============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 4 0.840 34.169 16.085 -17.215 -99.200 -91.000 TYR 8 0.840 37.610 19.539 -22.906 -99.200 -91.000 HIS 9 0.900 35.352 18.369 -27.408 -99.200 -91.000 TYR 18 0.840 40.626 34.924 -22.141 -99.200 -91.000 PHE 33 1.000 35.182 37.241 -20.413 -99.200 -91.000 PHE 40 1.000 38.134 41.966 -8.712 -99.200 -91.000 PHE 57 1.000 34.877 42.545 -22.489 -99.200 -91.000 PHE 64 1.000 46.823 42.188 -23.636 -99.200 -91.000 HIS 65 0.900 50.718 47.012 -29.243 -99.200 -91.000 PHE 96 1.000 51.758 42.152 -20.419 -99.200 -91.000 PHE 98 1.000 48.675 38.030 -19.110 -99.200 -91.000 PHE 101 1.000 44.207 29.223 -11.641 -99.200 -91.000 PHE 102 1.000 39.211 32.256 -18.205 -99.200 -91.000 TRP 111 1.040 28.808 25.052 -20.250 -99.200 -91.000 TRP6 111 1.020 29.043 24.703 -17.935 -99.200 -91.000 TYR 118 0.840 45.369 39.582 -14.243 -99.200 -91.000 HIS 119 0.900 51.652 35.072 -10.979 -99.200 -91.000 HIS 121 0.900 53.287 32.401 -15.038 -99.200 -91.000