============================================================================= 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. HIS 7 0.900 10.709 -4.641 71.337 -99.200 -91.000 HIS 11 0.900 -0.730 0.503 68.944 -99.200 -91.000 PHE 14 1.000 -0.024 -3.990 56.578 -99.200 -91.000 PHE 16 1.000 5.384 -5.621 52.425 -99.200 -91.000 TYR 19 0.840 13.420 -11.713 51.323 -99.200 -91.000 TRP 32 1.040 7.616 -4.064 48.151 -99.200 -91.000 TRP6 32 1.020 9.153 -3.973 49.946 -99.200 -91.000 TRP 45 1.040 7.078 -6.857 64.941 -99.200 -91.000 TRP6 45 1.020 9.362 -6.523 65.488 -99.200 -91.000 HIS 52 0.900 11.070 -6.743 58.627 -99.200 -91.000 TRP 53 1.040 10.844 -1.865 65.084 -99.200 -91.000 TRP6 53 1.020 8.702 -1.421 66.000 -99.200 -91.000 TYR 65 0.840 18.068 4.116 54.363 -99.200 -91.000 TYR 68 0.840 26.841 8.621 60.822 -99.200 -91.000 HIS 70 0.900 20.008 7.335 68.048 -99.200 -91.000 PHE 71 1.000 17.004 4.535 62.988 -99.200 -91.000 PHE 77 1.000 21.080 -7.419 51.833 -99.200 -91.000 TYR 86 0.840 25.458 -6.528 53.116 -99.200 -91.000 PHE 88 1.000 28.449 -8.574 49.589 -99.200 -91.000 PHE 101 1.000 37.437 0.254 53.576 -99.200 -91.000 PHE 140 1.000 14.174 -5.460 27.877 -99.200 -91.000 TYR 144 0.840 19.038 -4.001 25.952 -99.200 -91.000 PHE 148 1.000 23.032 -1.854 27.903 -99.200 -91.000 PHE 153 1.000 30.815 -5.748 37.662 -99.200 -91.000 HIS 166 0.900 29.242 -20.262 40.580 -99.200 -91.000 TYR 169 0.840 22.190 -20.521 42.368 -99.200 -91.000 PHE 183 1.000 23.780 -12.080 52.378 -99.200 -91.000 TYR 191 0.840 32.810 -12.352 50.631 -99.200 -91.000 TYR 193 0.840 34.164 -16.035 39.961 -99.200 -91.000 PHE 246 1.000 14.736 1.657 36.455 -99.200 -91.000 PHE 249 1.000 10.447 -4.090 38.544 -99.200 -91.000 PHE 253 1.000 4.952 3.580 32.085 -99.200 -91.000 HIS 260 0.900 3.417 7.690 29.892 -99.200 -91.000 PHE 282 1.000 7.415 1.573 36.463 -99.200 -91.000 TYR 295 0.840 16.324 7.223 68.152 -99.200 -91.000 PHE 297 1.000 12.748 7.218 63.435 -99.200 -91.000 HIS 298 0.900 9.140 10.299 63.135 -99.200 -91.000 HIS 327 0.900 0.175 10.120 35.249 -99.200 -91.000 PHE 330 1.000 8.202 9.573 30.521 -99.200 -91.000 HIS 337 0.900 14.952 9.353 42.878 -99.200 -91.000 PHE 340 1.000 20.259 5.519 41.088 -99.200 -91.000 HIS 342 0.900 18.237 10.917 52.416 -99.200 -91.000 HIS 345 0.900 26.442 2.973 54.066 -99.200 -91.000 HIS 350 0.900 28.269 9.848 38.420 -99.200 -91.000 TRP 363 1.040 13.199 -1.357 22.499 -99.200 -91.000 TRP6 363 1.020 14.052 -3.547 22.794 -99.200 -91.000 PHE 370 1.000 8.533 -1.343 23.362 -99.200 -91.000 HIS 380 0.900 6.466 -7.180 38.077 -99.200 -91.000 TRP 395 1.040 9.734 -5.662 17.146 -99.200 -91.000 TRP6 395 1.020 10.735 -6.741 19.002 -99.200 -91.000