============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 10 1.040 15.512 22.958 87.490 -99.200 -91.000 TRP6 10 1.020 13.662 21.538 87.480 -99.200 -91.000 TYR 11 0.840 16.146 18.917 79.775 -99.200 -91.000 PHE 15 1.000 8.308 26.361 74.183 -99.200 -91.000 TYR 18 0.840 20.939 17.808 69.464 -99.200 -91.000 PHE 31 1.000 3.887 5.346 62.179 -99.200 -91.000 HIS 35 0.900 2.714 1.460 63.123 -99.200 -91.000 PHE 52 1.000 17.429 1.033 71.697 -99.200 -91.000 PHE 65 1.000 11.781 0.619 73.107 -99.200 -91.000 TYR 69 0.840 15.899 13.236 73.930 -99.200 -91.000 TRP 71 1.040 20.526 10.601 70.723 -99.200 -91.000 TRP6 71 1.020 20.920 11.893 72.667 -99.200 -91.000 TYR 80 0.840 16.763 -12.110 76.846 -99.200 -91.000 TYR 86 0.840 7.986 6.874 77.054 -99.200 -91.000 PHE 87 1.000 13.811 0.515 77.760 -99.200 -91.000 PHE 99 1.000 15.714 -13.051 81.246 -99.200 -91.000 PHE 106 1.000 13.056 0.242 82.821 -99.200 -91.000 TYR 107 0.840 7.292 6.291 83.377 -99.200 -91.000 HIS 111 0.900 7.365 17.725 83.162 -99.200 -91.000 PHE 115 1.000 0.178 27.455 88.416 -99.200 -91.000 HIS 116 0.900 2.730 30.830 88.280 -99.200 -91.000 HIS 117 0.900 9.995 28.260 88.488 -99.200 -91.000 PHE 122 1.000 12.959 26.647 82.317 -99.200 -91.000 HIS 129 0.900 23.309 4.696 86.319 -99.200 -91.000 TRP 135 1.040 11.664 -11.531 85.895 -99.200 -91.000 TRP6 135 1.020 10.893 -13.078 87.494 -99.200 -91.000 PHE 136 1.000 13.683 -4.042 86.149 -99.200 -91.000 HIS 139 0.900 0.179 -3.806 84.093 -99.200 -91.000 HIS 167 0.900 23.861 -10.165 93.939 -99.200 -91.000