============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 7 1.000 2.109 0.707 2.335 -99.200 -91.000 TYR 9 0.840 8.830 2.780 2.586 -99.200 -91.000 PHE 18 1.000 14.707 -8.012 19.233 -99.200 -91.000 TYR 32 0.840 0.398 11.261 5.407 -99.200 -91.000 TYR 33 0.840 -2.566 3.409 6.907 -99.200 -91.000 HIS 51 0.900 9.429 -12.926 21.877 -99.200 -91.000 HIS 64 0.900 -10.501 -1.399 23.897 -99.200 -91.000 PHE 66 1.000 -9.492 3.976 24.887 -99.200 -91.000 TYR 72 0.840 -3.071 -2.714 3.430 -99.200 -91.000 PHE 74 1.000 3.991 -4.973 3.126 -99.200 -91.000 HIS 77 0.900 13.381 -9.537 -1.577 -99.200 -91.000 PHE 82 1.000 3.919 -7.137 12.397 -99.200 -91.000 TYR 86 0.840 2.190 9.307 12.669 -99.200 -91.000 PHE 93 1.000 11.428 7.267 27.853 -99.200 -91.000 PHE 94 1.000 8.686 14.098 22.971 -99.200 -91.000 HIS 95 0.900 3.439 13.891 25.050 -99.200 -91.000 PHE 102 1.000 1.817 12.551 31.953 -99.200 -91.000 PHE 109 1.000 -8.350 10.721 28.843 -99.200 -91.000 TYR 110 0.840 -2.525 10.290 29.375 -99.200 -91.000 TYR 120 0.840 -10.953 -6.295 23.012 -99.200 -91.000 HIS 122 0.900 -5.817 -9.027 31.629 -99.200 -91.000 TYR 129 0.840 1.182 -4.883 26.132 -99.200 -91.000 HIS 144 0.900 -9.578 9.540 23.377 -99.200 -91.000 PHE 150 1.000 -0.623 -4.696 20.905 -99.200 -91.000 PHE 165 1.000 13.418 -13.346 34.113 -99.200 -91.000 TYR 171 0.840 7.955 -0.286 33.288 -99.200 -91.000 TYR 182 0.840 4.264 -14.799 34.388 -99.200 -91.000 TRP 188 1.040 -4.975 -6.492 36.792 -99.200 -91.000 TRP6 188 1.020 -5.832 -5.069 35.115 -99.200 -91.000 TRP 189 1.040 4.828 -4.991 39.156 -99.200 -91.000 TRP6 189 1.020 5.246 -4.781 41.514 -99.200 -91.000 TYR 196 0.840 5.907 5.109 42.768 -99.200 -91.000 PHE 205 1.000 9.693 -1.423 44.139 -99.200 -91.000 TYR 206 0.840 16.857 3.434 37.644 -99.200 -91.000 HIS 210 0.900 18.902 -5.008 34.023 -99.200 -91.000 PHE 214 1.000 15.921 -8.365 37.813 -99.200 -91.000 PHE 224 1.000 2.746 4.715 49.498 -99.200 -91.000 HIS 261 0.900 -8.702 2.360 44.643 -99.200 -91.000 PHE 263 1.000 -6.440 7.624 40.680 -99.200 -91.000 PHE 264 1.000 -8.985 4.301 37.598 -99.200 -91.000 TRP 269 1.040 -14.936 2.325 34.940 -99.200 -91.000 TRP6 269 1.020 -12.617 2.401 34.423 -99.200 -91.000 HIS 271 0.900 -20.725 8.489 29.340 -99.200 -91.000 TYR 273 0.840 -15.705 -0.016 23.728 -99.200 -91.000 PHE 281 1.000 -0.345 17.128 24.739 -99.200 -91.000 TYR 293 0.840 3.528 16.544 20.510 -99.200 -91.000 PHE 294 1.000 6.401 9.838 16.809 -99.200 -91.000 PHE 298 1.000 14.871 6.634 17.987 -99.200 -91.000 HIS 306 0.900 5.657 -17.786 2.597 -99.200 -91.000 PHE 307 1.000 8.715 -15.417 9.408 -99.200 -91.000 PHE 310 1.000 4.062 -11.183 8.692 -99.200 -91.000 TYR 312 0.840 -5.420 -8.765 8.965 -99.200 -91.000