============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 24 1.000 41.117 17.157 24.547 -99.200 -91.000 PHE 36 1.000 34.593 8.491 10.135 -99.200 -91.000 TYR 39 0.840 29.610 13.864 2.873 -99.200 -91.000 HIS 53 0.900 21.888 16.693 -0.358 -99.200 -91.000 HIS 56 0.900 23.484 7.935 -6.590 -99.200 -91.000 TYR 64 0.840 18.672 -2.887 8.979 -99.200 -91.000 PHE 70 1.000 25.624 7.713 6.064 -99.200 -91.000 HIS 79 0.900 44.340 -0.380 6.957 -99.200 -91.000 TYR 88 0.840 48.194 13.706 15.138 -99.200 -91.000 TYR 96 0.840 34.069 5.663 15.528 -99.200 -91.000 TYR 103 0.840 20.898 11.043 12.339 -99.200 -91.000 HIS 109 0.900 8.485 5.926 13.488 -99.200 -91.000 TRP 119 1.040 22.704 -4.908 10.656 -99.200 -91.000 TRP6 119 1.020 23.612 -3.013 9.572 -99.200 -91.000 PHE 125 1.000 31.471 0.194 18.006 -99.200 -91.000 TRP 135 1.040 36.323 10.121 27.732 -99.200 -91.000 TRP6 135 1.020 34.873 10.314 29.589 -99.200 -91.000 TYR 165 0.840 18.829 10.088 6.887 -99.200 -91.000 TYR 179 0.840 22.980 10.849 18.412 -99.200 -91.000 TRP 187 1.040 24.943 0.961 21.345 -99.200 -91.000 TRP6 187 1.020 26.189 1.707 19.479 -99.200 -91.000 TRP 191 1.040 27.565 7.206 24.860 -99.200 -91.000 TRP6 191 1.020 26.756 8.424 23.000 -99.200 -91.000