============================================================================= 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. PHE 5 1.000 24.150 14.238 41.854 -99.200 -91.000 HIS 22 0.900 12.452 45.562 29.997 -99.200 -91.000 PHE 24 1.000 14.163 36.987 31.717 -99.200 -91.000 TYR 36 0.840 34.556 11.234 33.505 -99.200 -91.000 PHE 43 1.000 20.695 26.689 30.157 -99.200 -91.000 TRP 54 1.040 20.856 33.916 25.524 -99.200 -91.000 TRP6 54 1.020 19.520 32.414 26.741 -99.200 -91.000 PHE 65 1.000 24.509 17.144 37.506 -99.200 -91.000 TYR 68 0.840 32.811 18.936 46.271 -99.200 -91.000 HIS 71 0.900 42.032 15.818 48.115 -99.200 -91.000 HIS 75 0.900 35.637 19.038 53.549 -99.200 -91.000 PHE 77 1.000 24.240 22.030 51.194 -99.200 -91.000 PHE 78 1.000 27.178 22.885 46.078 -99.200 -91.000 TYR 86 0.840 21.458 22.392 45.982 -99.200 -91.000 PHE 93 1.000 24.378 43.388 45.775 -99.200 -91.000 PHE 94 1.000 24.503 41.694 36.662 -99.200 -91.000 TYR 100 0.840 20.230 39.504 36.549 -99.200 -91.000 PHE 108 1.000 18.812 13.352 41.300 -99.200 -91.000 PHE 124 1.000 19.862 44.861 36.279 -99.200 -91.000 HIS 133 0.900 20.134 42.597 25.097 -99.200 -91.000 TYR 137 0.840 26.475 33.584 23.238 -99.200 -91.000 TYR 145 0.840 37.465 31.975 46.162 -99.200 -91.000 PHE 159 1.000 29.854 32.861 42.108 -99.200 -91.000 HIS 163 0.900 28.953 38.522 33.004 -99.200 -91.000 HIS 175 0.900 27.489 35.968 40.368 -99.200 -91.000 TYR 176 0.840 28.161 39.389 47.988 -99.200 -91.000 HIS 193 0.900 34.479 23.267 49.374 -99.200 -91.000 TYR 194 0.840 39.665 27.082 44.656 -99.200 -91.000 HIS 211 0.900 20.580 29.144 20.056 -99.200 -91.000 PHE 217 1.000 34.624 20.219 30.889 -99.200 -91.000