============================================================================= 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. TYR 10 0.840 4.936 -79.870 76.318 -99.200 -91.000 TYR 16 0.840 17.235 -72.309 56.752 -99.200 -91.000 TYR 21 0.840 21.000 -69.199 58.796 -99.200 -91.000 TRP 23 1.040 25.465 -70.857 62.166 -99.200 -91.000 TRP6 23 1.020 26.983 -70.577 63.958 -99.200 -91.000 PHE 51 1.000 18.313 -71.332 74.084 -99.200 -91.000 TYR 58 0.840 24.581 -67.371 66.670 -99.200 -91.000 HIS 62 0.900 24.395 -76.878 76.648 -99.200 -91.000 PHE 69 1.000 16.782 -72.388 85.531 -99.200 -91.000 HIS 94 0.900 18.827 -67.818 96.683 -99.200 -91.000 HIS 99 0.900 24.574 -72.335 84.016 -99.200 -91.000 TYR 101 0.840 21.900 -71.773 78.245 -99.200 -91.000 PHE 106 1.000 11.635 -72.673 83.617 -99.200 -91.000 PHE 110 1.000 8.004 -67.397 85.556 -99.200 -91.000 TRP 111 1.040 8.330 -60.348 81.090 -99.200 -91.000 TRP6 111 1.020 7.708 -58.082 81.391 -99.200 -91.000 TRP 123 1.040 1.721 -54.461 72.044 -99.200 -91.000 TRP6 123 1.020 0.525 -52.478 72.561 -99.200 -91.000 TYR 137 0.840 17.816 -59.878 59.253 -99.200 -91.000 HIS 155 0.900 13.473 -61.332 49.261 -99.200 -91.000 TYR 160 0.840 11.082 -58.371 53.551 -99.200 -91.000 PHE 163 1.000 17.668 -56.212 50.449 -99.200 -91.000 TRP 171 1.040 41.077 -63.652 54.305 -99.200 -91.000 TRP6 171 1.020 42.146 -62.011 52.984 -99.200 -91.000 TRP 199 1.040 35.839 -62.586 58.113 -99.200 -91.000 TRP6 199 1.020 34.474 -60.666 57.913 -99.200 -91.000 TYR 216 0.840 30.978 -53.334 54.519 -99.200 -91.000 TYR 225 0.840 33.957 -54.181 73.376 -99.200 -91.000 HIS 249 0.900 30.837 -56.309 83.119 -99.200 -91.000 PHE 282 1.000 23.452 -48.683 79.916 -99.200 -91.000 TRP 296 1.040 16.614 -71.348 64.195 -99.200 -91.000 TRP6 296 1.020 17.510 -70.180 62.336 -99.200 -91.000 HIS 307 0.900 3.726 -59.013 72.472 -99.200 -91.000 PHE 308 1.000 14.017 -56.857 73.231 -99.200 -91.000 PHE 316 1.000 17.707 -43.477 69.585 -99.200 -91.000 TYR 326 0.840 14.787 -66.726 58.764 -99.200 -91.000 HIS 339 0.900 0.670 -54.982 56.003 -99.200 -91.000 TYR 344 0.840 2.722 -54.473 61.339 -99.200 -91.000 PHE 357 1.000 -0.072 -78.039 74.943 -99.200 -91.000 TRP 367 1.040 9.833 -80.888 87.777 -99.200 -91.000 TRP6 367 1.020 10.504 -80.241 85.606 -99.200 -91.000