============================================================================= 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. PHE 9 1.000 28.250 25.830 19.719 -99.200 -91.000 HIS 30 0.900 -0.870 19.619 36.143 -99.200 -91.000 TYR 36 0.840 2.954 16.979 33.021 -99.200 -91.000 TYR 38 0.840 7.615 15.298 28.009 -99.200 -91.000 TRP 39 1.040 16.420 16.664 29.441 -99.200 -91.000 TRP6 39 1.020 17.698 18.568 28.847 -99.200 -91.000 TYR 40 0.840 11.387 15.242 22.510 -99.200 -91.000 HIS 49 0.900 17.066 9.319 19.871 -99.200 -91.000 TYR 53 0.840 8.315 8.883 30.272 -99.200 -91.000 HIS 54 0.900 5.159 12.333 32.470 -99.200 -91.000 PHE 66 1.000 21.944 9.103 27.185 -99.200 -91.000 PHE 75 1.000 13.411 22.350 33.648 -99.200 -91.000 TYR 90 0.840 22.288 14.777 24.023 -99.200 -91.000 TYR 91 0.840 16.997 20.205 19.318 -99.200 -91.000 HIS 94 0.900 5.939 23.950 26.927 -99.200 -91.000 PHE 102 1.000 10.002 20.864 20.270 -99.200 -91.000 PHE 122 1.000 39.470 11.962 -4.810 -99.200 -91.000 PHE 139 1.000 36.377 13.529 -0.907 -99.200 -91.000 PHE 143 1.000 39.828 17.683 9.852 -99.200 -91.000 TYR 144 0.840 39.177 16.265 18.498 -99.200 -91.000 TRP 152 1.040 42.187 24.295 -3.362 -99.200 -91.000 TRP6 152 1.020 42.225 22.271 -4.565 -99.200 -91.000 TRP 167 1.040 35.064 23.048 7.434 -99.200 -91.000 TRP6 167 1.020 34.268 24.930 6.234 -99.200 -91.000 TYR 177 0.840 34.862 17.779 14.546 -99.200 -91.000 TYR 190 0.840 41.950 20.491 -15.341 -99.200 -91.000 HIS 193 0.900 46.811 27.931 -15.129 -99.200 -91.000 TYR 196 0.840 45.079 22.313 -11.984 -99.200 -91.000 HIS 202 0.900 44.526 18.742 12.523 -99.200 -91.000 PHE 213 1.000 45.239 16.903 -10.580 -99.200 -91.000