============================================================================= 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 20.792 31.532 58.791 -99.200 -91.000 TYR 36 0.840 18.658 34.150 63.213 -99.200 -91.000 TRP 39 1.040 8.323 31.488 72.247 -99.200 -91.000 TRP6 39 1.020 6.377 30.147 72.067 -99.200 -91.000 HIS 53 0.900 15.992 38.957 71.477 -99.200 -91.000 PHE 75 1.000 12.606 25.893 68.850 -99.200 -91.000 TYR 90 0.840 1.326 34.572 75.878 -99.200 -91.000 TYR 91 0.840 -0.475 34.968 67.319 -99.200 -91.000 HIS 97 0.900 14.664 26.777 57.909 -99.200 -91.000 PHE 98 1.000 12.144 35.556 52.224 -99.200 -91.000 TYR 100 0.840 11.945 36.008 57.837 -99.200 -91.000 PHE 102 1.000 3.927 35.847 62.229 -99.200 -91.000 PHE 122 1.000 -31.748 47.251 78.580 -99.200 -91.000 PHE 139 1.000 -26.834 45.053 76.534 -99.200 -91.000 PHE 143 1.000 -21.318 35.169 80.402 -99.200 -91.000 TYR 144 0.840 -14.036 31.856 84.213 -99.200 -91.000 TRP 152 1.040 -33.535 36.184 72.388 -99.200 -91.000 TRP6 152 1.020 -34.294 38.091 73.548 -99.200 -91.000 TRP 167 1.040 -20.796 34.945 73.319 -99.200 -91.000 TRP6 167 1.020 -21.629 34.506 71.142 -99.200 -91.000 TYR 177 0.840 -14.823 34.784 78.903 -99.200 -91.000 TYR 190 0.840 -42.529 44.538 70.766 -99.200 -91.000 HIS 193 0.900 -45.744 37.101 68.780 -99.200 -91.000 TYR 196 0.840 -41.887 40.072 72.680 -99.200 -91.000 HIS 202 0.900 -22.594 30.629 83.525 -99.200 -91.000 PHE 213 1.000 -40.387 42.997 76.910 -99.200 -91.000