============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 15.955 -14.301 34.157 -99.200 -91.000 TYR 31 0.840 30.806 -14.856 38.416 -99.200 -91.000 TYR 36 0.840 27.657 -18.633 33.373 -99.200 -91.000 TYR 37 0.840 25.723 -17.466 25.508 -99.200 -91.000 PHE 38 1.000 20.855 -14.988 31.846 -99.200 -91.000 TRP 40 1.040 14.161 -11.703 29.015 -99.200 -91.000 TRP6 40 1.020 16.499 -11.436 29.151 -99.200 -91.000 TYR 42 0.840 7.302 -13.083 20.119 -99.200 -91.000 PHE 57 1.000 19.409 -9.381 18.950 -99.200 -91.000 PHE 66 1.000 33.361 -7.045 16.070 -99.200 -91.000 TYR 89 0.840 48.372 4.735 4.915 -99.200 -91.000 TRP 90 1.040 41.431 9.369 -0.977 -99.200 -91.000 TRP6 90 1.020 39.396 9.881 0.098 -99.200 -91.000 TRP 98 1.040 41.526 16.641 4.376 -99.200 -91.000 TRP6 98 1.020 40.679 14.993 5.844 -99.200 -91.000 HIS 105 0.900 45.349 14.336 14.681 -99.200 -91.000 TYR 109 0.840 35.169 8.576 17.583 -99.200 -91.000 PHE 131 1.000 31.684 14.443 4.040 -99.200 -91.000 TYR 132 0.840 35.892 12.074 4.350 -99.200 -91.000 TRP 135 1.040 35.360 18.551 7.764 -99.200 -91.000 TRP6 135 1.020 37.572 18.219 8.512 -99.200 -91.000 TRP 139 1.040 36.602 23.042 17.571 -99.200 -91.000 TRP6 139 1.020 34.972 21.387 17.147 -99.200 -91.000 TYR 147 0.840 30.412 8.105 18.272 -99.200 -91.000 PHE 155 1.000 42.040 3.678 12.133 -99.200 -91.000 PHE 167 1.000 36.216 -2.275 7.620 -99.200 -91.000 PHE 176 1.000 33.750 -10.147 11.462 -99.200 -91.000 HIS 183 0.900 27.035 -19.119 13.276 -99.200 -91.000 TRP 185 1.040 26.729 -13.431 9.290 -99.200 -91.000 TRP6 185 1.020 28.001 -15.039 8.126 -99.200 -91.000 TYR 196 0.840 19.476 -8.707 9.448 -99.200 -91.000 TRP 198 1.040 12.215 -8.436 9.919 -99.200 -91.000 TRP6 198 1.020 12.677 -6.988 8.111 -99.200 -91.000 TYR 200 0.840 10.000 -5.207 15.212 -99.200 -91.000 HIS 207 0.900 16.417 -6.480 8.555 -99.200 -91.000 TYR 218 0.840 26.194 3.086 9.558 -99.200 -91.000 TRP 230 1.040 34.059 -7.737 19.899 -99.200 -91.000 TRP6 230 1.020 36.123 -7.774 18.754 -99.200 -91.000 TYR 256 0.840 45.521 5.241 21.133 -99.200 -91.000 TRP 257 1.040 43.105 11.579 21.419 -99.200 -91.000 TRP6 257 1.020 44.441 13.487 21.041 -99.200 -91.000 TYR 263 0.840 41.534 7.941 30.961 -99.200 -91.000 TRP 268 1.040 37.158 -2.236 22.531 -99.200 -91.000 TRP6 268 1.020 35.055 -3.090 23.186 -99.200 -91.000 TRP 273 1.040 36.451 -1.826 38.813 -99.200 -91.000 TRP6 273 1.020 34.123 -1.727 38.453 -99.200 -91.000 TRP 309 1.040 32.273 0.501 32.251 -99.200 -91.000 TRP6 309 1.020 30.875 -0.936 33.476 -99.200 -91.000 HIS 311 0.900 31.464 2.726 28.306 -99.200 -91.000 PHE 319 1.000 18.288 -4.824 14.942 -99.200 -91.000 TYR 322 0.840 27.011 -0.488 27.783 -99.200 -91.000 PHE 325 1.000 36.300 -5.367 27.501 -99.200 -91.000 TYR 341 0.840 17.486 -0.256 25.394 -99.200 -91.000 TRP 351 1.040 28.105 0.370 37.871 -99.200 -91.000 TRP6 351 1.020 27.058 0.630 39.954 -99.200 -91.000