============================================================================= 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. PHE 9 1.000 -2.493 9.504 17.947 -99.200 -91.000 TYR 25 0.840 3.768 6.459 33.387 -99.200 -91.000 TRP 41 1.040 8.602 6.101 18.672 -99.200 -91.000 TRP6 41 1.020 7.177 7.774 19.546 -99.200 -91.000 PHE 46 1.000 12.597 -5.321 3.193 -99.200 -91.000 TRP 64 1.040 22.942 10.132 14.267 -99.200 -91.000 TRP6 64 1.020 24.634 8.512 14.199 -99.200 -91.000 HIS 70 0.900 19.106 -9.028 19.580 -99.200 -91.000 TYR 74 0.840 24.000 -14.388 19.266 -99.200 -91.000 TRP 76 1.040 21.896 -18.118 17.022 -99.200 -91.000 TRP6 76 1.020 20.195 -16.751 17.901 -99.200 -91.000 PHE 80 1.000 22.367 -9.433 8.164 -99.200 -91.000 HIS 92 0.900 -0.995 0.795 10.425 -99.200 -91.000 TYR 97 0.840 7.343 1.608 -1.912 -99.200 -91.000 TYR 111 0.840 29.302 4.947 13.923 -99.200 -91.000 HIS 113 0.900 28.987 -0.144 24.761 -99.200 -91.000 TYR 116 0.840 26.267 -7.641 21.122 -99.200 -91.000 TRP 118 1.040 29.978 -11.234 20.233 -99.200 -91.000 TRP6 118 1.020 30.841 -13.383 19.805 -99.200 -91.000 PHE 137 1.000 12.140 13.976 11.625 -99.200 -91.000 TYR 140 0.840 1.218 9.197 7.804 -99.200 -91.000 HIS 142 0.900 8.036 14.333 15.610 -99.200 -91.000 TYR 159 0.840 5.838 4.420 37.807 -99.200 -91.000 TRP 166 1.040 5.478 -3.737 11.065 -99.200 -91.000 TRP6 166 1.020 7.011 -1.950 11.128 -99.200 -91.000 PHE 204 1.000 13.659 -1.654 31.019 -99.200 -91.000 TYR 208 0.840 0.399 -7.026 32.293 -99.200 -91.000 PHE 227 1.000 9.396 -0.669 28.443 -99.200 -91.000 PHE 233 1.000 6.972 14.508 36.223 -99.200 -91.000 TRP 237 1.040 4.384 9.262 23.479 -99.200 -91.000 TRP6 237 1.020 3.517 7.332 24.526 -99.200 -91.000 TYR 238 0.840 10.958 11.809 27.599 -99.200 -91.000 TRP 245 1.040 18.622 -10.813 27.598 -99.200 -91.000 TRP6 245 1.020 17.959 -12.325 29.258 -99.200 -91.000 TYR 255 0.840 8.465 -11.815 35.032 -99.200 -91.000 PHE 257 1.000 15.505 -10.316 31.961 -99.200 -91.000 TYR 258 0.840 11.733 -4.920 27.264 -99.200 -91.000 HIS 260 0.900 18.597 1.884 32.533 -99.200 -91.000 PHE 262 1.000 20.031 8.205 32.232 -99.200 -91.000 TRP 267 1.040 28.906 3.764 22.513 -99.200 -91.000 TRP6 267 1.020 27.034 3.038 21.288 -99.200 -91.000 PHE 275 1.000 32.577 8.312 15.607 -99.200 -91.000