============================================================================= 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. HIS 30 0.900 2.793 24.990 100.263 -99.200 -91.000 TYR 36 0.840 2.967 20.071 97.799 -99.200 -91.000 TYR 38 0.840 3.465 11.615 96.037 -99.200 -91.000 TRP 39 1.040 -5.453 8.678 96.283 -99.200 -91.000 TRP6 39 1.020 -6.444 7.319 97.946 -99.200 -91.000 PHE 40 1.000 2.762 6.171 96.987 -99.200 -91.000 TYR 53 0.840 1.627 13.194 88.950 -99.200 -91.000 PHE 66 1.000 -6.770 2.639 88.350 -99.200 -91.000 PHE 75 1.000 -7.350 15.211 100.125 -99.200 -91.000 TYR 90 0.840 -6.312 0.618 94.755 -99.200 -91.000 TYR 91 0.840 -0.939 0.743 101.899 -99.200 -91.000 HIS 95 0.900 3.756 14.955 98.489 -99.200 -91.000 TYR 98 0.840 10.287 16.509 105.552 -99.200 -91.000 PHE 100 1.000 7.648 13.709 103.419 -99.200 -91.000 PHE 102 1.000 3.423 5.660 103.407 -99.200 -91.000 PHE 122 1.000 0.418 -32.787 93.193 -99.200 -91.000 PHE 139 1.000 -0.105 -27.705 95.178 -99.200 -91.000 PHE 143 1.000 -10.322 -21.936 97.052 -99.200 -91.000 TYR 144 0.840 -15.653 -15.193 94.655 -99.200 -91.000 TRP 152 1.040 -5.153 -33.266 104.455 -99.200 -91.000 TRP6 152 1.020 -3.907 -34.285 102.718 -99.200 -91.000 TRP 167 1.040 -6.750 -20.272 102.776 -99.200 -91.000 TRP6 167 1.020 -5.970 -21.011 104.879 -99.200 -91.000 TYR 177 0.840 -10.119 -15.063 97.176 -99.200 -91.000 TYR 190 0.840 3.783 -42.258 102.089 -99.200 -91.000 HIS 193 0.900 -1.628 -45.265 108.738 -99.200 -91.000 TYR 196 0.840 -1.399 -41.706 103.208 -99.200 -91.000 PHE 208 1.000 -1.586 -40.315 98.032 -99.200 -91.000