============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 12 0.840 69.589 33.473 39.165 -99.200 -91.000 TYR 32 0.840 77.103 38.453 48.373 -99.200 -91.000 TYR 34 0.840 73.990 33.066 45.739 -99.200 -91.000 HIS 52 0.900 90.612 20.237 21.658 -99.200 -91.000 TYR 55 0.840 83.432 10.314 23.429 -99.200 -91.000 TRP 77 1.040 86.538 8.225 43.085 -99.200 -91.000 TRP6 77 1.020 87.635 6.586 44.413 -99.200 -91.000 TYR 78 0.840 79.983 11.410 42.200 -99.200 -91.000 PHE 88 1.000 86.698 11.273 47.475 -99.200 -91.000 PHE 97 1.000 88.957 14.229 34.461 -99.200 -91.000 HIS 101 0.900 78.705 18.885 26.354 -99.200 -91.000 TRP 106 1.040 69.684 7.212 27.865 -99.200 -91.000 TRP6 106 1.020 67.377 7.636 27.537 -99.200 -91.000 TYR 125 0.840 75.389 30.412 61.827 -99.200 -91.000 TRP 132 1.040 77.173 38.323 57.641 -99.200 -91.000 TRP6 132 1.020 74.929 38.208 58.375 -99.200 -91.000 PHE 145 1.000 77.729 19.678 45.025 -99.200 -91.000 TYR 149 0.840 85.385 29.633 47.269 -99.200 -91.000 TYR 167 0.840 85.115 37.270 51.332 -99.200 -91.000 PHE 169 1.000 89.516 26.185 46.969 -99.200 -91.000 TYR 175 0.840 94.353 30.585 34.711 -99.200 -91.000 PHE 181 1.000 85.379 43.208 44.390 -99.200 -91.000 TYR 182 0.840 81.012 40.093 39.758 -99.200 -91.000 PHE 188 1.000 77.934 35.388 52.643 -99.200 -91.000 HIS 191 0.900 90.821 27.002 58.872 -99.200 -91.000 HIS 192 0.900 86.286 23.096 62.932 -99.200 -91.000 PHE 203 1.000 88.845 19.248 35.487 -99.200 -91.000 HIS 206 0.900 86.057 23.372 31.763 -99.200 -91.000 PHE 211 1.000 90.784 28.186 33.022 -99.200 -91.000 PHE 216 1.000 84.029 23.991 49.681 -99.200 -91.000 PHE 217 1.000 81.455 15.562 46.493 -99.200 -91.000 PHE 230 1.000 86.882 26.363 52.434 -99.200 -91.000 TYR 232 0.840 88.898 29.894 55.135 -99.200 -91.000 PHE 236 1.000 92.727 32.691 55.502 -99.200 -91.000 TRP 237 1.040 94.456 29.697 58.845 -99.200 -91.000 TRP6 237 1.020 93.594 31.262 60.401 -99.200 -91.000 PHE 242 1.000 92.297 36.609 60.726 -99.200 -91.000 HIS 253 0.900 96.266 26.822 60.543 -99.200 -91.000