============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 42.435 2.142 -5.497 -99.200 -91.000 HIS 40 0.900 32.282 -12.352 10.938 -99.200 -91.000 HIS 62 0.900 31.841 -8.902 26.888 -99.200 -91.000 TYR 72 0.840 41.427 5.388 16.875 -99.200 -91.000 HIS 73 0.900 39.382 0.142 23.449 -99.200 -91.000 HIS 144 0.900 22.187 3.450 -5.721 -99.200 -91.000 PHE 171 1.000 9.489 -15.828 -4.030 -99.200 -91.000 TRP 174 1.040 6.713 -17.133 -8.709 -99.200 -91.000 TRP6 174 1.020 6.673 -18.465 -6.759 -99.200 -91.000 HIS 181 0.900 -0.237 -21.189 -1.884 -99.200 -91.000 HIS 190 0.900 19.250 -21.282 0.450 -99.200 -91.000 TRP 193 1.040 30.678 -17.661 2.663 -99.200 -91.000 TRP6 193 1.020 32.592 -16.377 3.164 -99.200 -91.000 HIS 217 0.900 14.563 12.578 -4.555 -99.200 -91.000 PHE 220 1.000 23.234 9.024 -9.114 -99.200 -91.000 TYR 224 0.840 11.721 9.729 -4.342 -99.200 -91.000 HIS 232 0.900 18.892 -7.198 -17.979 -99.200 -91.000 HIS 238 0.900 25.476 -4.741 -13.659 -99.200 -91.000 PHE 243 1.000 21.728 11.319 -21.049 -99.200 -91.000 TRP 267 1.040 33.774 9.516 -9.383 -99.200 -91.000 TRP6 267 1.020 32.454 8.347 -10.957 -99.200 -91.000 PHE 280 1.000 28.992 -7.771 -26.406 -99.200 -91.000 HIS 281 0.900 34.977 -13.293 -29.076 -99.200 -91.000 TRP 286 1.040 22.540 -8.223 -22.547 -99.200 -91.000 TRP6 286 1.020 23.762 -6.289 -23.159 -99.200 -91.000 PHE 288 1.000 16.440 -4.407 -20.922 -99.200 -91.000 PHE 296 1.000 6.540 -9.193 -7.117 -99.200 -91.000 TYR 316 0.840 10.118 1.485 1.780 -99.200 -91.000 PHE 327 1.000 8.459 -14.872 4.517 -99.200 -91.000 PHE 334 1.000 7.560 -12.547 -0.487 -99.200 -91.000 HIS 346 0.900 -3.199 5.988 5.834 -99.200 -91.000 TRP 351 1.040 7.907 9.387 13.085 -99.200 -91.000 TRP6 351 1.020 9.443 10.322 14.616 -99.200 -91.000 TRP 367 1.040 5.721 6.235 15.852 -99.200 -91.000 TRP6 367 1.020 4.888 5.656 13.715 -99.200 -91.000