============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 3 0.900 8.530 28.672 32.288 -99.200 -91.000 PHE 16 1.000 15.968 11.604 43.845 -99.200 -91.000 TYR 21 0.840 26.099 5.345 46.819 -99.200 -91.000 PHE 36 1.000 26.726 12.616 67.668 -99.200 -91.000 TYR 55 0.840 21.297 12.093 69.836 -99.200 -91.000 TYR 56 0.840 18.233 19.565 67.310 -99.200 -91.000 TRP 61 1.040 25.665 10.969 52.012 -99.200 -91.000 TRP6 61 1.020 24.041 11.300 53.727 -99.200 -91.000 TRP 68 1.040 21.468 20.245 40.082 -99.200 -91.000 TRP6 68 1.020 21.224 19.448 42.296 -99.200 -91.000 TYR 73 0.840 18.427 19.534 35.718 -99.200 -91.000 PHE 79 1.000 17.062 17.546 45.019 -99.200 -91.000 TRP 87 1.040 23.439 4.326 51.207 -99.200 -91.000 TRP6 87 1.020 25.024 5.631 52.375 -99.200 -91.000 TYR 94 0.840 29.467 -1.684 70.647 -99.200 -91.000 HIS 112 0.900 25.847 23.440 42.760 -99.200 -91.000 PHE 118 1.000 18.258 12.292 57.619 -99.200 -91.000 PHE 126 1.000 24.201 7.490 76.926 -99.200 -91.000 PHE 145 1.000 25.809 8.448 68.952 -99.200 -91.000 TRP 148 1.040 25.186 -3.499 63.703 -99.200 -91.000 TRP6 148 1.020 25.551 -3.043 66.000 -99.200 -91.000 TYR 150 0.840 27.884 -0.086 54.022 -99.200 -91.000 PHE 153 1.000 40.173 -1.716 55.050 -99.200 -91.000 TYR 169 0.840 21.722 20.593 78.157 -99.200 -91.000 TYR 170 0.840 14.459 22.880 79.270 -99.200 -91.000 TYR 175 0.840 20.040 14.890 85.254 -99.200 -91.000 HIS 188 0.900 40.545 -3.340 64.563 -99.200 -91.000 TYR 189 0.840 32.645 -3.201 66.650 -99.200 -91.000 TYR 196 0.840 33.126 -2.867 60.977 -99.200 -91.000 PHE 205 1.000 25.145 13.059 83.182 -99.200 -91.000