============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 13 1.040 55.267 80.251 71.251 -99.200 -91.000 TRP6 13 1.020 55.124 77.892 71.166 -99.200 -91.000 PHE 23 1.000 64.017 74.432 70.141 -99.200 -91.000 TRP 47 1.040 43.031 77.678 78.997 -99.200 -91.000 TRP6 47 1.020 43.327 75.334 79.162 -99.200 -91.000 TRP 49 1.040 45.241 70.822 78.563 -99.200 -91.000 TRP6 49 1.020 46.080 71.193 80.745 -99.200 -91.000 HIS 54 0.900 60.687 60.325 71.017 -99.200 -91.000 PHE 66 1.000 44.879 63.027 73.807 -99.200 -91.000 HIS 82 0.900 45.059 80.338 56.810 -99.200 -91.000 PHE 83 1.000 41.108 75.789 62.645 -99.200 -91.000 PHE 92 1.000 40.609 70.785 60.380 -99.200 -91.000 HIS 98 0.900 44.236 60.096 58.891 -99.200 -91.000 PHE 109 1.000 52.531 60.284 48.563 -99.200 -91.000 PHE 149 1.000 64.649 67.974 43.221 -99.200 -91.000 HIS 166 0.900 51.437 79.733 36.640 -99.200 -91.000 HIS 169 0.900 56.420 79.160 44.860 -99.200 -91.000 TRP 171 1.040 45.932 79.389 43.971 -99.200 -91.000 TRP6 171 1.020 45.451 77.907 42.191 -99.200 -91.000 HIS 180 0.900 51.976 86.992 60.292 -99.200 -91.000 TYR 195 0.840 45.147 72.679 39.095 -99.200 -91.000 PHE 196 1.000 45.641 69.556 43.443 -99.200 -91.000 PHE 251 1.000 71.748 71.993 50.323 -99.200 -91.000 HIS 252 0.900 71.990 79.739 57.748 -99.200 -91.000 TRP 281 1.040 70.304 70.908 65.503 -99.200 -91.000 TRP6 281 1.020 70.573 72.862 64.197 -99.200 -91.000 HIS 284 0.900 59.278 71.619 58.172 -99.200 -91.000 TYR 312 0.840 47.968 73.753 69.045 -99.200 -91.000 TYR 315 0.840 54.766 65.945 65.497 -99.200 -91.000 PHE 325 1.000 65.874 62.186 69.593 -99.200 -91.000 PHE 333 1.000 76.432 65.122 59.518 -99.200 -91.000 HIS 340 0.900 63.517 62.357 62.514 -99.200 -91.000 PHE 343 1.000 60.215 63.590 57.332 -99.200 -91.000 PHE 345 1.000 54.876 57.768 66.974 -99.200 -91.000 HIS 348 0.900 45.728 62.869 61.742 -99.200 -91.000 TYR 349 0.840 53.109 57.699 58.483 -99.200 -91.000 PHE 385 1.000 67.206 81.170 57.767 -99.200 -91.000 TRP 401 1.040 79.377 78.390 40.901 -99.200 -91.000 TRP6 401 1.020 77.181 79.154 41.331 -99.200 -91.000