============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 30 0.840 17.341 -12.314 -18.579 -99.200 -91.000 TYR 36 0.840 17.032 -7.430 -15.265 -99.200 -91.000 TRP 39 1.040 20.390 -2.584 -2.917 -99.200 -91.000 TRP6 39 1.020 20.597 -3.764 -0.867 -99.200 -91.000 PHE 40 1.000 11.758 -2.011 -3.623 -99.200 -91.000 TYR 53 0.840 16.131 1.524 -12.128 -99.200 -91.000 PHE 66 1.000 20.323 6.582 0.328 -99.200 -91.000 PHE 75 1.000 23.697 -8.665 -6.175 -99.200 -91.000 TYR 90 0.840 18.232 1.727 4.099 -99.200 -91.000 TYR 91 0.840 12.268 -4.693 3.997 -99.200 -91.000 PHE 95 1.000 11.356 -7.126 -11.345 -99.200 -91.000 TYR 98 0.840 7.274 -15.125 -13.511 -99.200 -91.000 PHE 100 1.000 9.374 -10.926 -10.782 -99.200 -91.000 PHE 102 1.000 9.759 -7.628 -2.250 -99.200 -91.000 PHE 122 1.000 -0.206 11.502 31.274 -99.200 -91.000 PHE 139 1.000 2.039 8.365 27.041 -99.200 -91.000 PHE 143 1.000 13.679 5.888 25.917 -99.200 -91.000 TYR 144 0.840 21.126 6.530 21.137 -99.200 -91.000 TRP 152 1.040 4.108 0.047 35.465 -99.200 -91.000 TRP6 152 1.020 2.739 1.984 35.552 -99.200 -91.000 TRP 167 1.040 10.141 -0.807 24.502 -99.200 -91.000 TRP6 167 1.020 8.895 -2.787 24.841 -99.200 -91.000 TYR 177 0.840 15.775 4.099 19.550 -99.200 -91.000 TYR 190 0.840 -6.953 3.695 40.605 -99.200 -91.000 HIS 193 0.900 -3.467 -2.109 46.420 -99.200 -91.000 TYR 196 0.840 -2.418 2.524 42.192 -99.200 -91.000 HIS 202 0.900 18.263 5.840 28.988 -99.200 -91.000 PHE 213 1.000 -1.666 7.598 40.203 -99.200 -91.000