============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 2 0.840 103.974 -21.906 99.826 -99.200 -91.000 HIS 8 0.900 106.032 -18.272 111.671 -99.200 -91.000 TYR 18 0.840 103.803 -42.383 116.626 -99.200 -91.000 TRP 50 1.040 99.598 -24.511 115.444 -99.200 -91.000 TRP6 50 1.020 97.321 -23.955 115.575 -99.200 -91.000 HIS 53 0.900 105.910 -21.423 117.490 -99.200 -91.000 PHE 57 1.000 96.908 -17.266 120.450 -99.200 -91.000 TRP 73 1.040 88.682 -27.174 124.355 -99.200 -91.000 TRP6 73 1.020 88.509 -29.497 124.666 -99.200 -91.000 TYR 83 0.840 96.107 -32.746 106.147 -99.200 -91.000 PHE 88 1.000 94.655 -44.195 106.507 -99.200 -91.000 TYR 94 0.840 90.022 -40.440 116.901 -99.200 -91.000 TYR 98 0.840 92.956 -45.910 119.497 -99.200 -91.000 TYR 124 0.840 87.735 -30.056 105.560 -99.200 -91.000 PHE 134 1.000 95.509 -29.947 109.382 -99.200 -91.000 HIS 149 0.900 82.079 -14.287 128.798 -99.200 -91.000 HIS 164 0.900 88.671 -13.894 104.444 -99.200 -91.000 TYR 170 0.840 97.413 -22.625 99.172 -99.200 -91.000 HIS 175 0.900 94.286 -25.132 94.611 -99.200 -91.000 HIS 202 0.900 79.661 -39.234 123.431 -99.200 -91.000 PHE 203 1.000 85.857 -35.565 128.417 -99.200 -91.000 TYR 204 0.840 82.497 -30.846 129.213 -99.200 -91.000