============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 11 0.840 42.416 31.098 123.571 -99.200 -91.000 TYR 16 0.840 37.005 43.581 123.405 -99.200 -91.000 TYR 18 0.840 45.566 47.172 125.932 -99.200 -91.000 HIS 33 0.900 38.849 66.077 137.799 -99.200 -91.000 PHE 75 1.000 46.959 54.479 138.164 -99.200 -91.000 PHE 98 1.000 38.562 58.633 114.987 -99.200 -91.000 PHE 102 1.000 33.125 55.065 112.731 -99.200 -91.000 TRP 103 1.040 32.485 48.715 120.862 -99.200 -91.000 TRP6 103 1.020 34.708 49.294 121.397 -99.200 -91.000 HIS 106 0.900 30.368 42.058 117.974 -99.200 -91.000 PHE 119 1.000 25.022 52.444 108.787 -99.200 -91.000 PHE 123 1.000 23.234 51.214 113.782 -99.200 -91.000 TYR 130 0.840 24.070 56.207 115.744 -99.200 -91.000 PHE 131 1.000 25.267 60.387 112.643 -99.200 -91.000 TYR 141 0.840 29.761 59.835 114.524 -99.200 -91.000 TYR 142 0.840 28.082 68.108 111.293 -99.200 -91.000 HIS 152 0.900 43.207 71.302 109.528 -99.200 -91.000 PHE 161 1.000 50.218 74.067 100.440 -99.200 -91.000 PHE 177 1.000 45.575 71.594 104.691 -99.200 -91.000 HIS 185 0.900 52.721 77.658 103.046 -99.200 -91.000 HIS 202 0.900 33.693 81.215 105.994 -99.200 -91.000 TRP 213 1.040 39.078 84.922 104.162 -99.200 -91.000 TRP6 213 1.020 36.718 84.837 104.064 -99.200 -91.000 PHE 220 1.000 33.754 67.006 96.216 -99.200 -91.000 HIS 226 0.900 43.258 79.205 87.435 -99.200 -91.000 HIS 230 0.900 42.801 73.090 91.244 -99.200 -91.000 HIS 237 0.900 38.635 59.355 103.694 -99.200 -91.000 TRP 239 1.040 33.746 61.377 96.990 -99.200 -91.000 TRP6 239 1.020 31.464 61.680 96.478 -99.200 -91.000 HIS 257 0.900 51.457 78.081 87.224 -99.200 -91.000 HIS 274 0.900 50.566 54.444 107.825 -99.200 -91.000 PHE 280 1.000 38.158 45.912 110.647 -99.200 -91.000 PHE 298 1.000 46.810 61.487 91.699 -99.200 -91.000