============================================================================= 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 15.883 34.348 70.122 -99.200 -91.000 TRP6 14 1.020 15.053 35.853 71.744 -99.200 -91.000 PHE 19 1.000 17.124 29.726 53.105 -99.200 -91.000 TRP 37 1.040 30.817 37.564 66.348 -99.200 -91.000 TRP6 37 1.020 32.266 35.904 65.481 -99.200 -91.000 HIS 43 0.900 23.938 18.527 62.729 -99.200 -91.000 TYR 47 0.840 27.427 13.740 59.659 -99.200 -91.000 TRP 49 1.040 24.665 12.204 56.135 -99.200 -91.000 TRP6 49 1.020 23.068 13.405 57.402 -99.200 -91.000 PHE 53 1.000 27.107 23.254 52.699 -99.200 -91.000 HIS 65 0.900 5.151 34.721 61.442 -99.200 -91.000 TYR 70 0.840 11.376 39.786 49.857 -99.200 -91.000 TYR 84 0.840 35.806 32.409 63.152 -99.200 -91.000 HIS 86 0.900 35.100 22.930 70.550 -99.200 -91.000 TYR 89 0.840 31.204 18.517 64.275 -99.200 -91.000 TRP 91 1.040 34.166 14.999 61.554 -99.200 -91.000 TRP6 91 1.020 34.509 13.038 60.259 -99.200 -91.000 PHE 110 1.000 20.912 44.054 67.503 -99.200 -91.000 TYR 113 0.840 8.768 42.901 62.939 -99.200 -91.000 HIS 115 0.900 16.708 42.884 71.088 -99.200 -91.000 TYR 132 0.840 13.592 24.071 86.743 -99.200 -91.000 TRP 139 1.040 10.732 28.844 59.120 -99.200 -91.000 TRP6 139 1.020 12.069 30.487 60.213 -99.200 -91.000 TRP 146 1.040 10.830 13.169 52.577 -99.200 -91.000 TRP6 146 1.020 10.922 15.522 52.839 -99.200 -91.000 PHE 179 1.000 19.949 20.999 76.848 -99.200 -91.000 TYR 183 0.840 5.936 17.317 77.130 -99.200 -91.000 PHE 202 1.000 15.630 23.372 75.691 -99.200 -91.000 PHE 208 1.000 15.826 33.762 89.823 -99.200 -91.000 TRP 212 1.040 12.418 35.055 76.199 -99.200 -91.000 TRP6 212 1.020 11.317 32.973 76.360 -99.200 -91.000 TYR 213 0.840 19.768 34.534 80.500 -99.200 -91.000 TRP 220 1.040 22.935 13.898 69.234 -99.200 -91.000 TRP6 220 1.020 22.253 11.795 70.091 -99.200 -91.000 TYR 230 0.840 13.316 10.907 76.531 -99.200 -91.000 PHE 232 1.000 20.353 12.711 73.563 -99.200 -91.000 TYR 233 0.840 17.265 20.079 72.250 -99.200 -91.000 HIS 235 0.900 25.257 22.269 79.371 -99.200 -91.000 PHE 237 1.000 28.349 28.118 82.008 -99.200 -91.000 TRP 242 1.040 35.383 27.204 70.322 -99.200 -91.000 TRP6 242 1.020 33.486 27.558 68.960 -99.200 -91.000 PHE 250 1.000 35.696 40.245 66.736 -99.200 -91.000