============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 1 1.000 14.132 20.402 4.401 -99.200 -91.000 PHE 6 1.000 14.759 15.923 0.425 -99.200 -91.000 TYR 18 0.840 9.741 7.059 -4.887 -99.200 -91.000 PHE 27 1.000 20.147 11.994 8.323 -99.200 -91.000 PHE 35 1.000 1.079 11.090 -7.158 -99.200 -91.000 HIS 46 0.900 -10.508 17.525 8.062 -99.200 -91.000 HIS 57 0.900 3.685 18.032 17.000 -99.200 -91.000 HIS 60 0.900 11.034 5.406 22.616 -99.200 -91.000 TYR 67 0.840 14.709 12.320 9.982 -99.200 -91.000 TYR 69 0.840 4.691 18.469 8.116 -99.200 -91.000 PHE 70 1.000 9.622 18.099 0.531 -99.200 -91.000 HIS 71 0.900 2.127 22.440 0.193 -99.200 -91.000 TYR 77 0.840 7.285 15.729 -2.679 -99.200 -91.000 PHE 82 1.000 16.930 2.934 4.535 -99.200 -91.000 TYR 89 0.840 5.349 -8.096 5.736 -99.200 -91.000 HIS 95 0.900 14.783 -15.513 10.882 -99.200 -91.000 PHE 98 1.000 10.857 -12.448 14.709 -99.200 -91.000 PHE 106 1.000 12.061 -7.660 17.103 -99.200 -91.000 HIS 115 0.900 6.085 4.797 30.537 -99.200 -91.000 TYR 116 0.840 8.123 9.773 23.489 -99.200 -91.000 HIS 118 0.900 -0.338 3.583 26.314 -99.200 -91.000 HIS 124 0.900 0.251 1.963 16.815 -99.200 -91.000 TYR 136 0.840 24.253 -0.422 11.342 -99.200 -91.000 PHE 145 1.000 2.770 6.511 15.825 -99.200 -91.000 TRP 147 1.040 -6.942 1.550 12.245 -99.200 -91.000 TRP6 147 1.020 -9.086 2.479 11.864 -99.200 -91.000 HIS 150 0.900 -3.499 14.315 22.824 -99.200 -91.000 TYR 164 0.840 -1.845 -8.603 16.391 -99.200 -91.000 HIS 175 0.900 -11.149 2.191 22.055 -99.200 -91.000 TRP 182 1.040 -6.200 -8.058 23.233 -99.200 -91.000 TRP6 182 1.020 -7.093 -9.767 24.621 -99.200 -91.000 TYR 189 0.840 -0.093 -17.522 20.964 -99.200 -91.000 PHE 191 1.000 7.221 -9.716 17.885 -99.200 -91.000 PHE 198 1.000 -7.062 -14.753 21.592 -99.200 -91.000 HIS 203 0.900 -13.316 -12.088 9.330 -99.200 -91.000 HIS 207 0.900 -15.128 -10.351 15.858 -99.200 -91.000 PHE 217 1.000 -0.080 -19.220 26.880 -99.200 -91.000 PHE 220 1.000 6.531 -23.532 20.115 -99.200 -91.000 TYR 235 0.840 -14.027 -9.877 29.448 -99.200 -91.000 HIS 236 0.900 -12.818 -8.244 34.049 -99.200 -91.000 HIS 249 0.900 7.456 -11.425 32.882 -99.200 -91.000 TRP 251 1.040 10.649 -14.779 28.421 -99.200 -91.000 TRP6 251 1.020 9.895 -13.395 26.651 -99.200 -91.000 TYR 264 0.840 24.614 16.744 17.666 -99.200 -91.000