============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 36 0.840 9.324 6.133 -6.805 -99.200 -91.000 TRP 39 1.040 10.674 20.045 -4.981 -99.200 -91.000 TRP6 39 1.020 12.655 21.149 -4.323 -99.200 -91.000 TYR 40 0.840 7.460 16.416 2.004 -99.200 -91.000 TYR 53 0.840 1.701 13.792 -5.696 -99.200 -91.000 TRP 54 1.040 5.272 9.694 -8.013 -99.200 -91.000 TRP6 54 1.020 3.009 9.067 -8.223 -99.200 -91.000 PHE 66 1.000 4.431 27.366 -3.880 -99.200 -91.000 PHE 75 1.000 14.913 15.074 -9.289 -99.200 -91.000 TYR 90 0.840 9.551 26.901 0.103 -99.200 -91.000 TYR 91 0.840 13.683 21.322 5.341 -99.200 -91.000 PHE 101 1.000 12.345 14.735 4.954 -99.200 -91.000 PHE 121 1.000 6.619 47.372 26.956 -99.200 -91.000 PHE 138 1.000 8.005 44.564 20.525 -99.200 -91.000 PHE 142 1.000 13.382 45.740 13.694 -99.200 -91.000 TYR 143 0.840 13.535 44.111 5.062 -99.200 -91.000 TRP 151 1.040 19.184 48.393 26.954 -99.200 -91.000 TRP6 151 1.020 17.153 48.884 28.053 -99.200 -91.000 TRP 166 1.040 16.405 41.042 15.410 -99.200 -91.000 TRP6 166 1.020 18.342 41.065 16.754 -99.200 -91.000 TYR 176 0.840 13.439 40.171 9.888 -99.200 -91.000 TYR 189 0.840 14.078 49.538 38.334 -99.200 -91.000 HIS 192 0.900 22.538 53.617 38.749 -99.200 -91.000 TYR 195 0.840 16.896 52.172 35.145 -99.200 -91.000 HIS 201 0.900 15.997 49.811 10.676 -99.200 -91.000 PHE 212 1.000 11.933 52.928 32.912 -99.200 -91.000