============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 50 1.000 -15.149 -2.542 -4.202 -99.200 -91.000 HIS 52 0.900 -10.388 0.142 -13.386 -99.200 -91.000 HIS 55 0.900 -11.926 -5.090 0.094 -99.200 -91.000 HIS 58 0.900 -13.452 0.981 -4.711 -99.200 -91.000 PHE 59 1.000 -13.521 2.157 5.874 -99.200 -91.000 HIS 74 0.900 -34.788 17.628 6.039 -99.200 -91.000 TYR 111 0.840 -2.154 -15.117 -18.806 -99.200 -91.000 TYR 124 0.840 -12.895 -19.018 -21.265 -99.200 -91.000 PHE 155 1.000 -3.362 -25.735 -31.207 -99.200 -91.000 HIS 180 0.900 -18.856 -23.078 -20.740 -99.200 -91.000 HIS 190 0.900 -11.114 -9.337 0.428 -99.200 -91.000 PHE 195 1.000 -15.939 -1.680 0.551 -99.200 -91.000 TYR 199 0.840 -16.304 -1.634 5.404 -99.200 -91.000 PHE 203 1.000 -29.724 -0.489 -4.189 -99.200 -91.000 PHE 208 1.000 -19.642 -11.988 -19.479 -99.200 -91.000 TYR 228 0.840 -17.265 -9.077 7.963 -99.200 -91.000 PHE 251 1.000 -34.477 -9.884 -18.864 -99.200 -91.000 PHE 278 1.000 -34.192 -0.737 -32.000 -99.200 -91.000 PHE 341 1.000 -17.428 20.736 -18.065 -99.200 -91.000 PHE 343 1.000 -20.161 19.115 -9.005 -99.200 -91.000 TYR 362 0.840 -47.585 9.161 -15.230 -99.200 -91.000 TYR 366 0.840 -54.262 0.886 -13.661 -99.200 -91.000 HIS 367 0.900 -57.011 0.848 -17.795 -99.200 -91.000 HIS 370 0.900 -55.725 -3.959 -14.216 -99.200 -91.000 HIS 392 0.900 -57.023 9.433 -13.861 -99.200 -91.000 TYR 415 0.840 -50.332 -2.933 -11.151 -99.200 -91.000 TYR 443 0.840 -42.120 11.410 4.271 -99.200 -91.000 HIS 449 0.900 -45.525 -2.527 15.895 -99.200 -91.000 HIS 450 0.900 -50.095 1.841 17.962 -99.200 -91.000 PHE 473 1.000 -60.636 13.972 -1.695 -99.200 -91.000 HIS 478 0.900 -53.718 1.216 6.913 -99.200 -91.000