============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 34.783 27.029 43.386 -99.200 -91.000 HIS 30 0.900 51.494 0.745 45.775 -99.200 -91.000 TYR 36 0.840 47.285 0.116 47.738 -99.200 -91.000 TYR 38 0.840 42.050 4.815 50.569 -99.200 -91.000 TRP 39 1.040 37.668 9.690 44.434 -99.200 -91.000 TRP6 39 1.020 38.126 11.917 43.799 -99.200 -91.000 TYR 40 0.840 38.626 10.076 52.747 -99.200 -91.000 HIS 49 0.900 30.146 10.552 53.384 -99.200 -91.000 TYR 53 0.840 36.945 -0.073 49.911 -99.200 -91.000 HIS 54 0.900 42.520 -0.721 48.692 -99.200 -91.000 PHE 66 1.000 28.175 9.580 44.991 -99.200 -91.000 PHE 75 1.000 44.465 8.833 40.695 -99.200 -91.000 TYR 90 0.840 31.574 14.751 45.981 -99.200 -91.000 TYR 91 0.840 38.088 17.977 51.026 -99.200 -91.000 HIS 94 0.900 49.509 9.900 49.547 -99.200 -91.000 PHE 102 1.000 43.839 14.093 53.644 -99.200 -91.000 PHE 122 1.000 16.884 44.988 54.679 -99.200 -91.000 PHE 139 1.000 20.340 40.815 53.940 -99.200 -91.000 PHE 143 1.000 23.065 35.778 43.176 -99.200 -91.000 TYR 144 0.840 22.676 28.596 38.263 -99.200 -91.000 TRP 152 1.040 27.024 49.060 48.447 -99.200 -91.000 TRP6 152 1.020 25.086 49.560 49.697 -99.200 -91.000 TRP 167 1.040 29.600 36.324 46.976 -99.200 -91.000 TRP6 167 1.020 31.525 37.413 47.813 -99.200 -91.000 TYR 177 0.840 25.461 29.695 43.520 -99.200 -91.000 TYR 190 0.840 23.031 56.987 57.076 -99.200 -91.000 HIS 193 0.900 27.532 62.185 50.983 -99.200 -91.000 TYR 196 0.840 23.608 56.750 52.107 -99.200 -91.000 HIS 202 0.900 22.406 36.999 38.074 -99.200 -91.000 PHE 213 1.000 18.970 54.104 52.934 -99.200 -91.000