============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.251 55.215 -0.240 -99.200 -91.000 PHE 14 1.000 97.482 61.459 29.800 -99.200 -91.000 HIS 24 0.900 90.595 51.094 4.072 -99.200 -91.000 TYR 38 0.840 80.415 30.742 15.595 -99.200 -91.000 TYR 56 0.840 73.250 7.308 20.650 -99.200 -91.000 PHE 70 1.000 76.266 11.633 21.062 -99.200 -91.000 TRP 80 1.040 79.874 24.858 14.560 -99.200 -91.000 TRP6 80 1.020 79.673 24.058 16.773 -99.200 -91.000 TYR 89 0.840 86.186 14.388 6.921 -99.200 -91.000 HIS 91 0.900 79.812 8.885 13.492 -99.200 -91.000 TYR 102 0.840 92.081 11.197 9.045 -99.200 -91.000 TYR 104 0.840 84.250 7.606 16.681 -99.200 -91.000 TRP 121 1.040 94.313 26.815 28.496 -99.200 -91.000 TRP6 121 1.020 96.104 27.978 29.501 -99.200 -91.000 HIS 124 0.900 93.688 34.368 24.840 -99.200 -91.000 TYR 133 0.840 82.262 28.843 11.661 -99.200 -91.000 HIS 136 0.900 88.453 21.821 12.384 -99.200 -91.000 TYR 144 0.840 94.013 31.996 7.947 -99.200 -91.000 TYR 147 0.840 101.947 21.584 7.942 -99.200 -91.000 HIS 162 0.900 108.511 25.690 -8.426 -99.200 -91.000 TYR 172 0.840 113.600 29.725 5.288 -99.200 -91.000 TYR 179 0.840 103.935 32.771 11.295 -99.200 -91.000 TYR 182 0.840 104.137 41.322 3.054 -99.200 -91.000 TYR 187 0.840 116.175 35.680 14.364 -99.200 -91.000 PHE 190 1.000 104.014 26.887 15.216 -99.200 -91.000 PHE 193 1.000 110.015 33.453 20.925 -99.200 -91.000 TYR 227 0.840 118.562 41.133 14.967 -99.200 -91.000 PHE 230 1.000 110.589 44.458 15.472 -99.200 -91.000 PHE 246 1.000 94.047 45.400 20.863 -99.200 -91.000 HIS 248 0.900 104.125 45.483 24.187 -99.200 -91.000 PHE 253 1.000 107.972 48.231 22.428 -99.200 -91.000 TRP 256 1.040 103.964 43.170 32.054 -99.200 -91.000 TRP6 256 1.020 102.104 42.132 30.987 -99.200 -91.000 TRP 268 1.040 102.362 36.273 30.349 -99.200 -91.000 TRP6 268 1.020 101.577 34.614 31.820 -99.200 -91.000 TRP 269 1.040 96.367 34.980 31.523 -99.200 -91.000 TRP6 269 1.020 96.885 33.158 32.941 -99.200 -91.000 TYR 281 0.840 94.519 19.159 24.774 -99.200 -91.000 HIS 309 0.900 92.565 36.286 18.528 -99.200 -91.000 PHE 317 1.000 85.008 41.309 13.181 -99.200 -91.000 TYR 325 0.840 75.626 24.267 19.809 -99.200 -91.000