============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 2 0.840 78.072 87.272 42.132 -99.200 -91.000 PHE 10 1.000 72.772 79.987 49.790 -99.200 -91.000 PHE 12 1.000 67.033 82.658 54.237 -99.200 -91.000 TRP 15 1.040 64.789 82.131 64.370 -99.200 -91.000 TRP6 15 1.020 65.104 79.861 63.822 -99.200 -91.000 TRP 19 1.040 63.005 89.996 65.799 -99.200 -91.000 TRP6 19 1.020 64.231 91.978 65.432 -99.200 -91.000 PHE 25 1.000 67.314 98.901 75.969 -99.200 -91.000 HIS 48 0.900 67.768 72.229 50.278 -99.200 -91.000 PHE 52 1.000 59.507 73.018 62.986 -99.200 -91.000 HIS 53 0.900 63.381 78.726 67.756 -99.200 -91.000 PHE 60 1.000 53.615 77.627 76.161 -99.200 -91.000 HIS 70 0.900 48.580 77.373 64.086 -99.200 -91.000 PHE 74 1.000 56.258 74.538 58.109 -99.200 -91.000 PHE 93 1.000 64.523 80.755 72.666 -99.200 -91.000 HIS 95 0.900 55.597 80.023 79.728 -99.200 -91.000 PHE 98 1.000 60.963 76.340 79.080 -99.200 -91.000 PHE 103 1.000 67.288 69.958 77.452 -99.200 -91.000 TYR 113 0.840 56.764 72.663 79.947 -99.200 -91.000 TYR 133 0.840 64.740 69.012 67.988 -99.200 -91.000 TRP 136 1.040 71.020 79.660 72.123 -99.200 -91.000 TRP6 136 1.020 69.320 81.232 72.578 -99.200 -91.000 PHE 161 1.000 71.881 68.340 74.902 -99.200 -91.000 TYR 167 0.840 61.388 59.976 71.839 -99.200 -91.000 TYR 173 0.840 61.893 59.277 65.751 -99.200 -91.000 PHE 177 1.000 69.075 64.804 69.843 -99.200 -91.000 HIS 197 0.900 84.034 76.695 76.888 -99.200 -91.000 PHE 201 1.000 77.137 68.465 77.671 -99.200 -91.000 TYR 211 0.840 74.024 63.504 71.914 -99.200 -91.000 HIS 219 0.900 74.752 82.749 68.983 -99.200 -91.000 PHE 227 1.000 81.337 80.712 62.787 -99.200 -91.000 HIS 229 0.900 92.063 80.566 63.529 -99.200 -91.000 TRP 236 1.040 91.684 67.910 63.623 -99.200 -91.000 TRP6 236 1.020 91.856 67.559 65.953 -99.200 -91.000 PHE 241 1.000 76.688 65.800 64.012 -99.200 -91.000 HIS 242 0.900 71.731 73.597 60.675 -99.200 -91.000 TYR 253 0.840 73.115 94.680 69.732 -99.200 -91.000 PHE 259 1.000 77.826 84.529 55.410 -99.200 -91.000 PHE 268 1.000 88.195 85.133 50.832 -99.200 -91.000 TRP 269 1.040 90.318 84.753 55.495 -99.200 -91.000 TRP6 269 1.020 91.687 83.754 53.843 -99.200 -91.000 TYR 279 0.840 78.245 72.433 56.264 -99.200 -91.000 HIS 284 0.900 69.253 77.934 60.124 -99.200 -91.000 PHE 285 1.000 72.102 82.513 54.716 -99.200 -91.000 PHE 287 1.000 67.962 87.435 57.729 -99.200 -91.000 PHE 295 1.000 56.045 92.101 56.928 -99.200 -91.000 TRP 299 1.040 59.711 89.310 51.965 -99.200 -91.000 TRP6 299 1.020 59.867 87.250 53.101 -99.200 -91.000 TYR 309 0.840 77.946 80.082 51.392 -99.200 -91.000 PHE 319 1.000 93.363 82.862 48.488 -99.200 -91.000 PHE 356 1.000 118.327 70.307 71.211 -99.200 -91.000 PHE 359 1.000 116.053 73.869 63.292 -99.200 -91.000 PHE 371 1.000 102.412 82.963 57.522 -99.200 -91.000 HIS 381 0.900 91.998 85.833 43.455 -99.200 -91.000