============================================================================= 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 21.132 31.541 59.182 -99.200 -91.000 TYR 36 0.840 18.859 34.280 63.625 -99.200 -91.000 TRP 39 1.040 8.434 31.703 72.676 -99.200 -91.000 TRP6 39 1.020 6.483 30.372 72.483 -99.200 -91.000 HIS 53 0.900 16.117 39.288 71.897 -99.200 -91.000 PHE 75 1.000 12.806 26.081 69.300 -99.200 -91.000 TYR 90 0.840 1.387 34.813 76.282 -99.200 -91.000 TYR 91 0.840 -0.256 35.191 67.651 -99.200 -91.000 HIS 97 0.900 14.872 26.916 58.230 -99.200 -91.000 PHE 98 1.000 12.404 35.639 52.702 -99.200 -91.000 TYR 100 0.840 11.960 36.575 58.282 -99.200 -91.000 PHE 102 1.000 4.078 35.999 62.537 -99.200 -91.000 PHE 122 1.000 -31.801 47.503 78.873 -99.200 -91.000 PHE 139 1.000 -26.987 45.347 76.862 -99.200 -91.000 PHE 143 1.000 -21.365 35.486 80.803 -99.200 -91.000 TYR 144 0.840 -14.043 32.054 84.675 -99.200 -91.000 TRP 152 1.040 -33.624 36.389 72.659 -99.200 -91.000 TRP6 152 1.020 -34.368 38.305 73.825 -99.200 -91.000 TRP 167 1.040 -20.829 35.300 73.685 -99.200 -91.000 TRP6 167 1.020 -21.517 34.722 71.496 -99.200 -91.000 TYR 177 0.840 -14.790 35.013 79.349 -99.200 -91.000 TYR 190 0.840 -42.623 44.805 71.066 -99.200 -91.000 HIS 193 0.900 -45.842 37.475 69.002 -99.200 -91.000 TYR 196 0.840 -42.010 40.330 73.083 -99.200 -91.000 HIS 202 0.900 -22.558 30.813 83.983 -99.200 -91.000 PHE 213 1.000 -40.499 43.329 77.243 -99.200 -91.000