============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 8 1.000 -3.146 18.041 -9.020 -99.200 -91.000 TRP 9 1.040 -2.450 15.747 -4.093 -99.200 -91.000 TRP6 9 1.020 -1.750 14.297 -5.809 -99.200 -91.000 HIS 18 0.900 -13.331 7.518 6.977 -99.200 -91.000 TYR 23 0.840 -11.284 16.929 3.300 -99.200 -91.000 TYR 24 0.840 -13.876 7.671 2.477 -99.200 -91.000 HIS 32 0.900 -10.448 -15.560 -1.186 -99.200 -91.000 HIS 43 0.900 -15.296 -7.081 -0.027 -99.200 -91.000 TYR 45 0.840 -6.973 -6.198 -1.844 -99.200 -91.000 TYR 49 0.840 -5.854 7.093 -4.341 -99.200 -91.000 PHE 50 1.000 -7.064 9.978 6.163 -99.200 -91.000 HIS 59 0.900 -11.476 14.370 15.025 -99.200 -91.000 HIS 61 0.900 -9.670 5.800 13.341 -99.200 -91.000 TRP 69 1.040 -2.132 4.379 8.165 -99.200 -91.000 TRP6 69 1.020 -3.481 6.298 7.918 -99.200 -91.000 TYR 71 0.840 5.191 11.289 1.452 -99.200 -91.000 HIS 72 0.900 0.356 7.138 -2.484 -99.200 -91.000 HIS 80 0.900 -1.042 12.289 16.864 -99.200 -91.000 TYR 95 0.840 -6.198 -0.296 24.045 -99.200 -91.000 TYR 98 0.840 0.953 9.164 21.786 -99.200 -91.000 TYR 115 0.840 3.599 2.379 12.104 -99.200 -91.000 PHE 123 1.000 -5.865 3.467 13.449 -99.200 -91.000 TYR 138 0.840 -0.918 17.854 -0.040 -99.200 -91.000 PHE 149 1.000 -13.651 0.699 7.430 -99.200 -91.000 TYR 151 0.840 -18.073 3.047 7.389 -99.200 -91.000 PHE 154 1.000 -15.011 4.487 12.002 -99.200 -91.000 PHE 157 1.000 -12.531 4.132 21.082 -99.200 -91.000 TYR 166 0.840 -7.798 2.885 27.511 -99.200 -91.000 HIS 169 0.900 -1.757 6.546 26.955 -99.200 -91.000 TYR 178 0.840 -14.920 13.210 15.675 -99.200 -91.000