============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 10 1.000 79.893 -13.373 20.587 -99.200 -91.000 TYR 24 0.840 82.996 -9.581 17.104 -99.200 -91.000 HIS 29 0.900 90.938 -20.379 17.965 -99.200 -91.000 TRP 30 1.040 83.846 -21.366 14.008 -99.200 -91.000 TRP6 30 1.020 81.527 -20.909 13.864 -99.200 -91.000 TYR 34 0.840 91.763 -17.509 22.505 -99.200 -91.000 TYR 39 0.840 80.347 -7.937 21.186 -99.200 -91.000 TYR 40 0.840 81.962 -7.837 26.088 -99.200 -91.000 HIS 48 0.900 87.028 0.208 11.503 -99.200 -91.000 TYR 52 0.840 71.885 -0.320 12.322 -99.200 -91.000 PHE 60 1.000 65.878 -5.244 18.805 -99.200 -91.000 HIS 62 0.900 63.631 0.385 28.001 -99.200 -91.000 TYR 63 0.840 60.810 -0.226 24.609 -99.200 -91.000 PHE 69 1.000 60.622 -4.812 19.411 -99.200 -91.000 PHE 77 1.000 59.168 0.992 19.320 -99.200 -91.000 TYR 83 0.840 50.930 7.015 18.235 -99.200 -91.000 HIS 95 0.900 53.293 -0.549 4.907 -99.200 -91.000 TYR 99 0.840 56.000 -6.138 13.774 -99.200 -91.000 PHE 111 1.000 63.612 -0.880 16.936 -99.200 -91.000 TRP 115 1.040 62.812 2.592 14.494 -99.200 -91.000 TRP6 115 1.020 60.986 4.046 14.115 -99.200 -91.000 PHE 116 1.000 71.555 4.607 8.996 -99.200 -91.000 HIS 136 0.900 44.572 11.606 9.569 -99.200 -91.000 TYR 141 0.840 50.944 5.333 4.365 -99.200 -91.000 PHE 142 1.000 42.003 5.026 4.080 -99.200 -91.000 TYR 146 0.840 40.045 -1.324 3.799 -99.200 -91.000 TYR 148 0.840 50.735 -4.111 7.258 -99.200 -91.000 PHE 150 1.000 41.354 -10.099 5.356 -99.200 -91.000 TYR 169 0.840 42.119 -2.842 13.114 -99.200 -91.000 TRP 170 1.040 35.419 -2.572 7.224 -99.200 -91.000 TRP6 170 1.020 34.181 -4.571 7.241 -99.200 -91.000 PHE 173 1.000 41.948 0.984 7.990 -99.200 -91.000 PHE 174 1.000 35.576 2.148 5.204 -99.200 -91.000 TYR 178 0.840 41.987 8.116 9.081 -99.200 -91.000 TRP 189 1.040 29.589 -3.287 6.170 -99.200 -91.000 TRP6 189 1.020 29.021 -4.933 4.580 -99.200 -91.000 PHE 190 1.000 30.109 -0.720 11.257 -99.200 -91.000 PHE 192 1.000 23.684 -7.577 4.845 -99.200 -91.000 TRP 206 1.040 40.057 -5.396 4.496 -99.200 -91.000 TRP6 206 1.020 39.176 -4.748 6.617 -99.200 -91.000 PHE 211 1.000 28.375 -1.016 -1.564 -99.200 -91.000 PHE 212 1.000 30.885 1.060 2.997 -99.200 -91.000 TYR 215 0.840 27.335 1.897 -6.231 -99.200 -91.000 TYR 225 0.840 24.716 -3.091 -5.770 -99.200 -91.000 TRP 231 1.040 29.301 -4.006 -6.981 -99.200 -91.000 TRP6 231 1.020 31.175 -2.775 -6.176 -99.200 -91.000 PHE 233 1.000 24.592 -13.942 -1.881 -99.200 -91.000 PHE 238 1.000 24.653 -2.643 3.139 -99.200 -91.000 TYR 239 0.840 20.132 -3.128 -4.863 -99.200 -91.000