============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 33.228 13.917 36.568 -99.200 -91.000 PHE 8 1.000 29.765 5.187 37.911 -99.200 -91.000 TYR 10 0.840 23.714 4.146 28.322 -99.200 -91.000 PHE 11 1.000 24.889 3.682 37.504 -99.200 -91.000 TYR 12 0.840 19.209 6.571 37.944 -99.200 -91.000 PHE 33 1.000 6.027 4.654 34.503 -99.200 -91.000 PHE 37 1.000 -1.749 12.587 33.726 -99.200 -91.000 TYR 48 0.840 24.544 8.927 25.296 -99.200 -91.000 PHE 53 1.000 15.495 8.428 16.823 -99.200 -91.000 TYR 73 0.840 8.423 4.765 26.910 -99.200 -91.000 TYR 81 0.840 18.448 2.134 38.297 -99.200 -91.000 TYR 95 0.840 42.172 1.762 39.254 -99.200 -91.000 TYR 108 0.840 34.501 15.818 40.280 -99.200 -91.000 TYR 118 0.840 47.108 17.110 32.286 -99.200 -91.000 TYR 122 0.840 43.920 8.874 26.419 -99.200 -91.000 PHE 150 1.000 38.762 24.689 32.742 -99.200 -91.000 PHE 210 1.000 33.465 40.573 43.251 -99.200 -91.000 TYR 224 0.840 32.399 28.048 39.834 -99.200 -91.000 TYR 233 0.840 37.473 25.252 41.068 -99.200 -91.000 TYR 264 0.840 -1.858 11.719 49.274 -99.200 -91.000 PHE 266 1.000 0.530 11.508 59.698 -99.200 -91.000 TYR 273 0.840 12.018 8.884 61.401 -99.200 -91.000 TYR 274 0.840 13.993 1.258 53.715 -99.200 -91.000 HIS 285 0.900 13.817 22.617 57.515 -99.200 -91.000 PHE 302 1.000 11.918 18.842 67.782 -99.200 -91.000 HIS 304 0.900 14.766 16.227 71.503 -99.200 -91.000 TYR 312 0.840 3.738 9.173 61.807 -99.200 -91.000 PHE 337 1.000 12.460 13.396 59.028 -99.200 -91.000 PHE 340 1.000 21.151 13.271 58.549 -99.200 -91.000