============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 133.019 36.317 11.407 -99.200 -91.000 PHE 5 1.000 133.421 27.797 6.164 -99.200 -91.000 TYR 28 0.840 119.288 49.640 -4.275 -99.200 -91.000 TYR 44 0.840 118.997 58.976 -21.190 -99.200 -91.000 TYR 48 0.840 115.215 64.675 -26.239 -99.200 -91.000 TYR 50 0.840 122.213 71.509 -19.969 -99.200 -91.000 HIS 51 0.900 121.866 66.172 -28.530 -99.200 -91.000 PHE 54 1.000 124.455 70.939 -31.307 -99.200 -91.000 TYR 56 0.840 117.688 79.607 -30.362 -99.200 -91.000 PHE 57 1.000 121.917 79.580 -27.657 -99.200 -91.000 PHE 70 1.000 127.960 75.327 -21.053 -99.200 -91.000 PHE 71 1.000 123.548 75.853 -23.558 -99.200 -91.000 HIS 81 0.900 126.606 64.555 -14.794 -99.200 -91.000 TYR 88 0.840 124.647 53.056 -6.315 -99.200 -91.000 PHE 108 1.000 116.057 76.518 -25.628 -99.200 -91.000 HIS 110 0.900 113.637 87.063 -22.340 -99.200 -91.000 HIS 118 0.900 115.148 82.494 -22.002 -99.200 -91.000 HIS 138 0.900 122.106 62.616 1.336 -99.200 -91.000 PHE 152 1.000 126.519 56.513 -7.100 -99.200 -91.000 TYR 157 0.840 125.424 61.381 -9.810 -99.200 -91.000 TYR 171 0.840 130.115 79.470 -18.344 -99.200 -91.000 HIS 182 0.900 132.616 93.744 -29.798 -99.200 -91.000 TRP 185 1.040 130.979 87.300 -32.298 -99.200 -91.000 TRP6 185 1.020 133.236 88.005 -32.264 -99.200 -91.000 HIS 186 0.900 135.738 89.789 -26.261 -99.200 -91.000 PHE 187 1.000 129.974 84.136 -21.701 -99.200 -91.000 HIS 193 0.900 138.666 80.003 -29.649 -99.200 -91.000