============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 3 0.900 -52.660 138.441 28.468 -99.200 -91.000 PHE 7 1.000 -43.378 136.700 17.663 -99.200 -91.000 PHE 45 1.000 -66.315 149.916 5.766 -99.200 -91.000 PHE 49 1.000 -60.566 150.518 7.339 -99.200 -91.000 TRP 52 1.040 -55.089 149.367 2.787 -99.200 -91.000 TRP6 52 1.020 -55.417 149.937 5.062 -99.200 -91.000 PHE 65 1.000 -70.648 140.894 14.876 -99.200 -91.000 TRP 74 1.040 -57.404 130.582 10.447 -99.200 -91.000 TRP6 74 1.020 -55.994 128.792 11.111 -99.200 -91.000 PHE 99 1.000 -56.412 132.296 21.552 -99.200 -91.000 PHE 111 1.000 -55.747 139.108 19.664 -99.200 -91.000 HIS 149 0.900 -29.142 148.176 8.029 -99.200 -91.000 TYR 156 0.840 -24.715 134.713 4.975 -99.200 -91.000 PHE 168 1.000 -18.283 123.243 11.129 -99.200 -91.000 PHE 177 1.000 -20.801 128.680 11.052 -99.200 -91.000 TRP 178 1.040 -25.263 128.142 14.604 -99.200 -91.000 TRP6 178 1.020 -25.574 129.103 12.468 -99.200 -91.000 PHE 181 1.000 -23.635 134.013 10.911 -99.200 -91.000 PHE 182 1.000 -26.110 134.388 15.230 -99.200 -91.000 PHE 207 1.000 -20.086 127.304 6.305 -99.200 -91.000 HIS 213 0.900 -13.960 116.415 19.378 -99.200 -91.000 TYR 246 0.840 -31.973 122.159 39.951 -99.200 -91.000 PHE 266 1.000 -32.870 118.685 44.475 -99.200 -91.000 HIS 271 0.900 -26.660 111.133 51.418 -99.200 -91.000 PHE 301 1.000 -12.524 127.183 42.877 -99.200 -91.000 PHE 303 1.000 -22.180 126.404 51.872 -99.200 -91.000 HIS 315 0.900 -6.107 110.887 34.764 -99.200 -91.000 PHE 320 1.000 -10.697 122.547 34.892 -99.200 -91.000 TYR 335 0.840 -29.320 142.018 49.551 -99.200 -91.000 HIS 342 0.900 -17.334 151.787 60.120 -99.200 -91.000 TYR 345 0.840 -16.385 149.303 64.471 -99.200 -91.000 TRP 358 1.040 -13.734 126.101 70.193 -99.200 -91.000 TRP6 358 1.020 -15.629 126.912 69.036 -99.200 -91.000 PHE 370 1.000 -18.654 130.714 64.137 -99.200 -91.000 TYR 371 0.840 -20.265 130.880 54.584 -99.200 -91.000 PHE 387 1.000 -10.684 127.850 74.296 -99.200 -91.000 HIS 410 0.900 -29.162 143.396 67.878 -99.200 -91.000 TRP 443 1.040 -29.334 147.807 52.306 -99.200 -91.000 TRP6 443 1.020 -30.335 146.888 50.372 -99.200 -91.000 PHE 444 1.000 -34.020 142.742 51.181 -99.200 -91.000 HIS 447 0.900 -36.509 141.488 60.172 -99.200 -91.000