============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 20 0.840 121.613 8.358 58.047 -99.200 -91.000 PHE 33 1.000 109.428 5.926 41.512 -99.200 -91.000 HIS 49 0.900 118.483 19.463 55.401 -99.200 -91.000 PHE 54 1.000 126.918 10.936 58.177 -99.200 -91.000 TYR 66 0.840 109.242 3.769 38.046 -99.200 -91.000 PHE 94 1.000 98.186 -13.941 41.384 -99.200 -91.000 TYR 110 0.840 112.320 6.587 32.060 -99.200 -91.000 PHE 115 1.000 124.108 -6.577 40.921 -99.200 -91.000 HIS 129 0.900 106.568 -11.361 37.758 -99.200 -91.000 PHE 130 1.000 112.994 -5.918 38.073 -99.200 -91.000 HIS 138 0.900 121.169 -15.680 33.165 -99.200 -91.000 PHE 153 1.000 124.835 -20.484 60.373 -99.200 -91.000 PHE 156 1.000 121.612 -15.134 65.786 -99.200 -91.000 HIS 160 0.900 128.932 -21.657 71.644 -99.200 -91.000 PHE 161 1.000 132.685 -21.477 68.625 -99.200 -91.000 HIS 176 0.900 113.591 -15.432 55.503 -99.200 -91.000 PHE 196 1.000 135.661 -23.855 66.984 -99.200 -91.000 HIS 213 0.900 118.973 -16.386 68.023 -99.200 -91.000 TRP 218 1.040 110.410 -12.476 60.701 -99.200 -91.000 TRP6 218 1.020 109.875 -14.773 60.578 -99.200 -91.000 TYR 231 0.840 114.020 0.278 60.842 -99.200 -91.000 PHE 232 1.000 118.089 1.019 62.497 -99.200 -91.000 TYR 245 0.840 127.265 -3.623 39.110 -99.200 -91.000 PHE 258 1.000 119.409 -18.808 35.287 -99.200 -91.000 HIS 262 0.900 127.968 -23.775 39.917 -99.200 -91.000 TYR 263 0.840 124.782 -24.962 45.790 -99.200 -91.000 TYR 269 0.840 117.030 -15.170 39.084 -99.200 -91.000