============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 16 0.900 82.198 20.800 64.011 -99.200 -91.000 TYR 19 0.840 75.559 16.367 69.973 -99.200 -91.000 TYR 31 0.840 70.676 3.319 72.725 -99.200 -91.000 PHE 34 1.000 72.273 13.004 79.358 -99.200 -91.000 TYR 36 0.840 77.709 14.433 81.332 -99.200 -91.000 TYR 48 0.840 96.223 11.241 77.688 -99.200 -91.000 PHE 65 1.000 79.386 2.467 75.155 -99.200 -91.000 PHE 82 1.000 89.918 7.171 86.941 -99.200 -91.000 TYR 97 0.840 78.370 -7.034 65.278 -99.200 -91.000 TYR 99 0.840 84.012 -2.120 73.558 -99.200 -91.000 TYR 112 0.840 86.901 10.911 68.400 -99.200 -91.000 PHE 116 1.000 87.672 12.624 62.148 -99.200 -91.000 TRP 118 1.040 86.731 14.462 51.048 -99.200 -91.000 TRP6 118 1.020 86.576 13.216 49.040 -99.200 -91.000 PHE 127 1.000 80.083 7.328 67.097 -99.200 -91.000 PHE 131 1.000 75.693 3.263 70.707 -99.200 -91.000 TYR 138 0.840 82.204 -12.800 64.541 -99.200 -91.000 HIS 161 0.900 90.603 -0.552 88.183 -99.200 -91.000 PHE 174 1.000 93.629 15.052 87.020 -99.200 -91.000 TYR 183 0.840 76.652 22.912 77.999 -99.200 -91.000 PHE 184 1.000 80.615 16.402 86.158 -99.200 -91.000 TYR 187 0.840 74.241 18.190 79.858 -99.200 -91.000 PHE 188 1.000 77.714 13.779 89.090 -99.200 -91.000 PHE 189 1.000 76.538 18.121 91.069 -99.200 -91.000 TYR 200 0.840 84.737 14.355 98.238 -99.200 -91.000