============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 11 0.840 -11.400 49.138 26.735 -99.200 -91.000 PHE 30 1.000 -24.984 63.233 44.118 -99.200 -91.000 TYR 34 0.840 -19.783 59.409 43.633 -99.200 -91.000 HIS 35 0.900 -22.096 54.565 43.434 -99.200 -91.000 HIS 40 0.900 -20.644 53.722 32.353 -99.200 -91.000 PHE 44 1.000 -20.688 62.448 26.795 -99.200 -91.000 PHE 62 1.000 -21.685 65.043 41.396 -99.200 -91.000 HIS 66 0.900 -10.238 76.059 40.708 -99.200 -91.000 HIS 68 0.900 -9.529 78.762 35.041 -99.200 -91.000 TYR 71 0.840 -10.842 79.261 30.907 -99.200 -91.000 HIS 73 0.900 -18.520 85.853 37.482 -99.200 -91.000 HIS 86 0.900 -15.938 85.913 20.592 -99.200 -91.000 TRP 96 1.040 -5.531 64.779 23.079 -99.200 -91.000 TRP6 96 1.020 -7.606 63.711 23.479 -99.200 -91.000 HIS 97 0.900 -7.741 70.756 28.332 -99.200 -91.000 PHE 102 1.000 -4.006 75.627 36.848 -99.200 -91.000 TRP 126 1.040 -14.336 64.113 28.550 -99.200 -91.000 TRP6 126 1.020 -15.995 65.193 27.266 -99.200 -91.000 TYR 133 0.840 -1.220 51.378 35.194 -99.200 -91.000 PHE 140 1.000 7.604 51.978 28.150 -99.200 -91.000 HIS 151 0.900 0.572 67.837 36.269 -99.200 -91.000 PHE 153 1.000 -2.085 79.926 35.065 -99.200 -91.000 PHE 157 1.000 -5.080 79.192 31.291 -99.200 -91.000 TYR 160 0.840 1.924 83.646 23.215 -99.200 -91.000 TYR 162 0.840 -4.252 85.046 29.465 -99.200 -91.000 HIS 169 0.900 3.597 90.508 31.612 -99.200 -91.000 TRP 172 1.040 0.051 85.602 32.682 -99.200 -91.000 TRP6 172 1.020 2.317 85.219 33.243 -99.200 -91.000 HIS 184 0.900 -0.747 67.445 41.065 -99.200 -91.000 HIS 190 0.900 -11.311 57.234 41.071 -99.200 -91.000 PHE 199 1.000 -3.715 63.581 37.564 -99.200 -91.000 PHE 204 1.000 -3.088 73.174 32.724 -99.200 -91.000 PHE 222 1.000 4.675 55.226 25.160 -99.200 -91.000 PHE 224 1.000 2.807 65.320 26.906 -99.200 -91.000 HIS 226 0.900 -0.294 54.387 25.518 -99.200 -91.000 PHE 232 1.000 -5.498 53.615 25.241 -99.200 -91.000 TRP 236 1.040 -21.948 64.766 23.560 -99.200 -91.000 TRP6 236 1.020 -23.406 62.920 23.709 -99.200 -91.000 TRP 238 1.040 -20.158 69.396 22.597 -99.200 -91.000 TRP6 238 1.020 -20.571 69.047 24.891 -99.200 -91.000 TRP 246 1.040 -14.492 66.041 32.761 -99.200 -91.000 TRP6 246 1.020 -15.642 67.914 31.883 -99.200 -91.000 HIS 253 0.900 -11.391 67.924 29.625 -99.200 -91.000 TYR 254 0.840 -7.881 68.024 20.662 -99.200 -91.000 TYR 259 0.840 -15.872 76.416 17.706 -99.200 -91.000 HIS 267 0.900 -23.057 79.428 30.775 -99.200 -91.000 PHE 277 1.000 -4.030 58.152 47.015 -99.200 -91.000 TYR 278 0.840 1.785 54.035 42.528 -99.200 -91.000