============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 3 1.000 -30.817 -80.798 -8.547 -99.200 -91.000 TYR 18 0.840 -17.157 -92.537 -2.510 -99.200 -91.000 TYR 19 0.840 -11.335 -86.111 -2.129 -99.200 -91.000 PHE 42 1.000 -17.139 -77.411 7.214 -99.200 -91.000 HIS 49 0.900 -1.744 -85.348 11.111 -99.200 -91.000 PHE 51 1.000 -0.190 -89.707 8.220 -99.200 -91.000 HIS 53 0.900 0.597 -83.685 1.645 -99.200 -91.000 TYR 55 0.840 -2.133 -75.669 8.082 -99.200 -91.000 TYR 56 0.840 -10.709 -72.106 8.616 -99.200 -91.000 TYR 64 0.840 -11.583 -67.576 13.133 -99.200 -91.000 TYR 72 0.840 -11.024 -85.474 23.835 -99.200 -91.000 TYR 75 0.840 -11.989 -91.168 16.161 -99.200 -91.000 TRP 80 1.040 -12.647 -84.761 15.097 -99.200 -91.000 TRP6 80 1.020 -13.600 -82.663 15.585 -99.200 -91.000 HIS 93 0.900 -16.785 -78.031 -9.000 -99.200 -91.000 PHE 112 1.000 -10.510 -86.499 11.601 -99.200 -91.000 PHE 113 1.000 -6.834 -84.274 9.663 -99.200 -91.000 TRP 119 1.040 -10.582 -87.733 3.888 -99.200 -91.000 TRP6 119 1.020 -10.473 -87.417 6.221 -99.200 -91.000 TYR 127 0.840 -31.368 -85.648 10.998 -99.200 -91.000 PHE 140 1.000 -22.347 -76.668 4.887 -99.200 -91.000 PHE 141 1.000 -28.368 -80.358 3.650 -99.200 -91.000 HIS 149 0.900 -35.150 -68.568 -0.810 -99.200 -91.000 PHE 154 1.000 -27.488 -85.337 2.754 -99.200 -91.000 HIS 174 0.900 -36.015 -87.565 -11.268 -99.200 -91.000 TYR 177 0.840 -33.878 -92.051 -9.469 -99.200 -91.000 TRP 182 1.040 -39.317 -99.144 -4.098 -99.200 -91.000 TRP6 182 1.020 -41.453 -99.748 -3.291 -99.200 -91.000 TYR 183 0.840 -38.208 -91.445 -0.967 -99.200 -91.000 TRP 190 1.040 -30.160 -91.458 16.439 -99.200 -91.000 TRP6 190 1.020 -28.808 -92.554 18.039 -99.200 -91.000 TYR 191 0.840 -25.044 -92.116 14.922 -99.200 -91.000 TYR 192 0.840 -29.028 -88.556 7.679 -99.200 -91.000 TYR 213 0.840 -32.231-109.423 10.481 -99.200 -91.000 TYR 215 0.840 -28.008-105.860 20.688 -99.200 -91.000 PHE 234 1.000 -18.730-110.661 10.427 -99.200 -91.000 PHE 250 1.000 -12.893-117.433 -1.535 -99.200 -91.000 PHE 254 1.000 -12.562-113.126 1.348 -99.200 -91.000 TRP 255 1.040 -14.512-116.391 4.679 -99.200 -91.000 TRP6 255 1.020 -16.235-115.748 3.198 -99.200 -91.000 TRP 263 1.040 -10.448-115.252 -7.902 -99.200 -91.000 TRP6 263 1.020 -11.599-114.087 -6.207 -99.200 -91.000 TRP 270 1.040 -17.132-110.084 -10.495 -99.200 -91.000 TRP6 270 1.020 -16.368-108.929 -8.591 -99.200 -91.000 PHE 273 1.000 -17.061-114.454 -3.481 -99.200 -91.000 TYR 279 0.840 -36.758-108.420 1.916 -99.200 -91.000 PHE 289 1.000 -37.174 -99.621 0.755 -99.200 -91.000 TYR 298 0.840 -20.680-109.656 -0.905 -99.200 -91.000 TYR 308 0.840 -11.764-108.205 -6.314 -99.200 -91.000 PHE 310 1.000 -16.905-110.811 3.857 -99.200 -91.000 PHE 329 1.000 -28.713-100.226 -3.263 -99.200 -91.000 TYR 330 0.840 -29.508 -90.080 -6.557 -99.200 -91.000 PHE 333 1.000 -28.268 -89.971 3.116 -99.200 -91.000 PHE 342 1.000 -31.473 -97.044 0.924 -99.200 -91.000 HIS 348 0.900 -25.531-101.158 -9.980 -99.200 -91.000 HIS 350 0.900 -24.164-103.243 -13.552 -99.200 -91.000 PHE 353 1.000 -23.889-113.451 -17.615 -99.200 -91.000 PHE 362 1.000 -40.374-107.570 -1.437 -99.200 -91.000 TYR 372 0.840 -31.843-102.949 21.499 -99.200 -91.000