============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.080 77.545 85.260 -99.200 -91.000 TYR 14 0.840 13.698 85.762 75.135 -99.200 -91.000 TYR 22 0.840 -1.324 93.660 90.580 -99.200 -91.000 HIS 23 0.900 5.024 89.753 86.803 -99.200 -91.000 PHE 24 1.000 -1.211 92.156 84.248 -99.200 -91.000 TRP 34 1.040 3.562 96.087 66.992 -99.200 -91.000 TRP6 34 1.020 1.262 95.844 67.179 -99.200 -91.000 HIS 40 0.900 -6.280 83.963 81.991 -99.200 -91.000 TYR 42 0.840 -8.073 93.658 77.146 -99.200 -91.000 HIS 53 0.900 18.031 89.166 87.581 -99.200 -91.000 PHE 64 1.000 9.650 100.601 85.172 -99.200 -91.000 HIS 73 0.900 -6.655 84.666 66.910 -99.200 -91.000 PHE 76 1.000 -8.970 84.634 75.301 -99.200 -91.000 TRP 121 1.040 10.525 88.554 87.432 -99.200 -91.000 TRP6 121 1.020 10.413 89.279 85.190 -99.200 -91.000 TYR 152 0.840 -4.058 69.363 81.211 -99.200 -91.000 PHE 165 1.000 10.735 68.577 83.084 -99.200 -91.000 TRP 193 1.040 -4.911 75.695 79.141 -99.200 -91.000 TRP6 193 1.020 -5.753 73.564 79.865 -99.200 -91.000 TYR 195 0.840 -6.234 70.047 88.770 -99.200 -91.000 TYR 206 0.840 3.888 76.082 78.449 -99.200 -91.000 TYR 212 0.840 -2.259 81.415 67.121 -99.200 -91.000 TRP 215 1.040 -4.252 87.566 64.327 -99.200 -91.000 TRP6 215 1.020 -3.117 87.778 66.392 -99.200 -91.000