============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 34 1.040 0.185 17.601 -6.017 -99.200 -91.000 TRP6 34 1.020 -1.648 18.290 -4.682 -99.200 -91.000 TYR 35 0.840 5.521 14.167 -1.448 -99.200 -91.000 HIS 38 0.900 -2.246 3.586 0.600 -99.200 -91.000 TYR 48 0.840 9.132 13.952 -11.210 -99.200 -91.000 PHE 61 1.000 -3.262 8.228 -8.280 -99.200 -91.000 TYR 85 0.840 -4.344 10.894 -2.346 -99.200 -91.000 TYR 86 0.840 -0.090 14.892 4.127 -99.200 -91.000 TRP 90 1.040 12.832 27.032 -1.218 -99.200 -91.000 TRP6 90 1.020 14.017 25.980 0.537 -99.200 -91.000 PHE 98 1.000 5.746 18.052 3.453 -99.200 -91.000 PHE 119 1.000 -22.687 15.032 28.055 -99.200 -91.000 PHE 140 1.000 -17.182 11.556 12.282 -99.200 -91.000 TYR 141 0.840 -18.441 6.486 4.466 -99.200 -91.000 TRP 149 1.040 -13.862 23.188 20.889 -99.200 -91.000 TRP6 149 1.020 -15.413 22.519 22.548 -99.200 -91.000 TYR 173 0.840 -14.318 6.299 9.729 -99.200 -91.000 TYR 178 0.840 -12.191 15.106 25.929 -99.200 -91.000 TRP 186 1.040 -18.475 26.991 32.783 -99.200 -91.000 TRP6 186 1.020 -19.536 26.647 30.697 -99.200 -91.000 HIS 189 0.900 -15.488 33.805 27.654 -99.200 -91.000 TYR 192 0.840 -16.159 29.045 26.588 -99.200 -91.000 HIS 198 0.900 -19.273 14.386 7.488 -99.200 -91.000