============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 1 0.840 35.152 -86.679 42.561 -99.200 -91.000 PHE 3 1.000 35.777 -85.827 36.599 -99.200 -91.000 PHE 8 1.000 47.465 -81.723 28.104 -99.200 -91.000 TYR 19 0.840 48.309 -76.133 40.779 -99.200 -91.000 TYR 71 0.840 60.951 -88.705 50.652 -99.200 -91.000 TYR 78 0.840 60.841 -92.712 49.383 -99.200 -91.000 HIS 90 0.900 60.962-109.124 44.137 -99.200 -91.000 TYR 93 0.840 64.285-107.530 34.504 -99.200 -91.000 TYR 97 0.840 63.390-110.980 31.309 -99.200 -91.000 TYR 100 0.840 66.740-108.844 42.839 -99.200 -91.000 PHE 126 1.000 52.046 -91.757 43.286 -99.200 -91.000 HIS 135 0.900 76.980-102.383 38.825 -99.200 -91.000 PHE 138 1.000 75.309-107.152 29.707 -99.200 -91.000 PHE 141 1.000 78.953 -98.258 40.207 -99.200 -91.000 TYR 144 0.840 68.708 -93.499 35.066 -99.200 -91.000 TYR 152 0.840 62.591 -92.525 32.548 -99.200 -91.000 PHE 153 1.000 64.578 -85.164 34.372 -99.200 -91.000 TRP 155 1.040 69.679 -85.561 37.142 -99.200 -91.000 TRP6 155 1.020 69.870 -83.361 36.334 -99.200 -91.000 PHE 170 1.000 80.156 -77.254 47.516 -99.200 -91.000 TRP 175 1.040 80.258 -85.522 38.919 -99.200 -91.000 TRP6 175 1.020 80.930 -85.604 36.654 -99.200 -91.000 HIS 186 0.900 85.222 -84.352 52.060 -99.200 -91.000 PHE 200 1.000 75.880 -82.081 57.656 -99.200 -91.000 TYR 219 0.840 73.063-117.034 50.135 -99.200 -91.000 PHE 230 1.000 70.482 -99.381 49.752 -99.200 -91.000