============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 7 1.000 14.282 16.384 20.763 -99.200 -91.000 PHE 16 1.000 16.024 21.283 20.086 -99.200 -91.000 PHE 31 1.000 27.779 22.242 13.254 -99.200 -91.000 HIS 32 0.900 26.173 23.744 21.367 -99.200 -91.000 TYR 34 0.840 31.725 23.005 28.656 -99.200 -91.000 PHE 36 1.000 26.878 31.049 25.673 -99.200 -91.000 TRP 40 1.040 23.001 28.956 17.115 -99.200 -91.000 TRP6 40 1.020 25.228 29.741 17.334 -99.200 -91.000 PHE 46 1.000 17.955 29.073 13.869 -99.200 -91.000 TYR 49 0.840 23.687 33.659 9.422 -99.200 -91.000 TYR 54 0.840 24.347 30.993 2.704 -99.200 -91.000 TYR 57 0.840 19.753 22.204 7.391 -99.200 -91.000 TYR 61 0.840 29.294 17.421 19.456 -99.200 -91.000 PHE 64 1.000 28.519 20.000 25.179 -99.200 -91.000 TYR 73 0.840 28.053 10.921 15.874 -99.200 -91.000 HIS 82 0.900 34.670 10.144 19.272 -99.200 -91.000 PHE 86 1.000 26.581 15.939 15.594 -99.200 -91.000 TYR 90 0.840 23.070 18.543 12.158 -99.200 -91.000 TYR 114 0.840 35.011 13.429 7.152 -99.200 -91.000 TRP 128 1.040 38.618 22.746 23.132 -99.200 -91.000 TRP6 128 1.020 36.717 21.321 23.245 -99.200 -91.000 TRP 146 1.040 39.546 35.933 18.917 -99.200 -91.000 TRP6 146 1.020 40.127 34.291 17.333 -99.200 -91.000 HIS 151 0.900 41.109 39.821 28.220 -99.200 -91.000 TYR 161 0.840 44.086 29.808 15.598 -99.200 -91.000 HIS 178 0.900 35.367 32.570 23.564 -99.200 -91.000 TYR 181 0.840 27.665 33.248 19.753 -99.200 -91.000 PHE 188 1.000 28.193 36.235 14.823 -99.200 -91.000 PHE 195 1.000 32.794 34.324 4.985 -99.200 -91.000