============================================================================= 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. HIS 27 0.900 17.735 20.737 26.539 -99.200 -91.000 PHE 29 1.000 26.370 13.457 27.908 -99.200 -91.000 PHE 39 1.000 26.860 23.980 31.428 -99.200 -91.000 PHE 40 1.000 33.674 28.340 31.389 -99.200 -91.000 HIS 44 0.900 30.204 29.705 18.216 -99.200 -91.000 PHE 49 1.000 31.459 43.104 30.800 -99.200 -91.000 PHE 84 1.000 33.851 42.484 25.936 -99.200 -91.000 PHE 96 1.000 41.277 45.397 35.161 -99.200 -91.000 TYR 98 0.840 37.245 36.877 40.064 -99.200 -91.000 TYR 106 0.840 44.343 31.982 36.023 -99.200 -91.000 TRP 109 1.040 46.163 40.955 34.289 -99.200 -91.000 TRP6 109 1.020 44.314 41.988 33.237 -99.200 -91.000 TRP 117 1.040 46.287 52.862 23.845 -99.200 -91.000 TRP6 117 1.020 45.515 51.908 21.823 -99.200 -91.000 TYR 118 0.840 40.872 58.901 25.115 -99.200 -91.000 HIS 120 0.900 39.526 52.700 23.313 -99.200 -91.000 HIS 130 0.900 40.429 41.453 24.130 -99.200 -91.000 TRP 137 1.040 43.102 36.563 30.894 -99.200 -91.000 TRP6 137 1.020 42.544 36.737 33.185 -99.200 -91.000 TYR 146 0.840 36.978 41.951 21.995 -99.200 -91.000 PHE 152 1.000 24.651 28.878 31.582 -99.200 -91.000