============================================================================= 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 8.506 6.137 18.488 -99.200 -91.000 TRP6 14 1.020 7.149 7.912 19.301 -99.200 -91.000 PHE 19 1.000 12.647 -5.300 3.370 -99.200 -91.000 TRP 37 1.040 22.876 10.383 14.446 -99.200 -91.000 TRP6 37 1.020 24.741 8.970 14.289 -99.200 -91.000 HIS 43 0.900 19.060 -9.084 19.398 -99.200 -91.000 TYR 47 0.840 23.826 -14.392 18.988 -99.200 -91.000 TRP 49 1.040 22.079 -18.173 16.500 -99.200 -91.000 TRP6 49 1.020 20.227 -16.846 17.100 -99.200 -91.000 PHE 53 1.000 22.361 -9.434 8.472 -99.200 -91.000 HIS 65 0.900 -1.086 0.662 10.249 -99.200 -91.000 TYR 70 0.840 7.451 1.773 -1.955 -99.200 -91.000 TYR 84 0.840 29.349 5.098 14.022 -99.200 -91.000 HIS 86 0.900 29.153 -0.163 25.022 -99.200 -91.000 TYR 89 0.840 26.311 -7.399 21.073 -99.200 -91.000 TRP 91 1.040 30.138 -11.152 20.295 -99.200 -91.000 TRP6 91 1.020 30.985 -13.363 20.099 -99.200 -91.000 PHE 110 1.000 12.008 14.644 11.726 -99.200 -91.000 TYR 113 0.840 1.210 9.397 7.430 -99.200 -91.000 HIS 115 0.900 7.786 14.628 15.572 -99.200 -91.000 TYR 132 0.840 5.562 4.313 37.850 -99.200 -91.000 TRP 139 1.040 5.371 -3.802 11.096 -99.200 -91.000 TRP6 139 1.020 6.873 -1.987 11.333 -99.200 -91.000 PHE 177 1.000 13.804 -1.519 30.809 -99.200 -91.000 TYR 181 0.840 0.201 -7.113 32.091 -99.200 -91.000 PHE 200 1.000 9.144 -0.714 28.266 -99.200 -91.000 PHE 206 1.000 6.845 14.174 36.156 -99.200 -91.000 TRP 210 1.040 4.140 9.214 23.458 -99.200 -91.000 TRP6 210 1.020 3.371 7.156 24.355 -99.200 -91.000 TYR 211 0.840 11.222 11.958 27.647 -99.200 -91.000 TRP 218 1.040 18.387 -10.792 27.183 -99.200 -91.000 TRP6 218 1.020 17.812 -12.287 28.910 -99.200 -91.000 TYR 228 0.840 8.484 -11.802 34.593 -99.200 -91.000 PHE 230 1.000 15.267 -10.493 31.608 -99.200 -91.000 TYR 231 0.840 11.774 -4.796 26.781 -99.200 -91.000 HIS 233 0.900 18.342 1.619 32.560 -99.200 -91.000 PHE 235 1.000 20.112 8.443 32.319 -99.200 -91.000 TRP 240 1.040 28.684 3.788 22.619 -99.200 -91.000 TRP6 240 1.020 26.953 3.037 21.181 -99.200 -91.000 PHE 248 1.000 32.486 8.403 15.310 -99.200 -91.000