============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 13 0.840 -23.269 123.038 -7.838 -99.200 -91.000 PHE 31 1.000 -9.284 105.776 5.943 -99.200 -91.000 TYR 32 0.840 -13.269 113.690 5.068 -99.200 -91.000 TYR 37 0.840 -23.736 114.872 7.186 -99.200 -91.000 HIS 42 0.900 -25.536 114.756 -6.068 -99.200 -91.000 TYR 45 0.840 -19.839 113.648 -11.484 -99.200 -91.000 PHE 50 1.000 -24.077 125.788 -12.916 -99.200 -91.000 HIS 54 0.900 -23.867 127.252 -17.266 -99.200 -91.000 TYR 55 0.840 -14.846 125.078 -22.511 -99.200 -91.000 PHE 56 1.000 -17.035 120.328 -23.179 -99.200 -91.000 TRP 68 1.040 -23.520 115.129 -24.376 -99.200 -91.000 TRP6 68 1.020 -22.977 117.251 -23.508 -99.200 -91.000 TYR 69 0.840 -21.402 116.022 -18.469 -99.200 -91.000 PHE 84 1.000 -15.975 113.989 -16.516 -99.200 -91.000 TYR 88 0.840 -18.104 108.056 -13.783 -99.200 -91.000 HIS 92 0.900 -21.744 109.417 -10.541 -99.200 -91.000 TYR 96 0.840 -24.173 103.297 -5.781 -99.200 -91.000 PHE 109 1.000 -13.741 117.403 -2.560 -99.200 -91.000 TRP 118 1.040 -9.011 122.680 -19.829 -99.200 -91.000 TRP6 118 1.020 -10.995 121.917 -20.859 -99.200 -91.000