============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 7 1.000 12.575 24.502 -6.346 -99.200 -91.000 HIS 8 0.900 6.301 26.376 -12.288 -99.200 -91.000 TYR 13 0.840 19.289 36.314 -15.744 -99.200 -91.000 PHE 17 1.000 16.349 27.039 -10.804 -99.200 -91.000 PHE 26 1.000 27.845 18.057 -5.125 -99.200 -91.000 TYR 30 0.840 21.025 33.414 2.823 -99.200 -91.000 PHE 31 1.000 14.664 28.775 0.893 -99.200 -91.000 PHE 33 1.000 14.561 40.705 4.031 -99.200 -91.000 TRP 50 1.040 32.251 29.532 2.127 -99.200 -91.000 TRP6 50 1.020 30.122 28.956 2.979 -99.200 -91.000 TYR 58 0.840 39.651 22.677 -2.426 -99.200 -91.000 PHE 66 1.000 18.746 36.432 -2.118 -99.200 -91.000 TYR 82 0.840 20.107 42.125 -2.074 -99.200 -91.000 PHE 86 1.000 25.419 41.080 -2.100 -99.200 -91.000 HIS 87 0.900 30.775 34.417 -7.624 -99.200 -91.000 PHE 97 1.000 2.717 37.492 -1.190 -99.200 -91.000 TYR 107 0.840 14.828 23.424 -0.263 -99.200 -91.000 TYR 110 0.840 8.933 27.892 11.314 -99.200 -91.000 PHE 111 1.000 5.979 33.539 2.418 -99.200 -91.000 TYR 123 0.840 7.382 44.327 3.736 -99.200 -91.000 HIS 127 0.900 16.522 36.196 6.561 -99.200 -91.000 PHE 130 1.000 20.901 26.651 9.742 -99.200 -91.000 PHE 131 1.000 25.039 30.560 2.440 -99.200 -91.000 TYR 132 0.840 18.312 25.309 3.852 -99.200 -91.000 PHE 140 1.000 19.624 18.656 4.031 -99.200 -91.000 TYR 148 0.840 29.907 24.084 8.600 -99.200 -91.000 HIS 160 0.900 28.607 16.993 3.083 -99.200 -91.000 TYR 164 0.840 26.493 12.528 -5.986 -99.200 -91.000