91.000 TYR 104 0.840 1.480 21.610 26.654 -99.200 -91.000 TYR 105 0.840 2.745 20.297 35.016 -99.200 -91.000 PHE 107 1.000 1.400 14.954 37.928 -99.200 -91.000 TYR 111 0.840 1.503 2.066 43.225 -99.200 -91.000 HIS 120 0.900 5.401 10.772 30.875 -99.200 -91.000 HIS 124 0.900 5.061 19.692 25.337 -99.200 -91.000 TYR 134 0.840 8.742 7.381 32.811 -99.200 -91.000 PHE 160 1.000 14.136 2.883 42.492 -99.200 -91.000 PHE 163 1.000 12.881 5.862 37.979 -99.200 -91.000 TYR 173 0.840 11.697 18.791 50.086 -99.200 -91.000