============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 21 0.840 33.740 66.249 116.289 -99.200 -91.000 PHE 32 1.000 26.145 39.483 130.035 -99.200 -91.000 TYR 34 0.840 30.339 37.148 127.844 -99.200 -91.000 TYR 42 0.840 36.980 32.163 117.973 -99.200 -91.000 PHE 51 1.000 35.420 38.996 126.989 -99.200 -91.000 HIS 56 0.900 27.202 48.303 126.553 -99.200 -91.000 TYR 77 0.840 43.568 38.330 128.327 -99.200 -91.000 TYR 85 0.840 34.512 28.910 139.195 -99.200 -91.000 TYR 87 0.840 37.318 21.738 131.328 -99.200 -91.000 PHE 90 1.000 30.679 25.156 133.861 -99.200 -91.000 TYR 103 0.840 32.395 32.956 123.506 -99.200 -91.000 HIS 111 0.900 30.563 23.552 121.062 -99.200 -91.000 PHE 114 1.000 31.993 21.460 130.338 -99.200 -91.000 PHE 119 1.000 21.324 27.816 128.869 -99.200 -91.000 HIS 124 0.900 21.315 35.612 130.642 -99.200 -91.000 TYR 156 0.840 25.974 30.522 113.540 -99.200 -91.000 HIS 159 0.900 24.634 35.102 111.962 -99.200 -91.000 TYR 160 0.840 26.211 39.177 116.318 -99.200 -91.000 TRP 199 1.040 39.508 20.166 118.972 -99.200 -91.000 TRP6 199 1.020 37.499 20.704 117.847 -99.200 -91.000 TYR 217 0.840 32.881 30.567 109.485 -99.200 -91.000 TYR 224 0.840 25.533 35.710 106.565 -99.200 -91.000 TYR 236 0.840 31.922 12.945 95.467 -99.200 -91.000 TYR 238 0.840 38.660 11.549 96.762 -99.200 -91.000 PHE 246 1.000 42.019 15.116 105.035 -99.200 -91.000 TRP 255 1.040 27.129 23.307 100.768 -99.200 -91.000 TRP6 255 1.020 29.363 23.324 101.566 -99.200 -91.000 PHE 259 1.000 18.842 28.701 99.356 -99.200 -91.000 HIS 266 0.900 28.459 26.646 92.259 -99.200 -91.000 TYR 271 0.840 39.038 20.087 108.178 -99.200 -91.000 PHE 279 1.000 30.701 33.444 102.284 -99.200 -91.000 TYR 296 0.840 39.836 34.476 113.097 -99.200 -91.000 TYR 297 0.840 42.545 40.000 112.387 -99.200 -91.000 HIS 308 0.900 31.114 51.091 85.828 -99.200 -91.000 PHE 317 1.000 44.110 58.125 108.024 -99.200 -91.000 PHE 325 1.000 37.260 38.192 116.032 -99.200 -91.000 HIS 331 0.900 23.110 40.667 119.384 -99.200 -91.000 TYR 360 0.840 28.730 15.942 107.433 -99.200 -91.000 TRP 373 1.040 14.129 22.002 108.373 -99.200 -91.000 TRP6 373 1.020 15.750 20.401 107.738 -99.200 -91.000 TYR 375 0.840 15.602 28.759 111.266 -99.200 -91.000 TYR 381 0.840 17.352 34.825 106.888 -99.200 -91.000