============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 8 1.040 6.953 5.051 26.489 -99.200 -91.000 TRP6 8 1.020 5.163 3.871 25.522 -99.200 -91.000 TYR 14 0.840 12.669 -7.178 24.841 -99.200 -91.000 HIS 41 0.900 24.850 7.119 20.671 -99.200 -91.000 PHE 54 1.000 21.099 4.106 -1.291 -99.200 -91.000 HIS 71 0.900 12.838 10.543 11.392 -99.200 -91.000 HIS 74 0.900 14.406 8.980 18.793 -99.200 -91.000 TYR 91 0.840 20.966 -2.641 27.115 -99.200 -91.000 TRP 100 1.040 23.134 -3.963 6.123 -99.200 -91.000 TRP6 100 1.020 22.279 -5.189 4.298 -99.200 -91.000 TYR 102 0.840 21.401 0.632 2.512 -99.200 -91.000 TYR 112 0.840 14.588 15.585 -3.732 -99.200 -91.000 HIS 122 0.900 22.916 -0.831 -2.741 -99.200 -91.000 TYR 155 0.840 14.754 -5.723 -7.342 -99.200 -91.000 TYR 157 0.840 6.360 -9.296 0.739 -99.200 -91.000 TYR 172 0.840 -9.155 12.181 16.177 -99.200 -91.000 TYR 179 0.840 -0.317 4.433 -0.671 -99.200 -91.000 TYR 201 0.840 0.802 -0.177 26.520 -99.200 -91.000 TYR 206 0.840 1.535 10.669 17.031 -99.200 -91.000 TYR 211 0.840 -8.474 4.216 3.211 -99.200 -91.000 TYR 218 0.840 -7.713 -10.247 13.506 -99.200 -91.000 TYR 235 0.840 16.684 8.977 26.737 -99.200 -91.000 TRP 238 1.040 19.516 14.451 18.721 -99.200 -91.000 TRP6 238 1.020 17.416 13.959 17.704 -99.200 -91.000 TYR 239 0.840 22.444 16.093 15.045 -99.200 -91.000 TYR 243 0.840 21.688 8.146 25.068 -99.200 -91.000 HIS 255 0.900 9.450 1.114 20.032 -99.200 -91.000 TRP 264 1.040 13.701 -13.932 9.222 -99.200 -91.000 TRP6 264 1.020 13.713 -12.270 7.536 -99.200 -91.000 TYR 292 0.840 -10.581 10.291 19.377 -99.200 -91.000 TYR 300 0.840 -11.074 3.492 11.537 -99.200 -91.000 PHE 304 1.000 -3.678 -8.399 10.854 -99.200 -91.000 PHE 306 1.000 2.625 -3.377 22.234 -99.200 -91.000