============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 1 1.000 3.941 26.227 73.387 -99.200 -91.000 PHE 4 1.000 7.103 21.611 71.661 -99.200 -91.000 TRP 24 1.040 3.791 26.691 57.552 -99.200 -91.000 TRP6 24 1.020 5.286 24.915 57.938 -99.200 -91.000 TYR 37 0.840 -10.442 42.768 50.669 -99.200 -91.000 HIS 52 0.900 -7.865 21.788 56.345 -99.200 -91.000 HIS 57 0.900 -2.868 37.824 48.124 -99.200 -91.000 TRP 64 1.040 0.826 39.052 45.952 -99.200 -91.000 TRP6 64 1.020 2.654 40.475 45.517 -99.200 -91.000 PHE 70 1.000 -8.291 28.214 60.279 -99.200 -91.000 PHE 76 1.000 -13.584 33.316 54.707 -99.200 -91.000 TRP 78 1.040 -4.259 34.330 55.421 -99.200 -91.000 TRP6 78 1.020 -5.975 35.918 55.733 -99.200 -91.000 TYR 95 0.840 -6.183 44.584 45.494 -99.200 -91.000 PHE 98 1.000 -12.851 54.895 50.957 -99.200 -91.000 PHE 117 1.000 2.121 3.106 66.362 -99.200 -91.000 PHE 127 1.000 -7.751 19.268 71.648 -99.200 -91.000 TRP 147 1.040 -8.223 13.976 59.050 -99.200 -91.000 TRP6 147 1.020 -8.611 13.604 56.763 -99.200 -91.000 PHE 148 1.000 -3.160 19.517 57.247 -99.200 -91.000 HIS 150 0.900 -3.381 12.650 51.015 -99.200 -91.000 PHE 155 1.000 -5.672 14.401 64.026 -99.200 -91.000 TRP 182 1.040 2.841 20.916 59.084 -99.200 -91.000 TRP6 182 1.020 1.281 19.601 60.261 -99.200 -91.000 PHE 191 1.000 -0.669 18.132 51.039 -99.200 -91.000 PHE 202 1.000 7.914 28.965 41.336 -99.200 -91.000 PHE 217 1.000 -8.921 26.227 36.895 -99.200 -91.000 TYR 222 0.840 -9.145 34.101 40.949 -99.200 -91.000 PHE 232 1.000 -6.535 29.278 27.527 -99.200 -91.000 TRP 241 1.040 8.489 17.628 38.698 -99.200 -91.000 TRP6 241 1.020 8.169 15.601 37.531 -99.200 -91.000 TRP 264 1.040 26.548 16.679 36.434 -99.200 -91.000 TRP6 264 1.020 24.881 15.412 37.523 -99.200 -91.000 PHE 295 1.000 16.084 15.949 38.366 -99.200 -91.000 HIS 305 0.900 15.654 8.432 44.232 -99.200 -91.000 TYR 311 0.840 -0.402 15.876 44.341 -99.200 -91.000