============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 -1.596 -14.548 17.033 -99.200 -91.000 PHE 9 1.000 -2.465 -5.634 17.945 -99.200 -91.000 HIS 21 0.900 -4.203 -9.851 19.085 -99.200 -91.000 TYR 22 0.840 -10.542 -6.793 16.945 -99.200 -91.000 HIS 23 0.900 -6.469 -13.768 17.137 -99.200 -91.000 HIS 37 0.900 -8.836 -14.613 27.001 -99.200 -91.000 TRP 46 1.040 -4.623 -18.861 17.079 -99.200 -91.000 TRP6 46 1.020 -6.276 -18.400 15.471 -99.200 -91.000 PHE 49 1.000 -13.019 -19.271 23.067 -99.200 -91.000 HIS 59 0.900 -22.145 -22.868 11.066 -99.200 -91.000 PHE 60 1.000 -23.024 -18.117 14.674 -99.200 -91.000 HIS 61 0.900 -17.713 -9.871 12.020 -99.200 -91.000 TYR 70 0.840 -5.983 -12.938 31.127 -99.200 -91.000 HIS 72 0.900 0.112 -11.133 21.000 -99.200 -91.000 HIS 79 0.900 -7.387 -4.877 36.582 -99.200 -91.000 PHE 82 1.000 -9.954 -9.103 33.811 -99.200 -91.000 TYR 85 0.840 -9.085 -3.016 32.890 -99.200 -91.000 PHE 94 1.000 -20.332 -5.260 21.894 -99.200 -91.000 PHE 117 1.000 -20.949 -5.585 26.439 -99.200 -91.000 TYR 121 0.840 -21.318 -1.090 29.378 -99.200 -91.000 PHE 141 1.000 -24.548 -28.575 47.771 -99.200 -91.000 PHE 155 1.000 2.523 -19.911 36.377 -99.200 -91.000 PHE 167 1.000 -4.705 -23.073 35.743 -99.200 -91.000 TYR 173 0.840 -13.080 -37.711 33.021 -99.200 -91.000 PHE 187 1.000 7.509 -21.742 32.870 -99.200 -91.000 PHE 206 1.000 -12.708 -11.570 40.143 -99.200 -91.000 PHE 211 1.000 -17.338 -6.286 48.165 -99.200 -91.000 TRP 217 1.040 -23.345 -14.717 43.676 -99.200 -91.000 TRP6 217 1.020 -24.654 -14.359 45.613 -99.200 -91.000 TYR 221 0.840 -33.073 -9.736 40.105 -99.200 -91.000 TRP 231 1.040 -20.289 -25.701 35.238 -99.200 -91.000 TRP6 231 1.020 -21.471 -23.663 35.384 -99.200 -91.000 HIS 256 0.900 -25.992 -30.488 26.807 -99.200 -91.000 PHE 258 1.000 -21.325 -31.246 26.425 -99.200 -91.000 HIS 263 0.900 -12.868 -23.846 33.807 -99.200 -91.000 TRP 264 1.040 -9.090 -25.576 29.483 -99.200 -91.000 TRP6 264 1.020 -6.910 -26.266 28.941 -99.200 -91.000 PHE 270 1.000 -13.506 -28.434 17.781 -99.200 -91.000 PHE 273 1.000 -18.301 -24.268 23.029 -99.200 -91.000 PHE 280 1.000 -28.836 -20.232 23.716 -99.200 -91.000