============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 14 1.040 -26.827 -85.299 82.383 -99.200 -91.000 TRP6 14 1.020 -27.988 -86.560 80.762 -99.200 -91.000 PHE 19 1.000 -19.903 -85.195 101.022 -99.200 -91.000 TRP 37 1.040 -10.761 -86.038 81.581 -99.200 -91.000 TRP6 37 1.020 -9.466 -84.174 82.240 -99.200 -91.000 HIS 43 0.900 -19.416 -69.915 91.265 -99.200 -91.000 TYR 47 0.840 -15.905 -65.613 94.977 -99.200 -91.000 TRP 49 1.040 -17.455 -65.406 99.361 -99.200 -91.000 TRP6 49 1.020 -19.470 -66.640 99.306 -99.200 -91.000 PHE 53 1.000 -12.918 -76.206 98.490 -99.200 -91.000 HIS 65 0.900 -33.962 -89.490 93.471 -99.200 -91.000 TYR 70 0.840 -22.439 -95.167 100.072 -99.200 -91.000 TYR 84 0.840 -5.905 -80.277 84.166 -99.200 -91.000 HIS 86 0.900 -10.442 -70.327 80.445 -99.200 -91.000 TYR 89 0.840 -12.809 -68.050 88.180 -99.200 -91.000 TRP 91 1.040 -10.874 -64.335 91.072 -99.200 -91.000 TRP6 91 1.020 -10.194 -62.948 92.857 -99.200 -91.000 PHE 110 1.000 -19.771 -94.196 81.277 -99.200 -91.000 TYR 113 0.840 -30.046 -96.889 88.803 -99.200 -91.000 HIS 115 0.900 -25.021 -93.286 78.941 -99.200 -91.000 TYR 132 0.840 -35.930 -72.299 70.202 -99.200 -91.000 TRP 139 1.040 -28.909 -83.467 95.303 -99.200 -91.000 TRP6 139 1.020 -27.294 -84.192 93.732 -99.200 -91.000 PHE 176 1.000 -26.374 -70.146 78.367 -99.200 -91.000 TYR 180 0.840 -40.384 -70.122 83.222 -99.200 -91.000 PHE 196 1.000 -29.782 -74.124 80.387 -99.200 -91.000 PHE 202 1.000 -31.351 -80.376 64.414 -99.200 -91.000 TRP 206 1.040 -31.722 -85.685 77.526 -99.200 -91.000 TRP6 206 1.020 -33.098 -83.918 78.257 -99.200 -91.000 TYR 207 0.840 -25.877 -82.556 71.749 -99.200 -91.000 TYR 224 0.840 -34.425 -62.420 83.213 -99.200 -91.000 PHE 226 1.000 -25.681 -62.760 85.007 -99.200 -91.000 TYR 227 0.840 -28.268 -71.026 83.818 -99.200 -91.000 HIS 229 0.900 -22.348 -70.213 74.354 -99.200 -91.000 PHE 231 1.000 -19.883 -73.828 69.791 -99.200 -91.000 TRP 236 1.040 -9.398 -74.523 79.145 -99.200 -91.000 TRP6 236 1.020 -10.817 -75.226 80.900 -99.200 -91.000 PHE 244 1.000 -5.108 -88.669 79.693 -99.200 -91.000