============================================================================= 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. TRP 2 1.040 -101.906 10.105 31.199 -99.200 -91.000 TRP6 2 1.020 -101.724 9.991 28.840 -99.200 -91.000 PHE 66 1.000 -128.984 6.448 23.142 -99.200 -91.000 TYR 101 0.840 -117.398 -18.012 27.846 -99.200 -91.000 TYR 102 0.840 -118.257 -21.006 23.938 -99.200 -91.000 PHE 111 1.000 -111.956 -29.651 25.142 -99.200 -91.000 PHE 117 1.000 -93.508 -32.745 15.874 -99.200 -91.000 TRP 128 1.040 -106.063 -28.949 30.321 -99.200 -91.000 TRP6 128 1.020 -106.560 -27.773 32.321 -99.200 -91.000 TYR 150 0.840 -113.883 -37.590 7.225 -99.200 -91.000 TYR 161 0.840 -121.128 -33.780 22.420 -99.200 -91.000 PHE 165 1.000 -114.214 -24.815 21.648 -99.200 -91.000 HIS 173 0.900 -94.171 -16.912 11.697 -99.200 -91.000 HIS 176 0.900 -95.706 -23.264 1.508 -99.200 -91.000 TRP 201 1.040 -112.090 -18.019 17.318 -99.200 -91.000 TRP6 201 1.020 -113.282 -18.667 19.260 -99.200 -91.000 PHE 219 1.000 -100.103 -19.780 12.443 -99.200 -91.000 HIS 220 0.900 -106.715 -12.953 7.922 -99.200 -91.000 PHE 255 1.000 -113.697 -16.213 24.599 -99.200 -91.000 PHE 268 1.000 -109.886 -6.995 23.762 -99.200 -91.000 PHE 273 1.000 -105.058 -4.953 25.370 -99.200 -91.000