============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 34.714 -77.178 42.956 -99.200 -91.000 HIS 6 0.900 35.133 -77.633 48.273 -99.200 -91.000 PHE 10 1.000 50.465 -82.543 45.253 -99.200 -91.000 TYR 17 0.840 44.876 -75.355 51.607 -99.200 -91.000 TYR 21 0.840 40.910 -77.270 55.539 -99.200 -91.000 PHE 23 1.000 47.822 -84.077 60.535 -99.200 -91.000 TYR 62 0.840 37.287 -91.131 72.302 -99.200 -91.000 PHE 64 1.000 38.948 -98.202 69.793 -99.200 -91.000 PHE 95 1.000 52.227-110.019 59.943 -99.200 -91.000 TYR 97 0.840 44.702-118.183 57.156 -99.200 -91.000 TYR 99 0.840 52.510-112.530 55.771 -99.200 -91.000 TYR 101 0.840 55.894-112.839 61.905 -99.200 -91.000 TYR 119 0.840 41.903 -94.128 53.540 -99.200 -91.000 TYR 124 0.840 37.365 -94.336 46.142 -99.200 -91.000 PHE 134 1.000 48.157 -98.642 65.470 -99.200 -91.000 TYR 146 0.840 57.133 -98.288 66.011 -99.200 -91.000 TYR 153 0.840 55.852 -88.584 60.069 -99.200 -91.000 TYR 154 0.840 55.605 -96.119 59.937 -99.200 -91.000 TYR 157 0.840 56.379 -90.369 68.052 -99.200 -91.000 HIS 176 0.900 62.005 -88.769 83.209 -99.200 -91.000 PHE 177 1.000 61.877 -90.050 78.548 -99.200 -91.000 HIS 183 0.900 64.599 -97.652 79.850 -99.200 -91.000 TRP 188 1.040 51.843-103.908 85.203 -99.200 -91.000 TRP6 188 1.020 49.893-102.804 85.966 -99.200 -91.000 PHE 194 1.000 57.836 -90.827 84.075 -99.200 -91.000 HIS 198 0.900 56.960 -86.807 84.567 -99.200 -91.000 PHE 207 1.000 44.441 -86.078 85.060 -99.200 -91.000 PHE 222 1.000 46.608-102.437 75.279 -99.200 -91.000 PHE 223 1.000 47.480-105.314 81.723 -99.200 -91.000