============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 16 0.840 74.127 1.848 45.983 -99.200 -91.000 HIS 23 0.900 76.216 -16.947 44.304 -99.200 -91.000 TYR 32 0.840 73.993 -10.460 38.962 -99.200 -91.000 TYR 35 0.840 67.923 2.454 44.881 -99.200 -91.000 HIS 46 0.900 56.985 3.240 34.988 -99.200 -91.000 PHE 49 1.000 64.962 -0.863 28.944 -99.200 -91.000 TYR 51 0.840 66.291 -5.521 32.958 -99.200 -91.000 TYR 61 0.840 81.424 2.997 41.723 -99.200 -91.000 TRP 71 1.040 86.726 8.469 29.381 -99.200 -91.000 TRP6 71 1.020 86.054 9.569 31.364 -99.200 -91.000 TYR 80 0.840 86.697 3.348 25.174 -99.200 -91.000 PHE 102 1.000 76.222 10.873 34.366 -99.200 -91.000 PHE 106 1.000 69.943 6.309 40.712 -99.200 -91.000 TYR 135 0.840 93.337 11.994 56.120 -99.200 -91.000 PHE 146 1.000 85.509 17.294 47.199 -99.200 -91.000 PHE 147 1.000 88.973 14.565 49.799 -99.200 -91.000 PHE 155 1.000 87.039 19.909 51.323 -99.200 -91.000 TRP 159 1.040 95.642 15.379 45.708 -99.200 -91.000 TRP6 159 1.020 95.009 13.154 45.215 -99.200 -91.000 TYR 161 0.840 97.831 11.504 54.936 -99.200 -91.000 PHE 170 1.000 94.677 7.412 47.329 -99.200 -91.000 TYR 188 0.840 91.901 3.844 56.159 -99.200 -91.000 TYR 190 0.840 86.646 4.149 52.281 -99.200 -91.000 TYR 199 0.840 74.371 -1.724 53.017 -99.200 -91.000 TYR 220 0.840 75.094 7.367 44.043 -99.200 -91.000 TRP 254 1.040 66.777 -2.781 48.056 -99.200 -91.000 TRP6 254 1.020 67.221 -5.105 48.179 -99.200 -91.000 TRP 255 1.040 70.909 3.044 52.364 -99.200 -91.000 TRP6 255 1.020 70.766 2.560 50.055 -99.200 -91.000 TYR 256 0.840 67.852 4.279 56.639 -99.200 -91.000