============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 2 0.840 43.311 15.213 25.369 -99.200 -91.000 PHE 8 1.000 46.760 18.345 28.788 -99.200 -91.000 HIS 17 0.900 39.934 33.297 22.814 -99.200 -91.000 TRP 36 1.040 46.561 21.284 19.006 -99.200 -91.000 TRP6 36 1.020 46.733 23.269 17.728 -99.200 -91.000 PHE 57 1.000 34.917 14.488 7.983 -99.200 -91.000 HIS 65 0.900 50.840 5.998 10.296 -99.200 -91.000 PHE 67 1.000 50.577 4.460 15.297 -99.200 -91.000 PHE 74 1.000 44.036 11.307 12.044 -99.200 -91.000 PHE 112 1.000 71.976 28.157 10.858 -99.200 -91.000 HIS 117 0.900 62.021 32.476 15.901 -99.200 -91.000 PHE 141 1.000 44.632 30.518 9.165 -99.200 -91.000 TRP 146 1.040 59.257 34.082 17.277 -99.200 -91.000 TRP6 146 1.020 59.999 36.195 16.542 -99.200 -91.000 PHE 162 1.000 40.143 34.658 8.754 -99.200 -91.000 TYR 173 0.840 49.042 28.489 20.059 -99.200 -91.000 PHE 174 1.000 49.587 36.218 14.663 -99.200 -91.000 TYR 179 0.840 37.862 33.245 4.560 -99.200 -91.000 HIS 180 0.900 36.187 40.292 6.147 -99.200 -91.000