============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 110.476 2.103 55.627 -99.200 -91.000 TRP6 14 1.020 110.847 3.740 57.301 -99.200 -91.000 PHE 19 1.000 112.456 -14.700 50.491 -99.200 -91.000 TRP 37 1.040 95.763 -3.481 55.464 -99.200 -91.000 TRP6 37 1.020 94.644 -4.404 53.599 -99.200 -91.000 HIS 43 0.900 106.760 -5.294 38.155 -99.200 -91.000 TYR 47 0.840 104.751 -8.369 32.677 -99.200 -91.000 TRP 49 1.040 108.276 -11.298 31.391 -99.200 -91.000 TRP6 49 1.020 109.387 -9.870 32.911 -99.200 -91.000 PHE 53 1.000 104.160 -15.731 41.623 -99.200 -91.000 HIS 65 0.900 122.103 -5.498 57.657 -99.200 -91.000 TYR 70 0.840 116.086 -17.134 61.704 -99.200 -91.000 TYR 84 0.840 92.199 -6.876 49.233 -99.200 -91.000 HIS 86 0.900 94.073 0.934 40.457 -99.200 -91.000 TYR 89 0.840 99.511 -4.575 36.620 -99.200 -91.000 TRP 91 1.040 97.846 -7.338 32.517 -99.200 -91.000 TRP6 91 1.020 98.000 -8.662 30.565 -99.200 -91.000 PHE 110 1.000 103.848 -1.678 63.995 -99.200 -91.000 TYR 113 0.840 116.546 -4.925 65.220 -99.200 -91.000 HIS 115 0.900 107.821 2.536 63.750 -99.200 -91.000 TYR 132 0.840 112.492 19.527 46.771 -99.200 -91.000 TRP 139 1.040 118.128 -7.858 50.807 -99.200 -91.000 TRP6 139 1.020 116.250 -7.179 52.071 -99.200 -91.000 TRP 146 1.040 121.007 -7.625 29.641 -99.200 -91.000 TRP6 146 1.020 118.700 -7.775 29.162 -99.200 -91.000 PHE 179 1.000 108.349 9.172 41.859 -99.200 -91.000 TYR 183 0.840 122.566 11.465 41.409 -99.200 -91.000 PHE 202 1.000 112.099 8.276 45.171 -99.200 -91.000 PHE 208 1.000 108.089 21.392 54.928 -99.200 -91.000 TRP 212 1.040 112.972 8.440 57.318 -99.200 -91.000 TRP6 212 1.020 114.454 8.734 55.502 -99.200 -91.000 TYR 213 0.840 105.251 11.829 55.366 -99.200 -91.000 TRP 220 1.040 107.855 1.580 34.166 -99.200 -91.000 TRP6 220 1.020 108.813 2.653 32.284 -99.200 -91.000 TYR 230 0.840 116.825 10.316 33.553 -99.200 -91.000 PHE 232 1.000 109.817 6.334 33.670 -99.200 -91.000 TYR 233 0.840 111.692 4.845 41.497 -99.200 -91.000 HIS 235 0.900 102.505 10.818 42.101 -99.200 -91.000 PHE 237 1.000 98.541 13.193 47.315 -99.200 -91.000 TRP 242 1.040 92.844 0.543 44.671 -99.200 -91.000 TRP6 242 1.020 94.823 -0.625 45.232 -99.200 -91.000 PHE 250 1.000 87.669 -5.454 50.344 -99.200 -91.000