============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 17 0.900 37.325 26.143 5.619 -99.200 -91.000 TYR 31 0.840 47.857 3.882 0.771 -99.200 -91.000 TYR 37 0.840 37.525 3.210 8.986 -99.200 -91.000 TYR 38 0.840 44.766 5.575 9.741 -99.200 -91.000 PHE 63 1.000 33.379 12.506 12.089 -99.200 -91.000 TRP 73 1.040 33.160 -2.261 11.953 -99.200 -91.000 TRP6 73 1.020 33.952 -0.074 11.636 -99.200 -91.000 TYR 79 0.840 27.808 8.551 16.328 -99.200 -91.000 PHE 92 1.000 37.456 14.323 29.565 -99.200 -91.000 PHE 98 1.000 30.350 7.585 26.339 -99.200 -91.000 TYR 113 0.840 48.688 8.342 19.492 -99.200 -91.000 TYR 114 0.840 51.956 0.712 12.645 -99.200 -91.000 HIS 116 0.900 57.131 -4.972 18.840 -99.200 -91.000 PHE 118 1.000 49.417 2.658 20.400 -99.200 -91.000 HIS 119 0.900 49.826 -5.898 23.321 -99.200 -91.000 PHE 135 1.000 50.065 7.145 26.685 -99.200 -91.000 TYR 137 0.840 56.616 10.701 19.070 -99.200 -91.000 HIS 138 0.900 63.088 14.982 21.076 -99.200 -91.000 TYR 145 0.840 52.067 19.085 18.996 -99.200 -91.000 PHE 150 1.000 59.422 13.841 31.051 -99.200 -91.000 TYR 170 0.840 60.895 13.754 25.661 -99.200 -91.000 TYR 176 0.840 44.994 14.219 26.170 -99.200 -91.000 PHE 177 1.000 44.347 5.265 28.127 -99.200 -91.000 TYR 178 0.840 41.914 12.688 31.538 -99.200 -91.000 TYR 206 0.840 43.439 13.576 36.924 -99.200 -91.000 TYR 221 0.840 55.302 2.994 20.740 -99.200 -91.000 TRP 223 1.040 51.094 11.879 18.255 -99.200 -91.000 TRP6 223 1.020 51.838 13.925 19.128 -99.200 -91.000 HIS 229 0.900 46.492 22.511 3.129 -99.200 -91.000 PHE 238 1.000 55.390 6.100 9.298 -99.200 -91.000 TYR 258 0.840 38.609 -13.057 12.961 -99.200 -91.000 TRP 262 1.040 36.039 -6.760 21.455 -99.200 -91.000 TRP6 262 1.020 36.974 -4.592 21.323 -99.200 -91.000 TYR 280 0.840 39.253 -1.688 4.674 -99.200 -91.000 TYR 283 0.840 44.143 -6.657 5.558 -99.200 -91.000 TYR 293 0.840 52.644 -16.434 13.727 -99.200 -91.000