============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 3 1.000 31.125 34.255 9.128 -99.200 -91.000 PHE 17 1.000 33.190 34.308 -0.887 -99.200 -91.000 HIS 25 0.900 24.903 40.204 0.269 -99.200 -91.000 TRP 26 1.040 23.724 37.132 6.412 -99.200 -91.000 TRP6 26 1.020 25.336 35.445 6.000 -99.200 -91.000 HIS 33 0.900 28.347 50.643 22.870 -99.200 -91.000 TYR 39 0.840 30.559 41.326 17.587 -99.200 -91.000 HIS 49 0.900 16.188 33.270 10.758 -99.200 -91.000 PHE 54 1.000 27.681 29.114 15.532 -99.200 -91.000 PHE 71 1.000 40.429 39.340 23.901 -99.200 -91.000 TYR 80 0.840 29.336 31.316 20.257 -99.200 -91.000 PHE 81 1.000 31.667 30.344 12.756 -99.200 -91.000 TYR 100 0.840 50.915 54.229 -1.971 -99.200 -91.000 HIS 119 0.900 40.972 35.203 -10.279 -99.200 -91.000 TYR 121 0.840 35.524 42.900 -12.380 -99.200 -91.000 PHE 130 1.000 32.066 55.653 -5.175 -99.200 -91.000 TYR 136 0.840 38.471 58.418 -6.793 -99.200 -91.000 TYR 138 0.840 47.091 53.069 -13.472 -99.200 -91.000 HIS 144 0.900 54.524 45.997 -11.822 -99.200 -91.000 TYR 145 0.840 47.600 49.718 -4.715 -99.200 -91.000 TYR 162 0.840 22.116 66.873 4.184 -99.200 -91.000 TYR 187 0.840 22.960 66.204 -9.732 -99.200 -91.000 TYR 189 0.840 31.866 61.684 -3.084 -99.200 -91.000 PHE 233 1.000 27.613 41.078 -3.249 -99.200 -91.000 TYR 240 0.840 36.946 31.470 -1.636 -99.200 -91.000 TYR 243 0.840 40.413 29.983 4.322 -99.200 -91.000