============================================================================= 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. TRP 3 1.040 -3.590 131.204 31.170 -99.200 -91.000 TRP6 3 1.020 -4.498 129.034 30.974 -99.200 -91.000 PHE 4 1.000 5.724 127.337 29.239 -99.200 -91.000 PHE 7 1.000 3.146 129.945 21.345 -99.200 -91.000 TRP 11 1.040 5.334 121.789 19.637 -99.200 -91.000 TRP6 11 1.020 7.194 120.662 20.559 -99.200 -91.000 PHE 16 1.000 -0.781 121.407 27.776 -99.200 -91.000 TYR 25 0.840 16.708 128.997 39.343 -99.200 -91.000 TYR 31 0.840 26.278 122.999 27.982 -99.200 -91.000 PHE 37 1.000 4.977 126.916 34.665 -99.200 -91.000 TYR 42 0.840 -1.854 119.158 33.755 -99.200 -91.000 PHE 60 1.000 1.531 109.020 36.950 -99.200 -91.000 TYR 62 0.840 9.985 110.310 29.228 -99.200 -91.000 HIS 63 0.900 10.550 110.876 34.547 -99.200 -91.000 HIS 68 0.900 9.642 100.603 36.457 -99.200 -91.000 TYR 97 0.840 13.751 97.485 38.087 -99.200 -91.000 TYR 119 0.840 13.415 125.678 42.932 -99.200 -91.000 PHE 120 1.000 10.432 120.190 39.309 -99.200 -91.000 TYR 127 0.840 20.390 113.131 40.473 -99.200 -91.000 PHE 135 1.000 30.540 109.267 35.263 -99.200 -91.000 PHE 142 1.000 29.503 108.296 30.386 -99.200 -91.000 TYR 150 0.840 26.995 101.881 31.003 -99.200 -91.000 PHE 168 1.000 16.691 113.228 18.656 -99.200 -91.000 PHE 172 1.000 23.424 108.957 21.047 -99.200 -91.000 TYR 173 0.840 20.106 105.442 18.177 -99.200 -91.000 TYR 177 0.840 25.716 96.471 18.224 -99.200 -91.000 TYR 185 0.840 17.137 93.694 26.000 -99.200 -91.000 TRP 194 1.040 -1.584 111.360 17.346 -99.200 -91.000 TRP6 194 1.020 -3.233 110.957 15.700 -99.200 -91.000 HIS 196 0.900 7.813 115.102 15.801 -99.200 -91.000 TYR 206 0.840 19.660 108.049 11.214 -99.200 -91.000 PHE 211 1.000 21.059 98.753 18.950 -99.200 -91.000 TYR 216 0.840 7.367 105.006 18.045 -99.200 -91.000 TYR 224 0.840 6.992 114.746 27.538 -99.200 -91.000 PHE 253 1.000 9.996 97.302 41.163 -99.200 -91.000 TYR 258 0.840 1.103 105.008 31.532 -99.200 -91.000 TYR 259 0.840 5.776 98.132 33.382 -99.200 -91.000 TYR 261 0.840 3.048 90.155 32.313 -99.200 -91.000 HIS 264 0.900 7.024 95.441 28.884 -99.200 -91.000 PHE 268 1.000 6.936 97.738 22.898 -99.200 -91.000 PHE 273 1.000 -0.930 107.522 12.048 -99.200 -91.000