============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 73.170 -2.032 49.279 -99.200 -91.000 TRP6 14 1.020 75.107 -3.263 49.744 -99.200 -91.000 PHE 19 1.000 63.808 9.861 36.425 -99.200 -91.000 TRP 37 1.040 60.357 -10.244 44.458 -99.200 -91.000 TRP6 37 1.020 58.131 -9.522 44.842 -99.200 -91.000 HIS 43 0.900 57.777 7.684 53.009 -99.200 -91.000 TYR 47 0.840 52.197 11.302 53.136 -99.200 -91.000 TRP 49 1.040 52.596 15.837 50.781 -99.200 -91.000 TRP6 49 1.020 54.762 14.883 50.924 -99.200 -91.000 PHE 53 1.000 53.909 8.664 42.479 -99.200 -91.000 HIS 65 0.900 79.380 8.048 41.933 -99.200 -91.000 TYR 70 0.840 70.822 6.596 29.789 -99.200 -91.000 TYR 84 0.840 52.972 -7.457 45.477 -99.200 -91.000 HIS 86 0.900 51.999 -4.428 56.745 -99.200 -91.000 TYR 89 0.840 51.749 3.710 54.575 -99.200 -91.000 TRP 91 1.040 47.385 6.725 54.792 -99.200 -91.000 TRP6 91 1.020 46.251 8.736 55.340 -99.200 -91.000 PHE 110 1.000 71.845 -9.853 41.012 -99.200 -91.000 TYR 113 0.840 79.751 -0.434 37.624 -99.200 -91.000 HIS 115 0.900 76.075 -9.052 44.645 -99.200 -91.000 TYR 132 0.840 76.855 -2.948 68.544 -99.200 -91.000 TRP 139 1.040 71.723 9.702 43.874 -99.200 -91.000 TRP6 139 1.020 70.824 7.510 43.770 -99.200 -91.000 TRP 146 1.040 68.987 25.178 49.057 -99.200 -91.000 TRP6 146 1.020 67.759 23.150 49.302 -99.200 -91.000 PHE 184 1.000 66.330 1.103 62.914 -99.200 -91.000 TYR 188 0.840 77.292 10.603 65.078 -99.200 -91.000 PHE 207 1.000 70.675 2.283 60.232 -99.200 -91.000 PHE 213 1.000 82.144 -12.405 64.862 -99.200 -91.000 TRP 217 1.040 78.429 -4.083 53.123 -99.200 -91.000 TRP6 217 1.020 78.631 -2.211 54.580 -99.200 -91.000 TYR 218 0.840 73.309 -9.859 57.131 -99.200 -91.000 TRP 225 1.040 58.655 8.643 61.114 -99.200 -91.000 TRP6 225 1.020 58.758 10.087 62.974 -99.200 -91.000 TYR 235 0.840 68.019 11.442 68.481 -99.200 -91.000 PHE 237 1.000 61.791 8.163 65.375 -99.200 -91.000 TYR 238 0.840 66.894 5.523 59.831 -99.200 -91.000 HIS 240 0.900 63.143 -3.960 63.737 -99.200 -91.000 PHE 242 1.000 63.972 -10.489 62.886 -99.200 -91.000 TRP 247 1.040 53.441 -7.431 53.822 -99.200 -91.000 TRP6 247 1.020 54.716 -6.000 52.456 -99.200 -91.000 PHE 255 1.000 62.171 -21.380 49.709 -99.200 -91.000