============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 14.366 18.459 15.635 -99.200 -91.000 TRP6 14 1.020 12.840 19.414 17.174 -99.200 -91.000 TRP 35 1.040 18.937 28.803 4.346 -99.200 -91.000 TRP6 35 1.020 20.744 28.539 2.839 -99.200 -91.000 HIS 41 0.900 30.602 12.100 7.244 -99.200 -91.000 PHE 43 1.000 26.128 16.721 1.272 -99.200 -91.000 TRP 49 1.040 27.406 17.665 -7.234 -99.200 -91.000 TRP6 49 1.020 27.544 17.989 -4.896 -99.200 -91.000 HIS 59 0.900 8.086 7.012 12.512 -99.200 -91.000 HIS 64 0.900 6.277 6.888 -0.255 -99.200 -91.000 TYR 82 0.840 35.164 18.108 4.521 -99.200 -91.000 HIS 89 0.900 37.252 23.546 10.059 -99.200 -91.000 HIS 97 0.900 14.021 24.729 -7.353 -99.200 -91.000 HIS 105 0.900 2.736 14.698 11.875 -99.200 -91.000 PHE 116 1.000 20.660 29.489 25.222 -99.200 -91.000 PHE 123 1.000 29.433 24.200 30.726 -99.200 -91.000 PHE 126 1.000 22.000 11.871 30.219 -99.200 -91.000 TRP 132 1.040 14.720 6.994 9.187 -99.200 -91.000 TRP6 132 1.020 14.717 9.332 8.872 -99.200 -91.000 TYR 173 0.840 37.133 24.785 14.402 -99.200 -91.000 PHE 175 1.000 29.117 18.071 21.016 -99.200 -91.000 TYR 179 0.840 25.367 6.325 27.435 -99.200 -91.000 HIS 195 0.900 24.453 16.630 21.018 -99.200 -91.000 HIS 198 0.900 13.361 20.433 26.398 -99.200 -91.000 TYR 199 0.840 18.493 26.617 29.613 -99.200 -91.000 TRP 203 1.040 13.231 19.863 22.451 -99.200 -91.000 TRP6 203 1.020 14.611 18.111 23.234 -99.200 -91.000 TYR 204 0.840 17.481 26.754 22.274 -99.200 -91.000 TRP 211 1.040 35.150 12.273 13.896 -99.200 -91.000 TRP6 211 1.020 36.768 11.123 15.170 -99.200 -91.000 HIS 220 0.900 37.844 3.902 21.024 -99.200 -91.000 PHE 221 1.000 33.300 8.550 26.038 -99.200 -91.000 TYR 224 0.840 27.470 13.148 18.508 -99.200 -91.000 TYR 230 0.840 31.914 24.840 12.198 -99.200 -91.000 TRP 233 1.040 31.208 29.522 7.289 -99.200 -91.000 TRP6 233 1.020 30.115 27.529 6.632 -99.200 -91.000 PHE 252 1.000 34.965 28.296 10.164 -99.200 -91.000