============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 20.957 31.841 59.221 -99.200 -91.000 TYR 36 0.840 18.899 34.330 63.452 -99.200 -91.000 TRP 39 1.040 8.499 31.701 72.516 -99.200 -91.000 TRP6 39 1.020 6.609 30.290 72.253 -99.200 -91.000 HIS 53 0.900 16.139 39.225 71.784 -99.200 -91.000 PHE 75 1.000 12.892 26.000 69.100 -99.200 -91.000 TYR 90 0.840 1.438 34.646 76.044 -99.200 -91.000 TYR 91 0.840 -0.227 34.856 67.337 -99.200 -91.000 HIS 97 0.900 15.013 26.768 58.088 -99.200 -91.000 PHE 98 1.000 12.491 35.355 52.417 -99.200 -91.000 TYR 100 0.840 12.074 36.460 58.164 -99.200 -91.000 PHE 102 1.000 4.101 35.759 62.302 -99.200 -91.000 PHE 122 1.000 -31.676 47.479 78.533 -99.200 -91.000 PHE 139 1.000 -26.728 45.332 76.569 -99.200 -91.000 PHE 143 1.000 -21.199 35.356 80.491 -99.200 -91.000 TYR 144 0.840 -13.971 31.859 84.418 -99.200 -91.000 TRP 152 1.040 -33.478 36.309 72.321 -99.200 -91.000 TRP6 152 1.020 -34.279 38.157 73.568 -99.200 -91.000 TRP 167 1.040 -20.463 34.995 73.658 -99.200 -91.000 TRP6 167 1.020 -21.422 34.440 71.561 -99.200 -91.000 TYR 177 0.840 -14.615 35.094 78.891 -99.200 -91.000 TYR 190 0.840 -42.492 44.686 70.777 -99.200 -91.000 HIS 193 0.900 -45.805 37.133 68.618 -99.200 -91.000 TYR 196 0.840 -41.857 40.225 72.786 -99.200 -91.000 HIS 202 0.900 -22.453 30.752 83.560 -99.200 -91.000 PHE 213 1.000 -40.247 43.158 76.987 -99.200 -91.000