============================================================================= 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. HIS 19 0.900 37.930 -23.058 -9.504 -99.200 -91.000 PHE 21 1.000 33.537 -18.401 -9.669 -99.200 -91.000 PHE 50 1.000 32.870 -21.882 -13.368 -99.200 -91.000 PHE 52 1.000 31.590 -14.913 -19.251 -99.200 -91.000 PHE 59 1.000 30.636 -10.308 -13.795 -99.200 -91.000 TYR 63 0.840 23.009 -0.478 -16.774 -99.200 -91.000 TYR 66 0.840 10.233 -1.775 -16.794 -99.200 -91.000 TYR 73 0.840 10.141 -3.436 -7.220 -99.200 -91.000 PHE 74 1.000 13.531 -4.229 -11.952 -99.200 -91.000 PHE 78 1.000 18.971 2.408 -8.476 -99.200 -91.000 PHE 82 1.000 17.650 -3.552 -8.707 -99.200 -91.000 TYR 84 0.840 19.901 -10.532 -8.669 -99.200 -91.000 TYR 90 0.840 22.602 -24.220 -14.165 -99.200 -91.000 PHE 108 1.000 22.848 1.996 -11.833 -99.200 -91.000 PHE 114 1.000 26.816 -18.567 -10.624 -99.200 -91.000 TYR 137 0.840 10.077 -12.553 -25.808 -99.200 -91.000 TYR 141 0.840 5.125 -13.612 -11.044 -99.200 -91.000 PHE 155 1.000 23.936 -21.229 -20.472 -99.200 -91.000 HIS 162 0.900 19.391 -24.069 -28.705 -99.200 -91.000 PHE 163 1.000 22.498 -27.936 -19.528 -99.200 -91.000 TYR 165 0.840 19.976 -20.613 -16.656 -99.200 -91.000 HIS 166 0.900 11.790 -22.344 -13.200 -99.200 -91.000 TYR 171 0.840 14.406 -9.171 -10.459 -99.200 -91.000 TYR 183 0.840 2.370 -12.213 -16.386 -99.200 -91.000 HIS 184 0.900 6.507 -5.864 -16.381 -99.200 -91.000 PHE 185 1.000 5.141 -11.841 -21.408 -99.200 -91.000 HIS 188 0.900 16.315 -10.164 -19.874 -99.200 -91.000 TYR 196 0.840 41.674 -11.459 -19.235 -99.200 -91.000 HIS 200 0.900 24.919 -4.301 -26.083 -99.200 -91.000 HIS 207 0.900 1.430 -4.862 -20.195 -99.200 -91.000