============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 8 1.000 74.605 22.188 -6.049 -99.200 -91.000 TYR 9 0.840 77.256 20.110 -16.184 -99.200 -91.000 TYR 29 0.840 63.220 22.921 -14.238 -99.200 -91.000 HIS 35 0.900 72.168 20.353 -14.503 -99.200 -91.000 TYR 45 0.840 54.900 37.464 -4.542 -99.200 -91.000 TYR 57 0.840 56.988 32.505 -10.173 -99.200 -91.000 HIS 90 0.900 69.537 29.301 -2.768 -99.200 -91.000 PHE 95 1.000 76.520 35.936 11.048 -99.200 -91.000 TYR 158 0.840 82.908 38.010 -0.932 -99.200 -91.000 PHE 159 1.000 74.551 41.897 -2.761 -99.200 -91.000 HIS 165 0.900 85.974 45.363 -4.416 -99.200 -91.000 PHE 169 1.000 84.920 34.903 -5.997 -99.200 -91.000 HIS 179 0.900 88.745 26.944 7.044 -99.200 -91.000 PHE 181 1.000 79.247 27.220 4.802 -99.200 -91.000 TRP 182 1.040 78.419 23.052 -0.424 -99.200 -91.000 TRP6 182 1.020 76.216 22.223 -0.374 -99.200 -91.000 TYR 194 0.840 79.210 31.700 -15.142 -99.200 -91.000 HIS 212 0.900 72.623 33.936 -5.819 -99.200 -91.000 TYR 214 0.840 70.344 37.982 -8.390 -99.200 -91.000