============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 30 0.900 17.799 26.144 6.471 -99.200 -91.000 PHE 36 1.000 20.420 29.699 7.979 -99.200 -91.000 TYR 38 0.840 25.842 35.718 10.868 -99.200 -91.000 TRP 39 1.040 21.195 43.878 9.408 -99.200 -91.000 TRP6 39 1.020 21.968 45.421 7.786 -99.200 -91.000 PHE 40 1.000 29.003 40.494 11.205 -99.200 -91.000 TYR 53 0.840 20.938 35.651 17.333 -99.200 -91.000 PHE 66 1.000 22.444 49.410 17.070 -99.200 -91.000 PHE 75 1.000 17.181 39.960 3.878 -99.200 -91.000 PHE 87 1.000 26.679 59.996 14.155 -99.200 -91.000 TYR 90 0.840 25.734 50.627 11.762 -99.200 -91.000 TYR 91 0.840 31.207 46.655 6.056 -99.200 -91.000 HIS 95 0.900 23.901 32.727 8.678 -99.200 -91.000 TYR 98 0.840 29.383 27.055 2.954 -99.200 -91.000 PHE 100 1.000 29.203 31.616 5.500 -99.200 -91.000 PHE 102 1.000 31.253 39.765 5.327 -99.200 -91.000 PHE 120 1.000 43.663 78.229 2.616 -99.200 -91.000 PHE 122 1.000 49.454 74.939 1.198 -99.200 -91.000 PHE 143 1.000 35.598 69.096 1.850 -99.200 -91.000 TYR 144 0.840 27.893 67.566 5.663 -99.200 -91.000 TRP 152 1.040 46.001 68.775 -8.699 -99.200 -91.000 TRP6 152 1.020 47.280 70.553 -7.785 -99.200 -91.000 TYR 177 0.840 33.521 64.377 5.865 -99.200 -91.000 TYR 190 0.840 57.592 73.703 -10.314 -99.200 -91.000 HIS 193 0.900 54.046 72.469 -18.786 -99.200 -91.000 TYR 196 0.840 53.093 74.204 -12.317 -99.200 -91.000 HIS 202 0.900 31.479 71.290 -1.240 -99.200 -91.000 PHE 213 1.000 51.932 77.244 -7.918 -99.200 -91.000