============================================================================= 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. HIS 5 0.900 -21.646 23.941 47.463 -99.200 -91.000 PHE 7 1.000 -11.184 27.578 48.137 -99.200 -91.000 PHE 27 1.000 -15.975 14.158 60.598 -99.200 -91.000 TYR 54 0.840 -25.921 15.902 59.106 -99.200 -91.000 PHE 62 1.000 -18.104 14.191 55.513 -99.200 -91.000 PHE 72 1.000 -3.888 22.260 50.030 -99.200 -91.000 HIS 74 0.900 1.824 18.497 44.104 -99.200 -91.000 TYR 96 0.840 -10.360 2.589 45.223 -99.200 -91.000 PHE 105 1.000 1.196 -1.258 49.491 -99.200 -91.000 HIS 109 0.900 2.664 -5.906 50.247 -99.200 -91.000 PHE 113 1.000 6.573 -2.563 48.320 -99.200 -91.000 TYR 131 0.840 0.263 23.393 45.253 -99.200 -91.000 TYR 137 0.840 -4.273 25.647 54.010 -99.200 -91.000 HIS 139 0.900 -1.397 16.836 57.167 -99.200 -91.000 PHE 160 1.000 -5.183 17.798 53.137 -99.200 -91.000 TRP 176 1.040 3.581 10.273 63.139 -99.200 -91.000 TRP6 176 1.020 2.422 8.863 64.632 -99.200 -91.000 TYR 184 0.840 7.273 27.893 71.791 -99.200 -91.000 PHE 187 1.000 1.277 22.526 66.080 -99.200 -91.000 TRP 194 1.040 9.866 16.076 64.735 -99.200 -91.000 TRP6 194 1.020 11.875 16.359 65.955 -99.200 -91.000 TYR 196 0.840 9.494 13.717 54.026 -99.200 -91.000 TRP 201 1.040 12.640 5.251 62.410 -99.200 -91.000 TRP6 201 1.020 10.905 3.971 63.378 -99.200 -91.000 TYR 206 0.840 9.659 -2.480 53.933 -99.200 -91.000 TYR 211 0.840 9.707 8.746 68.900 -99.200 -91.000 TRP 212 1.040 10.136 0.638 68.252 -99.200 -91.000 TRP6 212 1.020 11.935 2.011 68.969 -99.200 -91.000 TYR 227 0.840 18.672 9.652 74.790 -99.200 -91.000 TYR 240 0.840 19.614 7.382 61.607 -99.200 -91.000 TRP 247 1.040 13.357 13.152 63.031 -99.200 -91.000 TRP6 247 1.020 14.175 10.949 63.063 -99.200 -91.000 PHE 257 1.000 7.832 19.500 53.889 -99.200 -91.000