============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 1 1.000 119.641 56.066 2.080 -99.200 -91.000 TYR 8 0.840 116.847 50.446 19.203 -99.200 -91.000 TYR 10 0.840 115.768 59.136 19.845 -99.200 -91.000 PHE 21 1.000 97.452 50.655 9.668 -99.200 -91.000 PHE 41 1.000 108.661 26.856 -25.449 -99.200 -91.000 TRP 73 1.040 97.074 31.701 -21.965 -99.200 -91.000 TRP6 73 1.020 97.998 30.876 -23.984 -99.200 -91.000 PHE 84 1.000 110.324 32.558 -27.578 -99.200 -91.000 TYR 100 0.840 113.889 34.579 -46.092 -99.200 -91.000 PHE 117 1.000 91.809 35.118 -28.893 -99.200 -91.000 PHE 131 1.000 113.013 29.911 -38.085 -99.200 -91.000 HIS 134 0.900 123.908 20.267 -37.899 -99.200 -91.000 TYR 145 0.840 132.710 35.280 -35.532 -99.200 -91.000 HIS 162 0.900 108.921 37.302 -37.250 -99.200 -91.000 HIS 192 0.900 105.352 46.699 -42.160 -99.200 -91.000 TYR 200 0.840 115.043 38.263 -26.637 -99.200 -91.000 TYR 203 0.840 124.613 39.158 -18.797 -99.200 -91.000 TYR 207 0.840 120.527 30.218 -14.032 -99.200 -91.000 TYR 208 0.840 119.966 31.690 -22.256 -99.200 -91.000 PHE 211 1.000 114.013 28.601 -26.231 -99.200 -91.000 TYR 222 0.840 126.162 33.641 -30.382 -99.200 -91.000 HIS 234 0.900 129.939 51.100 -22.538 -99.200 -91.000 TYR 255 0.840 122.814 37.060 -15.705 -99.200 -91.000 PHE 266 1.000 121.269 53.140 -20.820 -99.200 -91.000 PHE 271 1.000 108.916 45.429 -21.551 -99.200 -91.000 TYR 273 0.840 112.336 34.636 -22.221 -99.200 -91.000 TYR 279 0.840 107.736 26.585 -15.731 -99.200 -91.000 HIS 282 0.900 111.912 29.969 -9.104 -99.200 -91.000 TRP 290 1.040 112.369 19.136 -2.211 -99.200 -91.000 TRP6 290 1.020 114.127 18.920 -3.772 -99.200 -91.000 PHE 303 1.000 112.172 38.456 -12.865 -99.200 -91.000 TYR 314 0.840 109.047 29.848 -20.648 -99.200 -91.000 PHE 315 1.000 106.581 29.483 -12.495 -99.200 -91.000