============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.585 7.104 18.283 -99.200 -91.000 TRP6 14 1.020 7.365 9.015 18.983 -99.200 -91.000 PHE 19 1.000 12.801 -4.496 2.837 -99.200 -91.000 TRP 37 1.040 23.199 11.028 13.989 -99.200 -91.000 TRP6 37 1.020 24.997 9.497 13.910 -99.200 -91.000 HIS 43 0.900 19.368 -7.986 19.224 -99.200 -91.000 TYR 47 0.840 24.062 -13.398 18.905 -99.200 -91.000 TRP 49 1.040 22.171 -17.170 16.570 -99.200 -91.000 TRP6 49 1.020 20.092 -16.137 17.007 -99.200 -91.000 PHE 53 1.000 22.441 -8.345 8.432 -99.200 -91.000 HIS 65 0.900 -0.779 1.422 10.196 -99.200 -91.000 TYR 70 0.840 7.271 2.638 -2.130 -99.200 -91.000 TYR 84 0.840 29.264 5.902 13.532 -99.200 -91.000 HIS 86 0.900 29.079 0.788 24.342 -99.200 -91.000 TYR 89 0.840 26.573 -6.564 20.829 -99.200 -91.000 TRP 91 1.040 30.231 -10.131 20.056 -99.200 -91.000 TRP6 91 1.020 31.219 -12.247 19.690 -99.200 -91.000 PHE 110 1.000 12.319 15.399 11.566 -99.200 -91.000 TYR 113 0.840 1.318 10.031 7.356 -99.200 -91.000 HIS 115 0.900 8.054 15.170 15.253 -99.200 -91.000 TYR 132 0.840 6.046 5.411 37.377 -99.200 -91.000 TRP 139 1.040 5.589 -3.018 10.754 -99.200 -91.000 TRP6 139 1.020 7.064 -1.212 11.018 -99.200 -91.000 PHE 177 1.000 13.902 -0.808 30.549 -99.200 -91.000 TYR 181 0.840 0.610 -6.410 31.815 -99.200 -91.000 PHE 200 1.000 9.468 -0.010 28.004 -99.200 -91.000 PHE 206 1.000 6.996 14.631 36.163 -99.200 -91.000 TRP 210 1.040 4.505 9.942 23.084 -99.200 -91.000 TRP6 210 1.020 3.723 7.939 24.040 -99.200 -91.000 TYR 211 0.840 11.533 12.555 27.446 -99.200 -91.000 TRP 218 1.040 18.668 -9.929 27.100 -99.200 -91.000 TRP6 218 1.020 18.170 -11.615 28.663 -99.200 -91.000 TYR 228 0.840 8.764 -11.053 34.211 -99.200 -91.000 PHE 230 1.000 15.753 -9.557 31.272 -99.200 -91.000 TYR 231 0.840 11.906 -4.102 26.713 -99.200 -91.000 HIS 233 0.900 18.646 2.576 32.241 -99.200 -91.000 PHE 235 1.000 20.785 9.015 32.197 -99.200 -91.000 TRP 240 1.040 28.956 4.472 22.200 -99.200 -91.000 TRP6 240 1.020 27.121 3.876 20.846 -99.200 -91.000 PHE 248 1.000 32.525 8.964 14.480 -99.200 -91.000