============================================================================= 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 32 0.840 53.519 70.651 99.724 -99.200 -91.000 TRP 35 1.040 45.711 60.757 100.889 -99.200 -91.000 TRP6 35 1.020 45.378 58.720 99.725 -99.200 -91.000 TYR 36 0.840 39.390 65.929 97.691 -99.200 -91.000 PHE 39 1.000 30.892 58.637 103.966 -99.200 -91.000 TYR 49 0.840 45.476 70.901 105.184 -99.200 -91.000 PHE 62 1.000 39.649 59.225 108.776 -99.200 -91.000 TYR 86 0.840 38.222 56.472 102.739 -99.200 -91.000 PHE 87 1.000 38.431 61.610 95.230 -99.200 -91.000 TRP 91 1.040 50.229 71.304 91.851 -99.200 -91.000 TRP6 91 1.020 49.955 71.216 94.199 -99.200 -91.000 TRP 99 1.040 43.032 71.072 90.896 -99.200 -91.000 TRP6 99 1.020 43.938 70.853 93.068 -99.200 -91.000 PHE 101 1.000 41.066 64.991 90.660 -99.200 -91.000 PHE 122 1.000 22.815 31.405 81.868 -99.200 -91.000 PHE 143 1.000 30.761 40.132 93.937 -99.200 -91.000 TYR 144 0.840 30.492 42.278 103.038 -99.200 -91.000 TRP 152 1.040 35.460 36.929 80.061 -99.200 -91.000 TRP6 152 1.020 33.514 35.602 79.844 -99.200 -91.000 TYR 176 0.840 28.837 45.278 97.256 -99.200 -91.000 TYR 181 0.840 26.758 40.932 79.344 -99.200 -91.000 TRP 189 1.040 29.914 28.911 70.445 -99.200 -91.000 TRP6 189 1.020 30.460 28.585 72.721 -99.200 -91.000 HIS 192 0.900 39.166 29.565 69.986 -99.200 -91.000 TYR 195 0.840 35.637 30.951 73.598 -99.200 -91.000 HIS 201 0.900 35.012 37.841 97.134 -99.200 -91.000