============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 18 1.040 26.549 6.322 35.300 -99.200 -91.000 TRP6 18 1.020 26.796 4.010 35.043 -99.200 -91.000 TYR 39 0.840 32.434 0.027 21.650 -99.200 -91.000 TRP 60 1.040 32.628 13.269 10.487 -99.200 -91.000 TRP6 60 1.020 33.388 11.176 11.282 -99.200 -91.000 TYR 68 0.840 34.910 -4.674 13.263 -99.200 -91.000 HIS 70 0.900 36.274 -8.853 15.267 -99.200 -91.000 TYR 75 0.840 32.361 -0.552 13.083 -99.200 -91.000 HIS 88 0.900 27.272 4.705 3.146 -99.200 -91.000 TRP 101 1.040 25.181 4.065 29.698 -99.200 -91.000 TRP6 101 1.020 23.487 2.956 30.909 -99.200 -91.000 PHE 113 1.000 32.132 15.779 24.300 -99.200 -91.000 TYR 123 0.840 23.341 23.655 11.216 -99.200 -91.000 PHE 129 1.000 26.469 13.135 14.283 -99.200 -91.000 TYR 130 0.840 27.448 19.528 8.906 -99.200 -91.000 HIS 135 0.900 27.580 29.983 24.193 -99.200 -91.000 TYR 145 0.840 26.922 18.668 25.636 -99.200 -91.000 PHE 149 1.000 26.416 22.925 14.810 -99.200 -91.000 TYR 154 0.840 26.096 33.259 11.532 -99.200 -91.000 TYR 158 0.840 33.691 29.665 15.931 -99.200 -91.000 TYR 168 0.840 21.020 12.702 17.754 -99.200 -91.000