============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 17.888 25.076 5.814 -99.200 -91.000 TYR 14 0.840 18.384 38.065 9.734 -99.200 -91.000 TYR 22 0.840 11.025 27.585 31.245 -99.200 -91.000 HIS 23 0.900 12.390 30.969 21.645 -99.200 -91.000 PHE 24 1.000 8.155 35.798 25.083 -99.200 -91.000 TRP 34 1.040 15.074 51.437 18.746 -99.200 -91.000 TRP6 34 1.020 12.908 51.694 19.660 -99.200 -91.000 HIS 40 0.900 1.500 36.567 18.018 -99.200 -91.000 TYR 42 0.840 2.909 43.917 26.584 -99.200 -91.000 HIS 53 0.900 23.518 27.060 15.719 -99.200 -91.000 PHE 64 1.000 21.587 35.469 27.763 -99.200 -91.000 HIS 73 0.900 0.345 49.793 13.834 -99.200 -91.000 PHE 76 1.000 -1.982 42.668 18.200 -99.200 -91.000 TRP 121 1.040 16.505 28.726 18.614 -99.200 -91.000 TRP6 121 1.020 16.977 31.029 18.340 -99.200 -91.000 TYR 152 0.840 -4.752 30.920 6.585 -99.200 -91.000 PHE 165 1.000 7.230 25.565 0.541 -99.200 -91.000 TRP 193 1.040 -2.565 35.329 11.346 -99.200 -91.000 TRP6 193 1.020 -4.370 34.283 10.226 -99.200 -91.000 TYR 195 0.840 -7.159 29.318 10.298 -99.200 -91.000 TYR 206 0.840 5.183 33.819 7.713 -99.200 -91.000 TYR 212 0.840 2.510 47.348 9.672 -99.200 -91.000 TRP 215 1.040 4.186 52.499 14.185 -99.200 -91.000 TRP6 215 1.020 5.020 50.492 15.112 -99.200 -91.000