============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 2 0.840 32.714 23.166 6.109 -99.200 -91.000 TYR 6 0.840 16.775 21.802 3.743 -99.200 -91.000 PHE 7 1.000 13.728 19.565 -0.060 -99.200 -91.000 TRP 27 1.040 26.799 27.710 3.681 -99.200 -91.000 TRP6 27 1.020 27.024 29.464 5.268 -99.200 -91.000 TRP 37 1.040 12.364 15.798 -2.887 -99.200 -91.000 TRP6 37 1.020 14.544 14.997 -2.370 -99.200 -91.000 TYR 48 0.840 19.835 7.054 6.507 -99.200 -91.000 PHE 54 1.000 28.137 20.068 5.579 -99.200 -91.000 TYR 62 0.840 23.055 11.696 1.888 -99.200 -91.000 HIS 70 0.900 32.212 16.381 9.717 -99.200 -91.000 TYR 78 0.840 29.874 16.490 20.088 -99.200 -91.000 TYR 102 0.840 8.104 24.305 13.995 -99.200 -91.000 TYR 107 0.840 6.673 20.402 6.631 -99.200 -91.000 TYR 110 0.840 -0.271 26.090 11.428 -99.200 -91.000 TYR 117 0.840 3.857 22.317 19.013 -99.200 -91.000 PHE 128 1.000 15.247 22.329 25.403 -99.200 -91.000 PHE 141 1.000 28.417 30.418 24.931 -99.200 -91.000 PHE 149 1.000 26.242 19.130 18.479 -99.200 -91.000 TYR 152 0.840 26.237 28.132 16.621 -99.200 -91.000 HIS 161 0.900 8.921 25.612 18.988 -99.200 -91.000 PHE 172 1.000 9.422 28.967 30.088 -99.200 -91.000 TYR 178 0.840 20.835 30.061 24.799 -99.200 -91.000 PHE 191 1.000 22.745 32.858 8.150 -99.200 -91.000 TYR 197 0.840 17.195 33.433 9.659 -99.200 -91.000