============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 26.058 1.909 -11.896 -99.200 -91.000 PHE 12 1.000 10.696 5.021 -12.997 -99.200 -91.000 HIS 18 0.900 6.237 -3.896 -4.073 -99.200 -91.000 TYR 26 0.840 20.038 9.722 10.228 -99.200 -91.000 TYR 45 0.840 4.092 4.267 10.438 -99.200 -91.000 PHE 46 1.000 9.945 -1.232 11.965 -99.200 -91.000 TYR 58 0.840 19.659 -0.790 22.958 -99.200 -91.000 PHE 67 1.000 7.369 8.141 10.972 -99.200 -91.000 TRP 71 1.040 8.195 13.527 9.467 -99.200 -91.000 TRP6 71 1.020 9.925 12.177 8.529 -99.200 -91.000 TYR 84 0.840 8.845 3.539 -8.397 -99.200 -91.000 PHE 94 1.000 15.633 -2.153 -11.427 -99.200 -91.000 PHE 99 1.000 17.032 9.817 -3.079 -99.200 -91.000 HIS 102 0.900 17.159 18.950 0.378 -99.200 -91.000 PHE 113 1.000 26.465 -6.075 -9.593 -99.200 -91.000 PHE 122 1.000 25.545 -3.759 -13.874 -99.200 -91.000 TRP 127 1.040 17.439 0.991 -17.474 -99.200 -91.000 TRP6 127 1.020 17.221 1.247 -15.126 -99.200 -91.000 PHE 128 1.000 21.803 0.625 -13.971 -99.200 -91.000 TYR 138 0.840 25.482 11.406 -5.642 -99.200 -91.000