============================================================================= 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 1 1.000 73.109 51.692 -2.841 -99.200 -91.000 TYR 5 0.840 74.838 60.321 5.340 -99.200 -91.000 PHE 9 1.000 63.731 71.744 6.852 -99.200 -91.000 HIS 11 0.900 55.025 75.497 9.021 -99.200 -91.000 TYR 19 0.840 61.217 81.620 5.109 -99.200 -91.000 HIS 20 0.900 58.598 75.482 -3.035 -99.200 -91.000 PHE 23 1.000 63.718 75.249 3.727 -99.200 -91.000 TRP 26 1.040 70.283 74.448 2.844 -99.200 -91.000 TRP6 26 1.020 68.756 72.856 3.691 -99.200 -91.000 PHE 43 1.000 57.259 66.732 5.510 -99.200 -91.000 TRP 65 1.040 57.593 71.697 11.411 -99.200 -91.000 TRP6 65 1.020 56.249 70.500 9.879 -99.200 -91.000 TYR 74 0.840 58.841 70.735 22.435 -99.200 -91.000 TYR 84 0.840 56.931 96.656 19.618 -99.200 -91.000 PHE 85 1.000 64.950 88.805 21.038 -99.200 -91.000 PHE 88 1.000 61.687 95.466 24.702 -99.200 -91.000 TRP 111 1.040 68.583 79.492 26.450 -99.200 -91.000 TRP6 111 1.020 68.065 81.633 25.605 -99.200 -91.000 PHE 119 1.000 63.024 69.025 25.653 -99.200 -91.000 PHE 126 1.000 70.028 81.916 15.727 -99.200 -91.000 TYR 127 0.840 72.525 83.384 11.373 -99.200 -91.000 TRP 128 1.040 66.820 79.999 6.927 -99.200 -91.000 TRP6 128 1.020 66.144 79.446 4.734 -99.200 -91.000 TYR 132 0.840 61.170 94.657 11.802 -99.200 -91.000 HIS 134 0.900 54.480 96.340 10.085 -99.200 -91.000 PHE 135 1.000 48.481 94.986 16.431 -99.200 -91.000 TRP 160 1.040 53.285 83.154 17.818 -99.200 -91.000 TRP6 160 1.020 54.095 84.580 16.101 -99.200 -91.000 PHE 176 1.000 47.475 83.272 5.911 -99.200 -91.000 TYR 180 0.840 38.141 87.447 1.934 -99.200 -91.000 TYR 195 0.840 52.774 96.134 4.402 -99.200 -91.000 TYR 199 0.840 49.166 90.793 -3.622 -99.200 -91.000 TYR 204 0.840 44.311 92.584 -1.667 -99.200 -91.000 TYR 209 0.840 42.326 102.577 8.283 -99.200 -91.000 HIS 214 0.900 52.651 93.418 16.103 -99.200 -91.000 PHE 215 1.000 54.433 89.043 17.830 -99.200 -91.000 PHE 220 1.000 65.241 79.770 16.722 -99.200 -91.000 TRP 227 1.040 69.357 62.670 8.692 -99.200 -91.000 TRP6 227 1.020 70.101 64.765 7.894 -99.200 -91.000 PHE 228 1.000 74.312 68.598 12.315 -99.200 -91.000 TYR 235 0.840 79.153 64.452 3.187 -99.200 -91.000 TYR 260 0.840 54.495 89.737 -1.486 -99.200 -91.000 PHE 281 1.000 51.099 99.970 20.063 -99.200 -91.000 TYR 288 0.840 59.952 90.443 26.317 -99.200 -91.000