============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 -36.452 25.841 3.988 -99.200 -91.000 HIS 15 0.900 -29.301 15.819 0.754 -99.200 -91.000 TRP 20 1.040 -27.283 6.668 5.510 -99.200 -91.000 TRP6 20 1.020 -25.677 7.130 7.178 -99.200 -91.000 PHE 25 1.000 -34.772 13.913 1.595 -99.200 -91.000 PHE 29 1.000 -30.311 22.190 -3.929 -99.200 -91.000 HIS 32 0.900 -22.175 31.624 2.421 -99.200 -91.000 TYR 40 0.840 -33.468 29.918 5.933 -99.200 -91.000 TRP 57 1.040 -41.798 22.514 14.907 -99.200 -91.000 TRP6 57 1.020 -40.665 20.436 14.931 -99.200 -91.000 TYR 68 0.840 -38.985 15.460 13.656 -99.200 -91.000 TRP 94 1.040 -18.996 8.962 19.755 -99.200 -91.000 TRP6 94 1.020 -16.761 9.706 19.484 -99.200 -91.000 PHE 97 1.000 -15.214 14.417 18.166 -99.200 -91.000 HIS 103 0.900 -20.582 23.567 12.242 -99.200 -91.000 TYR 106 0.840 -13.490 22.190 10.140 -99.200 -91.000 TRP 107 1.040 -17.644 28.872 14.177 -99.200 -91.000 TRP6 107 1.020 -18.300 29.324 16.414 -99.200 -91.000 PHE 110 1.000 -15.112 26.443 6.063 -99.200 -91.000 TYR 115 0.840 -11.809 38.966 15.255 -99.200 -91.000 TYR 137 0.840 -11.403 15.955 11.988 -99.200 -91.000 HIS 143 0.900 -15.316 5.468 19.706 -99.200 -91.000 HIS 146 0.900 -9.004 -0.510 19.606 -99.200 -91.000 HIS 147 0.900 -15.438 1.514 20.088 -99.200 -91.000 TRP 149 1.040 -20.965 1.498 11.438 -99.200 -91.000 TRP6 149 1.020 -20.693 2.816 9.482 -99.200 -91.000 TYR 161 0.840 -22.597 17.934 12.817 -99.200 -91.000 TYR 163 0.840 -18.843 12.054 3.972 -99.200 -91.000 TRP 168 1.040 -17.446 21.323 6.135 -99.200 -91.000 TRP6 168 1.020 -18.447 21.576 8.274 -99.200 -91.000 PHE 185 1.000 -16.777 7.762 9.625 -99.200 -91.000 PHE 186 1.000 -13.775 11.549 3.087 -99.200 -91.000