============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 6 0.900 27.414 30.453 119.477 -99.200 -91.000 PHE 9 1.000 31.682 22.492 127.574 -99.200 -91.000 TYR 31 0.840 21.825 19.873 130.779 -99.200 -91.000 PHE 41 1.000 19.876 26.682 123.691 -99.200 -91.000 TRP 43 1.040 27.639 33.146 122.418 -99.200 -91.000 TRP6 43 1.020 26.054 33.519 120.703 -99.200 -91.000 TYR 51 0.840 15.637 39.997 120.192 -99.200 -91.000 TYR 54 0.840 11.971 29.135 122.551 -99.200 -91.000 PHE 56 1.000 16.168 26.566 119.779 -99.200 -91.000 PHE 61 1.000 20.488 18.996 121.886 -99.200 -91.000 TYR 63 0.840 31.001 12.302 123.835 -99.200 -91.000 TRP 79 1.040 14.534 17.408 122.142 -99.200 -91.000 TRP6 79 1.020 12.644 17.073 120.763 -99.200 -91.000 TYR 97 0.840 13.435 9.185 126.513 -99.200 -91.000 HIS 99 0.900 13.097 12.545 117.733 -99.200 -91.000 TYR 100 0.840 18.605 5.726 121.781 -99.200 -91.000 TRP 106 1.040 36.493 4.485 122.210 -99.200 -91.000 TRP6 106 1.020 36.207 3.970 119.926 -99.200 -91.000 TRP 119 1.040 6.962 32.104 115.917 -99.200 -91.000 TRP6 119 1.020 9.059 33.178 116.089 -99.200 -91.000 TYR 121 0.840 4.336 33.585 124.987 -99.200 -91.000 PHE 135 1.000 11.639 21.552 119.356 -99.200 -91.000 PHE 138 1.000 21.583 17.072 125.348 -99.200 -91.000 PHE 140 1.000 25.114 15.123 130.436 -99.200 -91.000 TYR 143 0.840 25.388 2.575 129.190 -99.200 -91.000 HIS 151 0.900 33.499 8.357 129.834 -99.200 -91.000 TYR 155 0.840 31.464 20.978 122.322 -99.200 -91.000 TYR 158 0.840 21.826 27.965 119.055 -99.200 -91.000 PHE 162 1.000 16.638 34.545 120.437 -99.200 -91.000 PHE 175 1.000 21.132 30.657 147.497 -99.200 -91.000 PHE 181 1.000 11.559 27.995 157.108 -99.200 -91.000 TYR 193 0.840 24.348 32.911 135.563 -99.200 -91.000 TYR 216 0.840 29.343 31.699 135.702 -99.200 -91.000 PHE 232 1.000 37.952 31.235 144.816 -99.200 -91.000 PHE 255 1.000 34.197 35.151 144.920 -99.200 -91.000 PHE 270 1.000 31.550 31.243 146.069 -99.200 -91.000 TYR 294 0.840 35.757 43.231 142.324 -99.200 -91.000