============================================================================= 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. TRP 8 1.040 -9.841 74.936 28.652 -99.200 -91.000 TRP6 8 1.020 -10.458 76.627 27.109 -99.200 -91.000 PHE 20 1.000 -1.392 79.975 25.242 -99.200 -91.000 TYR 23 0.840 -4.036 73.273 27.293 -99.200 -91.000 HIS 47 0.900 -0.744 71.053 -8.189 -99.200 -91.000 HIS 48 0.900 1.871 75.314 -3.573 -99.200 -91.000 TRP 59 1.040 -11.594 66.126 10.830 -99.200 -91.000 TRP6 59 1.020 -13.567 66.437 12.120 -99.200 -91.000 PHE 60 1.000 -15.746 71.104 10.804 -99.200 -91.000 TRP 82 1.040 -12.819 77.295 6.015 -99.200 -91.000 TRP6 82 1.020 -14.715 77.497 7.410 -99.200 -91.000 TYR 84 0.840 -8.558 80.768 -3.840 -99.200 -91.000 TYR 85 0.840 -12.131 71.264 0.721 -99.200 -91.000 HIS 105 0.900 -8.276 92.273 11.002 -99.200 -91.000 TYR 114 0.840 -11.270 71.058 -10.782 -99.200 -91.000 TRP 116 1.040 -8.438 79.525 -11.678 -99.200 -91.000 TRP6 116 1.020 -8.797 81.642 -12.694 -99.200 -91.000 PHE 128 1.000 -20.861 90.640 12.551 -99.200 -91.000 PHE 129 1.000 -23.337 98.978 5.871 -99.200 -91.000 TRP 166 1.040 -25.775 86.408 5.677 -99.200 -91.000 TRP6 166 1.020 -24.963 86.824 3.484 -99.200 -91.000 PHE 173 1.000 -26.404 74.836 9.530 -99.200 -91.000 TYR 181 0.840 -16.392 78.387 27.605 -99.200 -91.000 HIS 196 0.900 -32.216 77.903 10.602 -99.200 -91.000 HIS 211 0.900 -15.014 74.530 25.137 -99.200 -91.000 TYR 214 0.840 -15.232 75.612 13.059 -99.200 -91.000 TRP 215 1.040 -25.476 74.845 14.070 -99.200 -91.000 TRP6 215 1.020 -26.783 76.695 13.376 -99.200 -91.000 PHE 238 1.000 -5.793 73.354 31.247 -99.200 -91.000 HIS 242 0.900 6.873 62.913 26.414 -99.200 -91.000 TYR 247 0.840 3.196 69.032 12.204 -99.200 -91.000