============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.237 -9.475 21.480 -99.200 -91.000 TRP6 21 1.020 19.190 -8.336 20.751 -99.200 -91.000 TYR 40 0.840 15.474 -3.056 37.535 -99.200 -91.000 HIS 42 0.900 11.014 1.553 31.063 -99.200 -91.000 HIS 47 0.900 4.656 -11.688 18.517 -99.200 -91.000 TYR 49 0.840 12.894 -8.079 22.413 -99.200 -91.000 PHE 74 1.000 5.892 4.048 30.626 -99.200 -91.000 TRP 80 1.040 9.091 -8.632 13.419 -99.200 -91.000 TRP6 80 1.020 11.178 -7.694 14.036 -99.200 -91.000 TYR 83 0.840 2.832 -9.267 13.316 -99.200 -91.000 HIS 84 0.900 6.309 -1.548 9.910 -99.200 -91.000 TYR 104 0.840 -3.121 0.495 31.258 -99.200 -91.000 TYR 108 0.840 2.251 -2.035 20.031 -99.200 -91.000 HIS 111 0.900 11.368 -4.397 17.896 -99.200 -91.000 TRP 112 1.040 14.108 -3.025 14.095 -99.200 -91.000 TRP6 112 1.020 16.321 -2.217 13.901 -99.200 -91.000 PHE 116 1.000 11.705 -6.944 7.909 -99.200 -91.000 PHE 122 1.000 8.702 -13.544 14.916 -99.200 -91.000 PHE 123 1.000 14.649 -10.622 11.355 -99.200 -91.000 TRP 142 1.040 2.124 8.421 13.999 -99.200 -91.000 TRP6 142 1.020 3.477 7.525 15.719 -99.200 -91.000 PHE 162 1.000 10.427 5.195 12.764 -99.200 -91.000 HIS 164 0.900 18.116 14.257 10.351 -99.200 -91.000 TYR 178 0.840 -3.623 10.761 19.842 -99.200 -91.000 HIS 188 0.900 27.242 1.501 22.277 -99.200 -91.000 TYR 190 0.840 33.622 1.308 22.950 -99.200 -91.000 TYR 199 0.840 15.094 16.262 14.219 -99.200 -91.000 TYR 210 0.840 18.612 -0.409 20.447 -99.200 -91.000 TRP 220 1.040 25.114 -9.216 15.917 -99.200 -91.000 TRP6 220 1.020 22.773 -9.352 16.214 -99.200 -91.000 HIS 241 0.900 32.515 8.976 40.057 -99.200 -91.000 PHE 252 1.000 27.861 8.431 28.462 -99.200 -91.000 PHE 274 1.000 15.870 0.432 40.989 -99.200 -91.000 PHE 277 1.000 17.623 5.673 40.243 -99.200 -91.000 PHE 279 1.000 27.472 6.424 40.079 -99.200 -91.000 TYR 292 0.840 36.584 7.114 26.805 -99.200 -91.000 TRP 296 1.040 31.094 -1.977 17.569 -99.200 -91.000 TRP6 296 1.020 30.219 -2.640 19.651 -99.200 -91.000 HIS 307 0.900 12.327 -1.889 3.947 -99.200 -91.000 TYR 310 0.840 20.118 -0.354 6.950 -99.200 -91.000 PHE 312 1.000 20.445 1.726 12.104 -99.200 -91.000 HIS 313 0.900 21.848 2.464 3.445 -99.200 -91.000 PHE 316 1.000 21.332 14.273 12.189 -99.200 -91.000