============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 8 1.040 29.254 23.701 -1.067 -99.200 -91.000 TRP6 8 1.020 28.695 23.624 -3.380 -99.200 -91.000 PHE 9 1.000 25.140 26.726 -0.576 -99.200 -91.000 TRP 21 1.040 33.439 42.734 -13.441 -99.200 -91.000 TRP6 21 1.020 32.333 44.216 -14.958 -99.200 -91.000 TRP 25 1.040 34.379 35.967 -21.084 -99.200 -91.000 TRP6 25 1.020 34.745 33.825 -20.082 -99.200 -91.000 TYR 45 0.840 24.872 27.091 5.215 -99.200 -91.000 HIS 46 0.900 15.138 24.490 5.800 -99.200 -91.000 PHE 49 1.000 17.211 28.564 3.485 -99.200 -91.000 HIS 50 0.900 13.368 36.127 0.898 -99.200 -91.000 TYR 55 0.840 4.708 28.242 -6.567 -99.200 -91.000 PHE 70 1.000 18.086 23.934 -10.228 -99.200 -91.000 PHE 78 1.000 24.662 46.176 -13.731 -99.200 -91.000 PHE 79 1.000 27.428 36.790 -14.427 -99.200 -91.000 TYR 102 0.840 11.199 29.883 -9.318 -99.200 -91.000 HIS 103 0.900 7.391 27.536 -2.169 -99.200 -91.000 TRP 106 1.040 20.072 33.639 1.795 -99.200 -91.000 TRP6 106 1.020 21.644 34.285 0.131 -99.200 -91.000 PHE 109 1.000 16.692 42.808 1.534 -99.200 -91.000 HIS 121 0.900 20.701 29.609 -16.700 -99.200 -91.000 PHE 122 1.000 15.120 26.177 -12.704 -99.200 -91.000 HIS 125 0.900 20.773 23.367 -14.217 -99.200 -91.000 HIS 141 0.900 23.890 33.707 -22.088 -99.200 -91.000 HIS 143 0.900 25.736 38.662 -22.998 -99.200 -91.000 TYR 152 0.840 28.226 39.532 -34.966 -99.200 -91.000 PHE 161 1.000 31.647 29.294 -34.143 -99.200 -91.000 TRP 166 1.040 37.172 20.193 -31.558 -99.200 -91.000 TRP6 166 1.020 36.321 18.337 -32.790 -99.200 -91.000 PHE 176 1.000 35.450 22.965 -27.292 -99.200 -91.000 TRP 185 1.040 19.391 36.839 -32.797 -99.200 -91.000 TRP6 185 1.020 17.122 37.499 -32.538 -99.200 -91.000 HIS 204 0.900 26.635 19.554 -30.137 -99.200 -91.000 TRP 209 1.040 21.634 30.829 -26.946 -99.200 -91.000 TRP6 209 1.020 20.397 31.945 -25.293 -99.200 -91.000 PHE 211 1.000 24.407 36.742 -35.718 -99.200 -91.000 HIS 212 0.900 22.312 36.529 -26.117 -99.200 -91.000 PHE 215 1.000 22.342 29.641 -22.054 -99.200 -91.000 PHE 225 1.000 35.376 31.311 -15.618 -99.200 -91.000 TYR 242 0.840 39.401 32.734 -38.246 -99.200 -91.000 PHE 263 1.000 45.156 13.894 -24.103 -99.200 -91.000