============================================================================= 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 21.117 31.259 58.621 -99.200 -91.000 TYR 36 0.840 18.856 34.077 63.175 -99.200 -91.000 TRP 39 1.040 8.458 31.603 72.270 -99.200 -91.000 TRP6 39 1.020 6.515 30.256 72.144 -99.200 -91.000 HIS 53 0.900 16.086 39.117 71.600 -99.200 -91.000 PHE 75 1.000 12.796 25.948 68.857 -99.200 -91.000 TYR 90 0.840 1.492 34.761 75.938 -99.200 -91.000 TYR 91 0.840 -0.283 35.063 67.305 -99.200 -91.000 HIS 97 0.900 14.793 26.929 57.915 -99.200 -91.000 PHE 98 1.000 12.371 35.631 52.490 -99.200 -91.000 TYR 100 0.840 11.931 36.586 57.955 -99.200 -91.000 PHE 102 1.000 4.088 35.960 62.253 -99.200 -91.000 PHE 122 1.000 -31.661 47.432 78.479 -99.200 -91.000 PHE 139 1.000 -26.777 45.329 76.462 -99.200 -91.000 PHE 143 1.000 -21.129 35.290 80.463 -99.200 -91.000 TYR 144 0.840 -13.979 31.991 84.414 -99.200 -91.000 TRP 152 1.040 -33.387 36.278 72.219 -99.200 -91.000 TRP6 152 1.020 -34.125 38.151 73.470 -99.200 -91.000 TRP 167 1.040 -20.715 35.164 73.249 -99.200 -91.000 TRP6 167 1.020 -21.340 34.769 70.993 -99.200 -91.000 TYR 177 0.840 -14.613 34.992 78.974 -99.200 -91.000 TYR 190 0.840 -42.376 44.643 70.610 -99.200 -91.000 HIS 193 0.900 -45.663 37.107 68.662 -99.200 -91.000 TYR 196 0.840 -41.802 40.195 72.588 -99.200 -91.000 HIS 202 0.900 -22.358 30.854 83.569 -99.200 -91.000 PHE 213 1.000 -40.324 43.195 76.757 -99.200 -91.000