============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 6 1.000 -14.379 67.853 40.232 -99.200 -91.000 TRP 15 1.040 -17.236 65.476 45.171 -99.200 -91.000 TRP6 15 1.020 -17.434 64.480 43.038 -99.200 -91.000 TYR 19 0.840 -18.935 55.646 46.902 -99.200 -91.000 HIS 24 0.900 -31.271 53.329 47.041 -99.200 -91.000 PHE 29 1.000 -27.297 41.313 38.217 -99.200 -91.000 TYR 45 0.840 -9.967 41.256 51.239 -99.200 -91.000 PHE 51 1.000 -22.596 41.132 40.938 -99.200 -91.000 HIS 53 0.900 -24.012 38.943 35.308 -99.200 -91.000 HIS 59 0.900 -11.339 27.844 29.219 -99.200 -91.000 TYR 65 0.840 -14.893 31.206 42.997 -99.200 -91.000 TYR 80 0.840 -11.515 47.788 31.175 -99.200 -91.000 HIS 93 0.900 -6.795 27.721 41.496 -99.200 -91.000 PHE 94 1.000 -3.246 36.751 38.172 -99.200 -91.000 TRP 95 1.040 0.665 33.764 36.917 -99.200 -91.000 TRP6 95 1.020 0.904 35.670 35.532 -99.200 -91.000 TRP 99 1.040 -2.522 29.219 27.874 -99.200 -91.000 TRP6 99 1.020 -0.342 29.663 27.053 -99.200 -91.000 TYR 123 0.840 0.456 38.427 40.672 -99.200 -91.000 TRP 124 1.040 6.064 39.904 39.930 -99.200 -91.000 TRP6 124 1.020 4.649 40.841 41.574 -99.200 -91.000 PHE 134 1.000 2.612 29.867 39.044 -99.200 -91.000 TYR 151 0.840 4.079 57.152 39.056 -99.200 -91.000 TYR 152 0.840 5.426 53.823 35.607 -99.200 -91.000 HIS 172 0.900 2.965 42.517 37.345 -99.200 -91.000 PHE 173 1.000 1.695 47.538 31.343 -99.200 -91.000 HIS 174 0.900 3.659 46.279 41.806 -99.200 -91.000 TYR 175 0.840 -0.126 54.257 40.357 -99.200 -91.000 TRP 178 1.040 -4.837 54.101 43.909 -99.200 -91.000 TRP6 178 1.020 -5.618 53.874 41.694 -99.200 -91.000 PHE 181 1.000 -10.758 50.344 51.676 -99.200 -91.000 PHE 190 1.000 -5.782 56.626 36.589 -99.200 -91.000 PHE 193 1.000 0.034 51.961 36.025 -99.200 -91.000 PHE 195 1.000 -3.741 58.278 27.839 -99.200 -91.000 HIS 207 0.900 -2.757 41.672 22.440 -99.200 -91.000 HIS 213 0.900 -3.513 42.118 41.135 -99.200 -91.000 PHE 224 1.000 -6.047 50.832 34.766 -99.200 -91.000 PHE 255 1.000 -21.057 43.636 32.633 -99.200 -91.000 PHE 268 1.000 -7.130 60.364 40.727 -99.200 -91.000 TYR 270 0.840 -17.673 63.011 38.192 -99.200 -91.000 PHE 279 1.000 -2.920 61.972 24.265 -99.200 -91.000 TRP 290 1.040 -1.352 64.412 31.774 -99.200 -91.000 TRP6 290 1.020 -2.440 63.005 30.220 -99.200 -91.000 HIS 295 0.900 7.809 65.458 40.101 -99.200 -91.000