============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 50.663 55.307 5.260 -99.200 -91.000 PHE 29 1.000 45.435 59.575 4.390 -99.200 -91.000 PHE 32 1.000 50.900 52.261 0.440 -99.200 -91.000 HIS 35 0.900 40.411 48.291 2.122 -99.200 -91.000 TRP 36 1.040 37.432 53.335 7.957 -99.200 -91.000 TRP6 36 1.020 38.062 54.224 10.059 -99.200 -91.000 TRP 47 1.040 36.502 45.379 3.688 -99.200 -91.000 TRP6 47 1.020 35.224 45.957 1.785 -99.200 -91.000 TRP 50 1.040 37.251 50.179 -1.072 -99.200 -91.000 TRP6 50 1.020 38.485 51.332 -2.733 -99.200 -91.000 TYR 60 0.840 30.190 54.342 2.726 -99.200 -91.000 PHE 64 1.000 29.347 47.588 8.504 -99.200 -91.000 PHE 68 1.000 27.977 52.000 10.289 -99.200 -91.000 PHE 70 1.000 33.997 53.693 5.269 -99.200 -91.000 TYR 80 0.840 38.929 63.026 10.566 -99.200 -91.000 TYR 94 0.840 32.883 50.527 14.798 -99.200 -91.000 PHE 95 1.000 40.623 46.253 15.238 -99.200 -91.000 PHE 99 1.000 43.259 45.651 -0.046 -99.200 -91.000 TYR 104 0.840 49.991 41.691 2.309 -99.200 -91.000 PHE 105 1.000 42.518 44.957 5.180 -99.200 -91.000 TRP 108 1.040 45.651 44.995 10.517 -99.200 -91.000 TRP6 108 1.020 43.348 44.481 10.344 -99.200 -91.000 TYR 127 0.840 35.119 47.981 47.859 -99.200 -91.000 TYR 147 0.840 34.837 49.038 35.871 -99.200 -91.000 PHE 148 1.000 28.307 51.683 31.166 -99.200 -91.000 TRP 156 1.040 48.776 44.274 41.048 -99.200 -91.000 TRP6 156 1.020 47.632 44.347 43.120 -99.200 -91.000 HIS 166 0.900 47.119 35.067 36.410 -99.200 -91.000 PHE 168 1.000 41.453 36.616 37.292 -99.200 -91.000 TYR 177 0.840 31.440 46.870 31.854 -99.200 -91.000 TRP 190 1.040 51.689 42.532 51.679 -99.200 -91.000 TRP6 190 1.020 50.126 41.305 52.957 -99.200 -91.000 HIS 201 0.900 35.669 54.394 34.965 -99.200 -91.000