============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 9 1.000 50.116 18.483 -1.778 -99.200 -91.000 PHE 17 1.000 49.378 23.669 0.373 -99.200 -91.000 HIS 42 0.900 39.029 15.764 -7.747 -99.200 -91.000 TYR 46 0.840 36.058 18.757 -4.570 -99.200 -91.000 HIS 50 0.900 41.362 15.467 8.071 -99.200 -91.000 TRP 84 1.040 64.011 19.671 -2.438 -99.200 -91.000 TRP6 84 1.020 61.692 19.999 -2.822 -99.200 -91.000 PHE 99 1.000 62.717 8.541 -1.353 -99.200 -91.000 HIS 108 0.900 64.107 15.280 -0.130 -99.200 -91.000 TYR 138 0.840 67.348 21.873 14.940 -99.200 -91.000 HIS 143 0.900 70.972 17.472 16.227 -99.200 -91.000 HIS 144 0.900 72.842 20.306 8.253 -99.200 -91.000 PHE 159 1.000 49.723 9.316 27.719 -99.200 -91.000 HIS 164 0.900 60.413 8.844 34.462 -99.200 -91.000 PHE 167 1.000 51.615 11.259 39.298 -99.200 -91.000 HIS 178 0.900 47.259 4.294 13.778 -99.200 -91.000 TYR 180 0.840 40.794 2.502 6.828 -99.200 -91.000 HIS 191 0.900 52.452 -4.589 4.698 -99.200 -91.000 TYR 274 0.840 41.873 16.407 32.331 -99.200 -91.000 TYR 284 0.840 39.176 13.519 21.028 -99.200 -91.000 TRP 311 1.040 39.972 10.126 22.743 -99.200 -91.000 TRP6 311 1.020 39.077 8.403 21.387 -99.200 -91.000 TYR 312 0.840 47.422 8.580 18.228 -99.200 -91.000 TYR 318 0.840 54.037 12.935 12.406 -99.200 -91.000 HIS 320 0.900 47.502 21.792 13.079 -99.200 -91.000 TYR 328 0.840 62.650 24.549 18.425 -99.200 -91.000