============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 9 1.000 -10.282 42.091 80.977 -99.200 -91.000 TRP 16 1.040 -10.499 29.908 80.697 -99.200 -91.000 TRP6 16 1.020 -10.962 31.400 78.926 -99.200 -91.000 TYR 21 0.840 -11.001 22.730 85.095 -99.200 -91.000 TYR 22 0.840 -3.884 21.975 81.527 -99.200 -91.000 PHE 29 1.000 1.942 10.455 83.639 -99.200 -91.000 TYR 36 0.840 2.821 -0.086 84.641 -99.200 -91.000 HIS 46 0.900 11.766 12.256 82.843 -99.200 -91.000 PHE 52 1.000 5.895 15.038 72.030 -99.200 -91.000 TYR 54 0.840 5.325 23.856 78.493 -99.200 -91.000 HIS 91 0.900 -10.689 22.119 80.829 -99.200 -91.000 TYR 110 0.840 -10.942 52.296 81.129 -99.200 -91.000 PHE 121 1.000 -11.214 21.990 68.114 -99.200 -91.000 HIS 122 0.900 -8.495 22.789 75.782 -99.200 -91.000 PHE 136 1.000 -13.176 39.571 77.042 -99.200 -91.000 TYR 150 0.840 1.311 40.589 75.732 -99.200 -91.000 PHE 157 1.000 -7.353 46.191 69.626 -99.200 -91.000 PHE 164 1.000 -2.692 46.011 76.266 -99.200 -91.000 TRP 183 1.040 0.076 52.191 81.739 -99.200 -91.000 TRP6 183 1.020 0.838 53.566 83.457 -99.200 -91.000 TYR 186 0.840 1.007 38.599 89.851 -99.200 -91.000 TYR 189 0.840 -6.843 29.923 89.663 -99.200 -91.000 HIS 192 0.900 8.610 38.132 88.306 -99.200 -91.000 TRP 210 1.040 -8.971 41.870 87.672 -99.200 -91.000 TRP6 210 1.020 -9.926 40.243 86.275 -99.200 -91.000