============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 1 0.900 -17.792 5.656 5.787 -99.200 -91.000 HIS 2 0.900 -15.463 11.128 4.580 -99.200 -91.000 PHE 5 1.000 -20.788 19.556 8.100 -99.200 -91.000 PHE 11 1.000 -9.037 22.699 -2.679 -99.200 -91.000 PHE 14 1.000 -11.639 37.345 -8.719 -99.200 -91.000 TYR 20 0.840 1.831 41.966 -8.052 -99.200 -91.000 TYR 22 0.840 5.282 46.184 -9.635 -99.200 -91.000 PHE 29 1.000 -2.990 59.088 -10.167 -99.200 -91.000 PHE 46 1.000 -8.695 44.737 4.737 -99.200 -91.000 TRP 50 1.040 0.959 38.049 8.882 -99.200 -91.000 TRP6 50 1.020 -1.355 38.501 9.100 -99.200 -91.000 TYR 54 0.840 6.017 35.110 15.049 -99.200 -91.000 TYR 75 0.840 -8.713 47.284 -8.087 -99.200 -91.000 PHE 77 1.000 -4.719 48.309 -4.120 -99.200 -91.000 HIS 78 0.900 4.122 42.358 -3.047 -99.200 -91.000 PHE 85 1.000 -0.742 51.826 3.324 -99.200 -91.000 TRP 110 1.040 -3.305 45.594 17.649 -99.200 -91.000 TRP6 110 1.020 -1.707 43.928 17.125 -99.200 -91.000 PHE 116 1.000 1.813 49.213 6.316 -99.200 -91.000 PHE 123 1.000 -13.581 47.271 11.972 -99.200 -91.000 TRP 140 1.040 -20.931 31.758 11.228 -99.200 -91.000 TRP6 140 1.020 -21.763 30.047 9.822 -99.200 -91.000 HIS 148 0.900 -24.646 27.340 6.300 -99.200 -91.000 TRP 165 1.040 1.577 35.789 2.132 -99.200 -91.000 TRP6 165 1.020 0.263 35.506 0.187 -99.200 -91.000 PHE 168 1.000 8.238 43.054 -7.543 -99.200 -91.000 TYR 177 0.840 -3.437 29.236 -2.194 -99.200 -91.000 TYR 183 0.840 -15.204 35.599 -5.711 -99.200 -91.000 PHE 186 1.000 -18.453 41.642 -4.100 -99.200 -91.000 TYR 189 0.840 -22.214 43.137 3.405 -99.200 -91.000