============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 32 0.840 57.999 2.614 62.985 -99.200 -91.000 PHE 42 1.000 56.154 -0.444 69.640 -99.200 -91.000 PHE 51 1.000 51.264 -1.124 79.599 -99.200 -91.000 TYR 53 0.840 51.281 4.631 76.639 -99.200 -91.000 TYR 76 0.840 31.319 12.269 72.307 -99.200 -91.000 TYR 83 0.840 34.081 5.767 61.671 -99.200 -91.000 TYR 97 0.840 26.281 13.729 75.696 -99.200 -91.000 PHE 105 1.000 28.328 19.495 74.867 -99.200 -91.000 PHE 109 1.000 39.021 10.731 68.185 -99.200 -91.000 TYR 116 0.840 53.492 7.410 62.482 -99.200 -91.000 TYR 122 0.840 36.492 17.800 72.250 -99.200 -91.000 PHE 137 1.000 39.510 15.307 80.006 -99.200 -91.000 PHE 147 1.000 66.402 5.940 75.750 -99.200 -91.000 TYR 152 0.840 56.525 20.131 82.457 -99.200 -91.000 TYR 159 0.840 62.411 16.905 77.268 -99.200 -91.000 TYR 162 0.840 56.560 15.319 87.644 -99.200 -91.000 PHE 164 1.000 55.488 6.698 83.521 -99.200 -91.000 TRP 181 1.040 55.472 19.760 73.615 -99.200 -91.000 TRP6 181 1.020 56.745 18.083 74.706 -99.200 -91.000 TYR 187 0.840 64.790 3.090 69.364 -99.200 -91.000 PHE 188 1.000 57.930 2.943 68.356 -99.200 -91.000 TRP 192 1.040 46.260 13.998 75.019 -99.200 -91.000 TRP6 192 1.020 44.710 13.971 73.211 -99.200 -91.000 HIS 195 0.900 47.074 22.450 67.943 -99.200 -91.000 PHE 202 1.000 50.689 22.418 79.677 -99.200 -91.000 TYR 203 0.840 46.148 16.737 84.677 -99.200 -91.000 TYR 216 0.840 45.116 19.744 76.697 -99.200 -91.000 TRP 235 1.040 54.057 11.777 67.633 -99.200 -91.000 TRP6 235 1.020 54.503 12.673 65.503 -99.200 -91.000 HIS 249 0.900 61.295 24.382 72.576 -99.200 -91.000 HIS 256 0.900 69.400 15.140 69.079 -99.200 -91.000