============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 3 1.000 74.857 -11.780 13.650 -99.200 -91.000 PHE 4 1.000 68.023 -10.759 18.368 -99.200 -91.000 TYR 20 0.840 59.456 10.646 22.273 -99.200 -91.000 TYR 35 0.840 73.955 2.532 22.626 -99.200 -91.000 HIS 37 0.900 68.912 -1.545 16.042 -99.200 -91.000 TYR 44 0.840 60.849 8.729 17.399 -99.200 -91.000 PHE 62 1.000 83.914 6.467 16.490 -99.200 -91.000 PHE 69 1.000 69.343 -2.669 10.816 -99.200 -91.000 TRP 75 1.040 53.036 10.819 12.172 -99.200 -91.000 TRP6 75 1.020 53.085 9.501 14.139 -99.200 -91.000 HIS 79 0.900 49.607 4.548 7.512 -99.200 -91.000 TYR 99 0.840 72.164 1.938 2.876 -99.200 -91.000 TYR 103 0.840 60.328 4.524 5.730 -99.200 -91.000 HIS 106 0.900 56.288 5.735 14.627 -99.200 -91.000 TRP 107 1.040 51.813 4.631 15.872 -99.200 -91.000 TRP6 107 1.020 51.184 3.469 17.827 -99.200 -91.000 TRP 132 1.040 54.092 -4.959 2.702 -99.200 -91.000 TRP6 132 1.020 55.604 -4.410 4.425 -99.200 -91.000 TYR 139 0.840 63.210 -5.835 -0.227 -99.200 -91.000 PHE 152 1.000 50.890 -3.277 10.991 -99.200 -91.000 HIS 176 0.900 57.305 -3.052 29.293 -99.200 -91.000 TRP 179 1.040 52.316 -5.453 26.237 -99.200 -91.000 TRP6 179 1.020 50.294 -6.055 27.295 -99.200 -91.000 HIS 185 0.900 58.795 -12.076 22.156 -99.200 -91.000 HIS 194 0.900 64.533 -9.033 15.659 -99.200 -91.000 TYR 198 0.840 56.968 0.558 21.115 -99.200 -91.000 TRP 237 1.040 62.677 -10.950 30.522 -99.200 -91.000 TRP6 237 1.020 61.300 -9.818 28.985 -99.200 -91.000 HIS 243 0.900 62.225 -8.811 23.393 -99.200 -91.000 PHE 262 1.000 75.649 -7.249 23.513 -99.200 -91.000 TRP 264 1.040 75.768 -9.177 32.124 -99.200 -91.000 TRP6 264 1.020 73.506 -9.121 32.818 -99.200 -91.000 PHE 271 1.000 64.403 -15.757 30.504 -99.200 -91.000 PHE 274 1.000 63.007 -11.244 34.679 -99.200 -91.000 PHE 282 1.000 54.258 0.370 31.574 -99.200 -91.000 PHE 288 1.000 48.025 6.926 15.778 -99.200 -91.000 HIS 290 0.900 36.260 10.104 19.377 -99.200 -91.000 HIS 293 0.900 34.481 12.832 15.625 -99.200 -91.000 PHE 295 1.000 39.038 1.129 9.905 -99.200 -91.000 TYR 296 0.840 42.370 0.464 13.617 -99.200 -91.000 TRP 303 1.040 46.809 -1.410 21.335 -99.200 -91.000 TRP6 303 1.020 48.975 -1.285 20.421 -99.200 -91.000