============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 9.273 32.844 -7.882 -99.200 -91.000 TRP6 24 1.020 10.160 30.820 -7.028 -99.200 -91.000 PHE 31 1.000 1.869 34.953 -5.674 -99.200 -91.000 TYR 33 0.840 -1.707 25.795 -11.580 -99.200 -91.000 PHE 34 1.000 -1.590 28.725 -3.178 -99.200 -91.000 TRP 57 1.040 -0.835 32.557 9.898 -99.200 -91.000 TRP6 57 1.020 -3.011 32.396 8.968 -99.200 -91.000 PHE 58 1.000 2.745 34.454 12.116 -99.200 -91.000 HIS 87 0.900 -10.719 29.709 8.806 -99.200 -91.000 PHE 88 1.000 -11.043 24.192 12.475 -99.200 -91.000 TRP 113 1.040 -5.975 21.650 -2.772 -99.200 -91.000 TRP6 113 1.020 -4.707 21.322 -4.739 -99.200 -91.000 TYR 121 0.840 5.620 21.903 -0.107 -99.200 -91.000 HIS 127 0.900 -0.716 10.336 5.121 -99.200 -91.000 HIS 130 0.900 -4.506 10.089 -5.816 -99.200 -91.000 PHE 134 1.000 -2.452 19.278 -8.924 -99.200 -91.000 PHE 142 1.000 14.534 33.648 -10.090 -99.200 -91.000 PHE 147 1.000 17.918 25.407 -1.190 -99.200 -91.000 PHE 148 1.000 8.817 19.867 -3.596 -99.200 -91.000 TYR 156 0.840 5.104 11.163 -5.297 -99.200 -91.000 TYR 162 0.840 -4.877 15.901 -13.178 -99.200 -91.000 TYR 177 0.840 4.777 30.396 -15.022 -99.200 -91.000 PHE 179 1.000 0.841 26.577 -14.488 -99.200 -91.000 TYR 182 0.840 6.506 15.260 -11.007 -99.200 -91.000