============================================================================= 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 14.614 18.094 14.182 -99.200 -91.000 TRP6 14 1.020 13.181 19.298 15.612 -99.200 -91.000 TRP 35 1.040 19.399 27.787 2.516 -99.200 -91.000 TRP6 35 1.020 21.200 27.671 1.000 -99.200 -91.000 HIS 41 0.900 31.037 11.025 6.289 -99.200 -91.000 PHE 43 1.000 26.900 15.527 -0.204 -99.200 -91.000 TRP 49 1.040 28.878 15.842 -8.215 -99.200 -91.000 TRP6 49 1.020 29.247 16.231 -5.919 -99.200 -91.000 HIS 59 0.900 8.046 6.500 11.394 -99.200 -91.000 HIS 64 0.900 6.735 5.588 -0.991 -99.200 -91.000 TYR 82 0.840 35.357 16.471 3.679 -99.200 -91.000 HIS 89 0.900 37.458 22.410 8.921 -99.200 -91.000 HIS 97 0.900 14.613 23.187 -8.983 -99.200 -91.000 HIS 105 0.900 3.011 14.163 10.373 -99.200 -91.000 PHE 116 1.000 21.013 29.218 23.061 -99.200 -91.000 PHE 123 1.000 29.460 24.546 29.128 -99.200 -91.000 PHE 126 1.000 22.030 12.202 29.019 -99.200 -91.000 TRP 132 1.040 15.316 6.176 8.138 -99.200 -91.000 TRP6 132 1.020 15.389 8.500 7.771 -99.200 -91.000 TYR 173 0.840 37.610 24.155 13.080 -99.200 -91.000 PHE 175 1.000 29.489 17.639 19.924 -99.200 -91.000 TYR 179 0.840 25.521 6.261 26.818 -99.200 -91.000 HIS 195 0.900 24.798 16.485 19.638 -99.200 -91.000 HIS 198 0.900 13.583 20.243 24.782 -99.200 -91.000 TYR 199 0.840 18.836 26.461 27.460 -99.200 -91.000 TRP 203 1.040 13.551 19.547 20.865 -99.200 -91.000 TRP6 203 1.020 14.777 17.753 21.772 -99.200 -91.000 TYR 204 0.840 17.817 26.573 20.427 -99.200 -91.000 TRP 211 1.040 35.458 11.749 13.266 -99.200 -91.000 TRP6 211 1.020 37.225 10.694 14.422 -99.200 -91.000 HIS 220 0.900 37.929 3.566 20.445 -99.200 -91.000 PHE 221 1.000 33.314 8.410 25.217 -99.200 -91.000 TYR 224 0.840 27.494 12.848 17.293 -99.200 -91.000 TYR 230 0.840 32.272 24.043 10.768 -99.200 -91.000 TRP 233 1.040 31.701 28.004 5.592 -99.200 -91.000 TRP6 233 1.020 30.707 25.975 4.899 -99.200 -91.000 PHE 252 1.000 35.489 27.194 8.871 -99.200 -91.000