============================================================================= 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 8 0.840 10.643 -15.094 -8.054 -99.200 -91.000 HIS 33 0.900 -6.169 -13.494 1.670 -99.200 -91.000 PHE 36 1.000 -3.471 -18.273 4.029 -99.200 -91.000 PHE 48 1.000 -11.415 -15.041 0.251 -99.200 -91.000 TYR 53 0.840 -17.104 -19.997 2.945 -99.200 -91.000 TYR 55 0.840 -17.897 -26.528 -0.448 -99.200 -91.000 TYR 60 0.840 -12.498 -32.861 -0.831 -99.200 -91.000 TYR 63 0.840 -14.243 -20.783 -8.436 -99.200 -91.000 PHE 85 1.000 -4.922 -23.441 0.961 -99.200 -91.000 TRP 104 1.040 -1.683 -31.254 2.926 -99.200 -91.000 TRP6 104 1.020 -2.891 -29.457 1.980 -99.200 -91.000 TYR 107 0.840 -0.428 -24.797 2.833 -99.200 -91.000 HIS 111 0.900 0.708 -27.120 16.838 -99.200 -91.000 TYR 115 0.840 1.983 -24.329 7.033 -99.200 -91.000 TRP 124 1.040 -8.228 -18.828 10.537 -99.200 -91.000 TRP6 124 1.020 -10.216 -19.819 9.715 -99.200 -91.000 PHE 131 1.000 -13.066 -10.484 2.164 -99.200 -91.000 PHE 132 1.000 -17.474 -14.282 3.253 -99.200 -91.000