============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 17 1.000 -2.472 -17.736 4.580 -99.200 -91.000 TYR 30 0.840 0.959 -16.410 13.771 -99.200 -91.000 PHE 33 1.000 0.332 -9.374 13.906 -99.200 -91.000 HIS 37 0.900 -7.755 -12.488 19.921 -99.200 -91.000 PHE 40 1.000 -6.742 -4.682 23.064 -99.200 -91.000 HIS 53 0.900 -12.013 -9.967 21.605 -99.200 -91.000 PHE 58 1.000 -16.410 -9.635 17.000 -99.200 -91.000 TRP 61 1.040 -9.266 -4.100 18.645 -99.200 -91.000 TRP6 61 1.020 -8.317 -6.287 18.559 -99.200 -91.000 HIS 62 0.900 -11.701 -9.248 16.535 -99.200 -91.000 PHE 65 1.000 -5.106 -9.021 16.018 -99.200 -91.000 PHE 69 1.000 -1.265 -12.680 10.234 -99.200 -91.000 TYR 84 0.840 -14.137 -15.027 1.339 -99.200 -91.000 TRP 85 1.040 -13.842 -22.264 6.847 -99.200 -91.000 TRP6 85 1.020 -13.711 -22.719 9.155 -99.200 -91.000 TRP 87 1.040 -17.247 -19.481 9.528 -99.200 -91.000 TRP6 87 1.020 -19.292 -18.393 9.858 -99.200 -91.000 TRP 98 1.040 -10.771 -27.800 8.021 -99.200 -91.000 TRP6 98 1.020 -9.804 -26.439 9.704 -99.200 -91.000 PHE 102 1.000 -5.498 -22.871 2.632 -99.200 -91.000 PHE 119 1.000 0.336 -23.355 9.200 -99.200 -91.000 TRP 126 1.040 1.839 -22.931 14.280 -99.200 -91.000 TRP6 126 1.020 2.135 -20.957 13.004 -99.200 -91.000 TYR 137 0.840 0.602 -31.042 21.932 -99.200 -91.000 TYR 164 0.840 -22.084 -2.096 14.162 -99.200 -91.000 TYR 169 0.840 -24.389 0.774 22.257 -99.200 -91.000 PHE 176 1.000 -24.181 -7.699 11.291 -99.200 -91.000 HIS 179 0.900 -28.808 -11.556 17.735 -99.200 -91.000 TRP 183 1.040 -20.203 -12.634 23.208 -99.200 -91.000 TRP6 183 1.020 -19.065 -14.277 24.512 -99.200 -91.000 HIS 189 0.900 -16.108 -14.537 16.891 -99.200 -91.000 HIS 193 0.900 -12.633 -17.872 17.813 -99.200 -91.000 TRP 195 1.040 -17.345 -27.537 13.701 -99.200 -91.000 TRP6 195 1.020 -15.636 -27.678 12.079 -99.200 -91.000 PHE 211 1.000 -7.908 -14.595 15.390 -99.200 -91.000 TRP 212 1.040 -4.148 -15.012 11.381 -99.200 -91.000 TRP6 212 1.020 -4.138 -12.947 12.551 -99.200 -91.000 HIS 214 0.900 -14.409 -17.435 12.825 -99.200 -91.000 HIS 215 0.900 -12.187 -12.832 14.181 -99.200 -91.000 TYR 217 0.840 -18.124 -16.159 5.649 -99.200 -91.000 TRP 222 1.040 -19.274 -4.229 9.664 -99.200 -91.000 TRP6 222 1.020 -17.208 -3.238 10.234 -99.200 -91.000 TRP 225 1.040 -25.915 -5.455 9.202 -99.200 -91.000 TRP6 225 1.020 -25.136 -3.247 9.573 -99.200 -91.000 HIS 229 0.900 -29.891 -4.571 7.184 -99.200 -91.000 TYR 234 0.840 -19.000 1.635 15.684 -99.200 -91.000 TRP 253 1.040 -3.987 -0.764 15.787 -99.200 -91.000 TRP6 253 1.020 -6.096 -1.704 16.227 -99.200 -91.000 HIS 264 0.900 -15.487 -3.818 1.846 -99.200 -91.000 TYR 267 0.840 -8.451 0.355 5.324 -99.200 -91.000 TYR 268 0.840 -10.148 -5.647 3.380 -99.200 -91.000 PHE 270 1.000 -14.563 -8.924 1.477 -99.200 -91.000