============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 4 0.840 -62.587 -7.381 -76.542 -99.200 -91.000 PHE 7 1.000 -64.256 1.848 -72.492 -99.200 -91.000 TRP 15 1.040 -58.639 -0.722 -77.302 -99.200 -91.000 TRP6 15 1.020 -59.845 0.139 -75.466 -99.200 -91.000 TRP 18 1.040 -51.953 9.128 -81.554 -99.200 -91.000 TRP6 18 1.020 -52.041 11.327 -80.727 -99.200 -91.000 TRP 20 1.040 -62.355 6.280 -80.236 -99.200 -91.000 TRP6 20 1.020 -62.278 5.059 -78.208 -99.200 -91.000 TYR 35 0.840 -67.452 4.025 -69.350 -99.200 -91.000 TYR 59 0.840 -53.951 0.501 -72.413 -99.200 -91.000 TYR 60 0.840 -53.447 4.015 -66.020 -99.200 -91.000 HIS 96 0.900 -37.255 26.580 -54.827 -99.200 -91.000 HIS 108 0.900 -28.622 25.704 -67.258 -99.200 -91.000 TYR 110 0.840 -29.875 18.314 -61.971 -99.200 -91.000 TYR 123 0.840 -54.243 15.949 -67.279 -99.200 -91.000 HIS 126 0.900 -48.521 9.296 -59.350 -99.200 -91.000 PHE 132 1.000 -46.659 23.087 -67.402 -99.200 -91.000 TYR 149 0.840 -30.625 29.534 -70.971 -99.200 -91.000 TYR 176 0.840 -40.509 24.335 -85.735 -99.200 -91.000 HIS 186 0.900 -24.511 24.532 -77.537 -99.200 -91.000 TYR 214 0.840 -34.764 14.665 -86.442 -99.200 -91.000 HIS 215 0.900 -31.690 7.004 -82.241 -99.200 -91.000 TRP 218 1.040 -29.986 8.191 -74.676 -99.200 -91.000 TRP6 218 1.020 -29.157 6.574 -73.161 -99.200 -91.000 HIS 222 0.900 -45.131 8.369 -63.788 -99.200 -91.000 PHE 223 1.000 -44.240 0.632 -68.246 -99.200 -91.000 HIS 225 0.900 -49.303 -3.107 -59.438 -99.200 -91.000 HIS 262 0.900 -41.877 -9.390 -50.806 -99.200 -91.000 TYR 278 0.840 -32.599 7.835 -65.318 -99.200 -91.000 TYR 279 0.840 -33.064 9.186 -61.504 -99.200 -91.000 TYR 281 0.840 -37.874 10.762 -59.944 -99.200 -91.000 HIS 291 0.900 -53.574 11.249 -51.023 -99.200 -91.000 PHE 292 1.000 -51.359 9.208 -54.347 -99.200 -91.000 HIS 309 0.900 -31.648 -9.534 -51.815 -99.200 -91.000 TYR 313 0.840 -29.991 -6.445 -66.591 -99.200 -91.000 PHE 318 1.000 -35.564 6.180 -51.938 -99.200 -91.000 TYR 334 0.840 -25.052 -2.248 -50.006 -99.200 -91.000 HIS 340 0.900 -2.390 1.355 -43.100 -99.200 -91.000 PHE 348 1.000 -26.772 -10.788 -52.229 -99.200 -91.000 TYR 355 0.840 -10.115 -3.496 -53.235 -99.200 -91.000 TYR 361 0.840 -3.887 6.058 -56.532 -99.200 -91.000 HIS 377 0.900 -16.395 26.017 -61.310 -99.200 -91.000