============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 11 1.040 6.527 89.670 -3.599 -99.200 -91.000 TRP6 11 1.020 8.197 90.635 -2.236 -99.200 -91.000 TYR 23 0.840 1.542 93.435 11.992 -99.200 -91.000 HIS 25 0.900 -7.130 85.485 13.961 -99.200 -91.000 HIS 28 0.900 -10.121 91.224 17.142 -99.200 -91.000 PHE 38 1.000 9.932 100.531 18.997 -99.200 -91.000 TYR 46 0.840 12.576 94.301 6.792 -99.200 -91.000 TYR 47 0.840 14.573 98.382 16.625 -99.200 -91.000 PHE 53 1.000 14.755 98.766 22.264 -99.200 -91.000 TYR 67 0.840 1.892 100.394 6.638 -99.200 -91.000 HIS 79 0.900 -0.029 99.131 11.360 -99.200 -91.000 TYR 81 0.840 -2.185 93.696 20.616 -99.200 -91.000 PHE 89 1.000 9.537 104.391 21.611 -99.200 -91.000 TYR 121 0.840 -5.294 102.439 21.721 -99.200 -91.000 TYR 140 0.840 26.058 101.759 1.110 -99.200 -91.000 TYR 145 0.840 14.106 106.255 -6.798 -99.200 -91.000 TRP 155 1.040 10.196 115.565 4.190 -99.200 -91.000 TRP6 155 1.020 8.441 114.032 3.740 -99.200 -91.000 TYR 159 0.840 8.170 113.195 10.448 -99.200 -91.000 TYR 166 0.840 -1.567 117.282 18.076 -99.200 -91.000 PHE 170 1.000 12.089 115.112 16.089 -99.200 -91.000 PHE 174 1.000 19.889 112.949 10.123 -99.200 -91.000 TYR 188 0.840 26.051 103.007 13.770 -99.200 -91.000 HIS 194 0.900 15.861 98.418 3.928 -99.200 -91.000 TYR 200 0.840 17.255 97.328 12.921 -99.200 -91.000 TYR 210 0.840 14.035 109.854 23.767 -99.200 -91.000 TYR 212 0.840 12.078 102.002 31.502 -99.200 -91.000