============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 44.651 -10.982 -33.164 -99.200 -91.000 TYR 14 0.840 51.027 -11.977 -21.576 -99.200 -91.000 TYR 22 0.840 35.782 -28.481 -17.111 -99.200 -91.000 HIS 23 0.900 41.025 -22.835 -20.707 -99.200 -91.000 PHE 24 1.000 39.545 -23.875 -13.792 -99.200 -91.000 TRP 34 1.040 54.427 -16.397 -6.585 -99.200 -91.000 TRP6 34 1.020 52.703 -16.788 -5.027 -99.200 -91.000 HIS 40 0.900 35.501 -15.456 -12.112 -99.200 -91.000 TYR 42 0.840 40.087 -22.718 -4.545 -99.200 -91.000 PHE 64 1.000 50.195 -30.148 -19.727 -99.200 -91.000 HIS 73 0.900 42.226 -8.378 -2.200 -99.200 -91.000 TYR 76 0.840 35.865 -13.499 -5.050 -99.200 -91.000 TRP 121 1.040 43.651 -21.636 -25.412 -99.200 -91.000 TRP6 121 1.020 45.223 -20.968 -23.760 -99.200 -91.000 TYR 131 0.840 33.778 -22.984 -24.950 -99.200 -91.000 TYR 152 0.840 27.990 -4.840 -17.476 -99.200 -91.000 PHE 161 1.000 40.159 -2.766 -16.969 -99.200 -91.000 TYR 165 0.840 36.385 -2.999 -29.863 -99.200 -91.000 TRP 193 1.040 31.852 -8.738 -13.486 -99.200 -91.000 TRP6 193 1.020 29.928 -7.436 -13.918 -99.200 -91.000 TYR 206 0.840 37.937 -7.290 -19.497 -99.200 -91.000 TYR 212 0.840 42.897 -5.741 -6.503 -99.200 -91.000 TRP 215 1.040 46.810 -9.074 -1.330 -99.200 -91.000 TRP6 215 1.020 46.264 -10.565 -3.065 -99.200 -91.000