============================================================================= 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 60.088 -1.382 18.285 -99.200 -91.000 TYR 14 0.840 55.589 11.053 21.280 -99.200 -91.000 TYR 22 0.840 50.795 2.302 41.894 -99.200 -91.000 HIS 23 0.900 53.583 3.330 33.997 -99.200 -91.000 PHE 24 1.000 48.338 6.522 37.781 -99.200 -91.000 TRP 34 1.040 47.656 22.836 29.678 -99.200 -91.000 TRP6 34 1.020 45.714 22.287 30.872 -99.200 -91.000 HIS 40 0.900 41.240 3.499 31.224 -99.200 -91.000 TYR 42 0.840 40.510 12.065 38.817 -99.200 -91.000 PHE 64 1.000 61.066 11.601 38.929 -99.200 -91.000 HIS 73 0.900 34.470 15.033 26.945 -99.200 -91.000 TYR 76 0.840 35.445 8.095 31.811 -99.200 -91.000 TRP 121 1.040 58.134 2.658 30.878 -99.200 -91.000 TRP6 121 1.020 57.564 4.895 30.395 -99.200 -91.000 TYR 131 0.840 52.501 -4.784 34.922 -99.200 -91.000 TYR 152 0.840 36.844 -5.151 20.750 -99.200 -91.000 PHE 161 1.000 42.525 5.096 16.538 -99.200 -91.000 TYR 165 0.840 50.056 -5.905 14.007 -99.200 -91.000 TRP 193 1.040 37.562 0.227 25.000 -99.200 -91.000 TRP6 193 1.020 36.375 -1.626 24.169 -99.200 -91.000 TYR 206 0.840 44.814 1.834 20.455 -99.200 -91.000 TYR 212 0.840 37.212 13.214 22.253 -99.200 -91.000 TRP 215 1.040 36.616 19.288 25.998 -99.200 -91.000 TRP6 215 1.020 38.194 17.909 27.081 -99.200 -91.000