============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.510 6.106 18.341 -99.200 -91.000 TRP6 14 1.020 7.162 7.834 19.193 -99.200 -91.000 PHE 19 1.000 12.482 -5.564 3.276 -99.200 -91.000 TRP 37 1.040 23.005 10.244 14.268 -99.200 -91.000 TRP6 37 1.020 24.742 8.687 14.161 -99.200 -91.000 HIS 43 0.900 19.342 -9.494 19.357 -99.200 -91.000 TYR 47 0.840 24.205 -14.447 18.633 -99.200 -91.000 TRP 49 1.040 22.741 -18.435 16.189 -99.200 -91.000 TRP6 49 1.020 20.754 -17.335 16.692 -99.200 -91.000 PHE 53 1.000 22.532 -9.282 8.435 -99.200 -91.000 HIS 65 0.900 -0.916 0.498 10.487 -99.200 -91.000 TYR 70 0.840 7.456 1.623 -1.942 -99.200 -91.000 TYR 84 0.840 29.137 5.070 14.043 -99.200 -91.000 HIS 86 0.900 29.008 -0.004 24.533 -99.200 -91.000 TYR 89 0.840 26.463 -7.545 20.731 -99.200 -91.000 TRP 91 1.040 30.100 -11.134 20.301 -99.200 -91.000 TRP6 91 1.020 31.109 -13.228 19.986 -99.200 -91.000 PHE 110 1.000 11.862 14.934 11.845 -99.200 -91.000 TYR 113 0.840 1.151 9.207 7.584 -99.200 -91.000 HIS 115 0.900 7.123 14.620 13.829 -99.200 -91.000 TYR 132 0.840 5.801 4.372 37.797 -99.200 -91.000 TRP 139 1.040 5.314 -3.986 11.129 -99.200 -91.000 TRP6 139 1.020 6.873 -2.254 11.262 -99.200 -91.000 PHE 177 1.000 13.785 -1.524 30.580 -99.200 -91.000 TYR 181 0.840 0.508 -7.263 32.209 -99.200 -91.000 PHE 200 1.000 9.306 -0.772 28.194 -99.200 -91.000 PHE 206 1.000 6.701 14.128 35.816 -99.200 -91.000 TRP 210 1.040 4.098 9.070 23.355 -99.200 -91.000 TRP6 210 1.020 3.357 7.058 24.271 -99.200 -91.000 TYR 211 0.840 11.129 12.040 27.564 -99.200 -91.000 TRP 218 1.040 18.377 -10.915 26.957 -99.200 -91.000 TRP6 218 1.020 17.700 -12.417 28.637 -99.200 -91.000 TYR 228 0.840 8.713 -11.878 34.580 -99.200 -91.000 PHE 230 1.000 15.496 -10.397 31.466 -99.200 -91.000 TYR 231 0.840 11.676 -4.934 26.848 -99.200 -91.000 HIS 233 0.900 18.470 1.666 32.425 -99.200 -91.000 PHE 235 1.000 20.231 8.391 32.303 -99.200 -91.000 TRP 240 1.040 28.776 3.822 22.477 -99.200 -91.000 TRP6 240 1.020 27.023 3.142 21.112 -99.200 -91.000 PHE 248 1.000 32.653 8.406 15.237 -99.200 -91.000