============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 6 0.840 -17.419 42.663 -1.343 -99.200 -91.000 PHE 21 1.000 -15.800 44.995 14.518 -99.200 -91.000 PHE 33 1.000 -14.932 31.731 -0.048 -99.200 -91.000 TRP 94 1.040 0.136 47.328 0.704 -99.200 -91.000 TRP6 94 1.020 1.649 46.025 1.954 -99.200 -91.000 TYR 95 0.840 -2.404 49.472 7.420 -99.200 -91.000 TYR 105 0.840 7.687 21.345 5.575 -99.200 -91.000 PHE 115 1.000 19.645 24.838 4.304 -99.200 -91.000 TYR 117 0.840 15.192 31.289 2.726 -99.200 -91.000 TRP 125 1.040 22.100 20.365 1.359 -99.200 -91.000 TRP6 125 1.020 21.601 18.934 3.184 -99.200 -91.000 HIS 136 0.900 2.035 27.353 -4.957 -99.200 -91.000 TYR 138 0.840 2.278 28.418 -0.830 -99.200 -91.000 HIS 149 0.900 17.119 40.049 0.921 -99.200 -91.000 TRP 158 1.040 19.206 28.994 -3.971 -99.200 -91.000 TRP6 158 1.020 16.854 28.863 -4.136 -99.200 -91.000 TYR 194 0.840 0.237 27.873 5.437 -99.200 -91.000 TYR 195 0.840 0.731 24.171 3.531 -99.200 -91.000 HIS 198 0.900 -3.480 23.646 8.941 -99.200 -91.000 TRP 211 1.040 2.485 12.074 5.546 -99.200 -91.000 TRP6 211 1.020 1.497 13.173 3.714 -99.200 -91.000 PHE 222 1.000 16.240 35.653 1.207 -99.200 -91.000 HIS 227 0.900 9.691 34.545 0.965 -99.200 -91.000 HIS 238 0.900 -15.449 54.324 -5.341 -99.200 -91.000 TYR 251 0.840 -11.864 42.289 16.340 -99.200 -91.000 TYR 261 0.840 -6.099 36.983 10.159 -99.200 -91.000 TYR 266 0.840 -2.749 24.948 13.501 -99.200 -91.000 TYR 268 0.840 5.574 34.380 14.562 -99.200 -91.000 PHE 283 1.000 6.908 25.345 13.431 -99.200 -91.000 TYR 299 0.840 13.523 43.104 -7.712 -99.200 -91.000 PHE 312 1.000 13.188 24.659 -9.194 -99.200 -91.000