============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 8 1.040 29.005 78.701 25.166 -99.200 -91.000 TRP6 8 1.020 30.204 78.880 23.103 -99.200 -91.000 TYR 59 0.840 21.126 90.487 34.492 -99.200 -91.000 TYR 66 0.840 29.878 99.048 15.834 -99.200 -91.000 PHE 80 1.000 31.244 90.660 11.883 -99.200 -91.000 HIS 87 0.900 34.943 95.068 22.771 -99.200 -91.000 TRP 113 1.040 8.864 91.975 -3.495 -99.200 -91.000 TRP6 113 1.020 8.417 91.981 -5.817 -99.200 -91.000 PHE 117 1.000 19.446 89.430 -1.219 -99.200 -91.000 TYR 132 0.840 35.349 79.930 8.615 -99.200 -91.000 HIS 144 0.900 26.010 76.926 18.299 -99.200 -91.000 HIS 154 0.900 11.683 75.288 8.633 -99.200 -91.000 HIS 163 0.900 1.911 84.345 -0.255 -99.200 -91.000 PHE 164 1.000 10.929 88.886 -1.950 -99.200 -91.000 TYR 165 0.840 9.389 87.129 7.394 -99.200 -91.000 TYR 170 0.840 10.049 77.688 2.076 -99.200 -91.000 HIS 189 0.900 35.631 69.251 15.809 -99.200 -91.000 PHE 204 1.000 2.040 98.489 16.032 -99.200 -91.000 PHE 206 1.000 6.281 94.945 26.187 -99.200 -91.000 HIS 209 0.900 1.314 98.660 27.362 -99.200 -91.000 TYR 224 0.840 18.425 72.222 23.959 -99.200 -91.000 HIS 231 0.900 28.786 65.314 22.640 -99.200 -91.000