============================================================================= 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. HIS 1 0.900 24.854 88.633 80.935 -99.200 -91.000 PHE 18 1.000 15.305 94.085 100.346 -99.200 -91.000 TYR 23 0.840 13.863 88.657 111.885 -99.200 -91.000 PHE 51 1.000 23.629 89.921 111.959 -99.200 -91.000 TYR 62 0.840 29.014 100.583 99.790 -99.200 -91.000 TYR 75 0.840 14.000 98.224 102.677 -99.200 -91.000 HIS 95 0.900 38.394 99.667 101.709 -99.200 -91.000 TYR 121 0.840 34.898 87.919 87.647 -99.200 -91.000 TYR 128 0.840 38.293 77.660 77.946 -99.200 -91.000 PHE 138 1.000 42.446 81.347 95.577 -99.200 -91.000 PHE 143 1.000 45.251 86.075 99.143 -99.200 -91.000 TYR 145 0.840 35.519 85.944 103.702 -99.200 -91.000 PHE 146 1.000 43.993 84.007 106.018 -99.200 -91.000 HIS 147 0.900 45.324 90.974 104.060 -99.200 -91.000 HIS 155 0.900 39.680 97.788 117.202 -99.200 -91.000 TYR 171 0.840 30.980 72.191 103.283 -99.200 -91.000 TYR 180 0.840 32.284 81.261 94.395 -99.200 -91.000 PHE 190 1.000 39.981 83.101 108.106 -99.200 -91.000 TRP 214 1.040 16.310 86.339 91.820 -99.200 -91.000 TRP6 214 1.020 17.349 85.997 89.721 -99.200 -91.000 PHE 222 1.000 26.233 81.080 88.023 -99.200 -91.000 PHE 225 1.000 21.194 80.709 91.108 -99.200 -91.000 TYR 238 0.840 12.278 85.386 103.039 -99.200 -91.000 TYR 244 0.840 25.032 84.912 107.295 -99.200 -91.000 TYR 246 0.840 22.382 78.665 116.314 -99.200 -91.000 TYR 254 0.840 29.265 73.165 124.572 -99.200 -91.000 HIS 261 0.900 26.783 72.606 105.090 -99.200 -91.000