============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 14 1.000 10.173 -0.279 1.186 -99.200 -91.000 HIS 24 0.900 12.236 12.675 -4.002 -99.200 -91.000 PHE 26 1.000 5.479 4.272 -3.748 -99.200 -91.000 PHE 29 1.000 6.308 6.407 -9.275 -99.200 -91.000 HIS 30 0.900 -0.053 8.903 -4.795 -99.200 -91.000 PHE 36 1.000 0.991 14.248 -17.955 -99.200 -91.000 PHE 38 1.000 -3.551 9.046 -16.722 -99.200 -91.000 TYR 41 0.840 -6.496 1.175 -10.806 -99.200 -91.000 TYR 52 0.840 -2.629 -12.577 -12.322 -99.200 -91.000 PHE 65 1.000 5.618 -15.571 -3.267 -99.200 -91.000 PHE 67 1.000 -1.386 -18.005 -1.169 -99.200 -91.000 HIS 73 0.900 -10.335 -22.123 -8.075 -99.200 -91.000 TRP 102 1.040 -10.174 4.436 -13.851 -99.200 -91.000 TRP6 102 1.020 -11.180 2.451 -13.066 -99.200 -91.000 TYR 103 0.840 -2.740 7.807 -9.459 -99.200 -91.000 TRP 109 1.040 3.748 -9.314 -3.760 -99.200 -91.000 TRP6 109 1.020 5.206 -9.711 -1.956 -99.200 -91.000 TYR 111 0.840 9.112 -19.281 -5.423 -99.200 -91.000 HIS 117 0.900 7.952 -4.647 -9.620 -99.200 -91.000 TYR 118 0.840 5.354 -0.949 -2.750 -99.200 -91.000 TRP 120 1.040 2.514 6.127 -11.584 -99.200 -91.000 TRP6 120 1.020 3.673 7.628 -13.017 -99.200 -91.000 TRP 142 1.040 4.925 16.492 -15.040 -99.200 -91.000 TRP6 142 1.020 4.574 18.526 -16.184 -99.200 -91.000 PHE 178 1.000 2.116 -10.144 -33.360 -99.200 -91.000 HIS 233 0.900 1.479 -1.607 -41.403 -99.200 -91.000 PHE 242 1.000 4.679 8.255 -29.327 -99.200 -91.000 PHE 243 1.000 8.571 8.796 -32.699 -99.200 -91.000 TYR 249 0.840 2.859 17.667 -22.939 -99.200 -91.000 TYR 251 0.840 7.871 16.186 -21.705 -99.200 -91.000 TRP 254 1.040 12.273 14.599 -22.308 -99.200 -91.000 TRP6 254 1.020 12.731 13.843 -20.111 -99.200 -91.000 PHE 257 1.000 11.075 2.803 -35.544 -99.200 -91.000 TYR 267 0.840 -1.127 -7.258 -21.247 -99.200 -91.000 TYR 268 0.840 2.202 -4.206 -23.695 -99.200 -91.000 PHE 273 1.000 4.733 3.570 -23.525 -99.200 -91.000 PHE 276 1.000 16.936 4.978 -24.181 -99.200 -91.000 PHE 282 1.000 21.502 2.443 -13.561 -99.200 -91.000 TYR 291 0.840 -4.032 -2.646 -21.896 -99.200 -91.000 TYR 298 0.840 -8.847 -10.290 -18.646 -99.200 -91.000 PHE 309 1.000 3.455 5.102 -17.549 -99.200 -91.000 PHE 311 1.000 8.892 5.578 -13.898 -99.200 -91.000 HIS 331 0.900 11.044 13.613 11.863 -99.200 -91.000 PHE 340 1.000 13.389 25.049 34.871 -99.200 -91.000 HIS 347 0.900 0.827 25.433 33.565 -99.200 -91.000 PHE 375 1.000 17.262 23.987 24.248 -99.200 -91.000 TYR 377 0.840 13.306 14.108 20.939 -99.200 -91.000 TRP 394 1.040 1.974 28.861 32.803 -99.200 -91.000 TRP6 394 1.020 1.503 28.168 30.591 -99.200 -91.000 PHE 407 1.000 16.224 36.302 21.808 -99.200 -91.000