============================================================================= 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. PHE 3 1.000 41.824 -4.053 14.693 -99.200 -91.000 TYR 21 0.840 21.896 1.509 -2.610 -99.200 -91.000 TRP 31 1.040 30.357 10.203 1.367 -99.200 -91.000 TRP6 31 1.020 29.508 11.233 -0.626 -99.200 -91.000 TRP 41 1.040 35.803 -0.197 5.826 -99.200 -91.000 TRP6 41 1.020 35.014 -1.772 4.213 -99.200 -91.000 PHE 43 1.000 41.019 -3.397 9.316 -99.200 -91.000 PHE 70 1.000 30.084 -11.793 -4.096 -99.200 -91.000 TRP 82 1.040 41.246 -7.575 1.428 -99.200 -91.000 TRP6 82 1.020 41.865 -6.441 -0.573 -99.200 -91.000 TYR 117 0.840 56.557 0.378 -2.510 -99.200 -91.000 TRP 123 1.040 44.808 2.837 1.009 -99.200 -91.000 TRP6 123 1.020 42.819 3.981 0.270 -99.200 -91.000 TYR 139 0.840 72.082 18.117 12.994 -99.200 -91.000 TRP 154 1.040 64.511 26.863 5.172 -99.200 -91.000 TRP6 154 1.020 64.060 27.455 2.907 -99.200 -91.000 TRP 167 1.040 55.503 20.072 9.108 -99.200 -91.000 TRP6 167 1.020 55.791 20.671 6.811 -99.200 -91.000 TYR 170 0.840 45.221 15.757 4.799 -99.200 -91.000 TYR 190 0.840 60.481 8.856 -7.300 -99.200 -91.000 TRP 209 1.040 57.048 12.122 2.420 -99.200 -91.000 TRP6 209 1.020 59.367 12.046 1.959 -99.200 -91.000 PHE 210 1.000 56.944 3.018 7.872 -99.200 -91.000 PHE 211 1.000 56.285 10.825 10.233 -99.200 -91.000 PHE 241 1.000 73.314 10.333 1.860 -99.200 -91.000 TRP 251 1.040 63.732 13.421 10.322 -99.200 -91.000 TRP6 251 1.020 63.979 15.740 9.823 -99.200 -91.000