============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 32 0.840 61.078 54.000 92.647 -99.200 -91.000 TYR 34 0.840 59.813 48.556 89.428 -99.200 -91.000 TRP 35 1.040 58.440 49.965 80.906 -99.200 -91.000 TRP6 35 1.020 56.544 49.635 79.524 -99.200 -91.000 TYR 36 0.840 59.532 42.583 85.184 -99.200 -91.000 HIS 38 0.900 56.662 35.553 79.513 -99.200 -91.000 TYR 49 0.840 67.188 49.971 87.830 -99.200 -91.000 HIS 53 0.900 66.963 54.901 87.327 -99.200 -91.000 PHE 62 1.000 65.248 46.248 74.533 -99.200 -91.000 TYR 86 0.840 59.057 43.673 74.433 -99.200 -91.000 TYR 87 0.840 53.277 40.734 80.111 -99.200 -91.000 TRP 91 1.040 56.242 48.222 94.056 -99.200 -91.000 TRP6 91 1.020 55.783 46.089 94.936 -99.200 -91.000 TRP 99 1.040 54.410 43.275 90.371 -99.200 -91.000 TRP6 99 1.020 56.414 44.522 90.299 -99.200 -91.000 PHE 101 1.000 53.699 41.137 86.388 -99.200 -91.000 PHE 122 1.000 34.360 22.300 55.903 -99.200 -91.000 PHE 143 1.000 45.661 33.869 61.371 -99.200 -91.000 TYR 144 0.840 54.167 37.693 59.624 -99.200 -91.000 TRP 152 1.040 31.419 32.368 65.134 -99.200 -91.000 TRP6 152 1.020 31.046 30.750 63.456 -99.200 -91.000 TYR 176 0.840 51.613 33.267 63.935 -99.200 -91.000 TYR 181 0.840 35.905 23.911 66.344 -99.200 -91.000 TRP 189 1.040 21.484 24.209 60.675 -99.200 -91.000 TRP6 189 1.020 22.918 25.647 59.465 -99.200 -91.000 HIS 192 0.900 18.768 32.433 63.779 -99.200 -91.000 TYR 195 0.840 23.280 30.591 62.771 -99.200 -91.000 HIS 201 0.900 46.010 39.460 59.148 -99.200 -91.000