============================================================================= 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 29 1.000 130.661 -9.546 6.613 -99.200 -91.000 TYR 32 0.840 136.809 -6.997 1.805 -99.200 -91.000 TRP 36 1.040 132.446 -7.462 15.601 -99.200 -91.000 TRP6 36 1.020 130.169 -6.891 15.432 -99.200 -91.000 TRP 47 1.040 140.622 -3.333 17.032 -99.200 -91.000 TRP6 47 1.020 142.547 -4.322 17.995 -99.200 -91.000 TYR 58 0.840 145.537 -9.895 13.969 -99.200 -91.000 TYR 59 0.840 139.998 -11.324 20.135 -99.200 -91.000 PHE 67 1.000 133.992 -7.989 24.479 -99.200 -91.000 TYR 79 0.840 127.957 -15.404 13.825 -99.200 -91.000 TYR 92 0.840 130.070 -3.346 21.789 -99.200 -91.000 TYR 93 0.840 129.116 2.418 15.056 -99.200 -91.000 TYR 102 0.840 131.581 0.541 1.875 -99.200 -91.000 TRP 103 1.040 130.833 3.670 9.892 -99.200 -91.000 TRP6 103 1.020 132.733 4.789 9.062 -99.200 -91.000 TYR 122 0.840 104.489 13.599 32.677 -99.200 -91.000 TYR 145 0.840 114.264 8.147 28.015 -99.200 -91.000 PHE 146 1.000 118.619 1.768 32.086 -99.200 -91.000 TRP 154 1.040 108.285 17.856 18.009 -99.200 -91.000 TRP6 154 1.020 106.568 18.556 19.470 -99.200 -91.000 HIS 164 0.900 116.068 24.327 18.874 -99.200 -91.000 PHE 166 1.000 116.169 21.641 24.351 -99.200 -91.000 TYR 175 0.840 119.606 7.570 30.537 -99.200 -91.000 TRP 188 1.040 99.005 23.950 18.321 -99.200 -91.000 TRP6 188 1.020 98.845 25.170 20.342 -99.200 -91.000 HIS 199 0.900 112.403 3.426 25.867 -99.200 -91.000