============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 7 1.040 9.489 44.782 54.442 -99.200 -91.000 TRP6 7 1.020 9.182 43.448 56.375 -99.200 -91.000 TRP 9 1.040 0.901 40.925 50.529 -99.200 -91.000 TRP6 9 1.020 -0.330 39.704 52.139 -99.200 -91.000 TYR 23 0.840 8.103 18.575 56.329 -99.200 -91.000 PHE 24 1.000 9.515 20.464 50.340 -99.200 -91.000 PHE 39 1.000 11.223 11.579 41.525 -99.200 -91.000 TYR 40 0.840 12.988 13.361 49.983 -99.200 -91.000 PHE 51 1.000 15.675 31.656 52.754 -99.200 -91.000 TYR 54 0.840 8.921 35.468 47.091 -99.200 -91.000 TYR 61 0.840 9.348 47.267 50.098 -99.200 -91.000 TYR 63 0.840 7.655 43.246 43.196 -99.200 -91.000 TRP 64 1.040 15.440 42.175 35.726 -99.200 -91.000 TRP6 64 1.020 15.784 44.227 34.588 -99.200 -91.000 TYR 67 0.840 9.005 38.589 34.924 -99.200 -91.000 TRP 70 1.040 8.179 33.358 38.794 -99.200 -91.000 TRP6 70 1.020 6.826 35.083 37.884 -99.200 -91.000 PHE 72 1.000 18.818 30.580 37.654 -99.200 -91.000 TYR 115 0.840 -1.938 49.414 27.171 -99.200 -91.000 TYR 117 0.840 5.426 44.967 20.063 -99.200 -91.000 PHE 119 1.000 -2.602 43.937 27.226 -99.200 -91.000 TRP 121 1.040 6.977 41.631 23.532 -99.200 -91.000 TRP6 121 1.020 8.408 40.275 22.231 -99.200 -91.000 TRP 122 1.040 -0.804 37.764 28.924 -99.200 -91.000 TRP6 122 1.020 -2.635 37.009 27.621 -99.200 -91.000 TYR 131 0.840 5.277 22.225 23.153 -99.200 -91.000 TYR 134 0.840 -1.664 19.050 23.173 -99.200 -91.000 PHE 137 1.000 -5.449 17.175 31.488 -99.200 -91.000 PHE 138 1.000 -5.107 16.954 26.301 -99.200 -91.000 PHE 140 1.000 5.836 14.977 30.616 -99.200 -91.000 PHE 155 1.000 1.657 13.235 35.009 -99.200 -91.000 TRP 166 1.040 3.310 25.786 36.545 -99.200 -91.000 TRP6 166 1.020 5.133 25.561 35.054 -99.200 -91.000 TYR 169 0.840 2.667 31.773 38.532 -99.200 -91.000 TRP 173 1.040 2.805 39.646 33.115 -99.200 -91.000 TRP6 173 1.020 2.289 40.864 31.148 -99.200 -91.000 PHE 192 1.000 2.478 37.537 39.575 -99.200 -91.000 PHE 203 1.000 5.427 19.722 41.561 -99.200 -91.000 PHE 214 1.000 10.817 5.854 48.878 -99.200 -91.000