============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 1 0.840 6.077 31.086 31.057 -99.200 -91.000 HIS 9 0.900 -7.118 49.267 48.718 -99.200 -91.000 PHE 11 1.000 -9.497 46.684 40.747 -99.200 -91.000 TRP 14 1.040 -8.549 40.727 35.664 -99.200 -91.000 TRP6 14 1.020 -7.588 38.566 35.729 -99.200 -91.000 TRP 22 1.040 -15.448 38.073 30.776 -99.200 -91.000 TRP6 22 1.020 -15.544 36.538 32.580 -99.200 -91.000 PHE 26 1.000 -20.757 36.848 29.570 -99.200 -91.000 TYR 41 0.840 -25.103 28.663 33.335 -99.200 -91.000 HIS 42 0.900 -30.097 30.079 30.114 -99.200 -91.000 TRP 71 1.040 -21.717 28.154 48.688 -99.200 -91.000 TRP6 71 1.020 -19.862 26.747 48.245 -99.200 -91.000 TYR 74 0.840 -9.483 31.100 49.640 -99.200 -91.000 PHE 82 1.000 -7.663 15.251 44.853 -99.200 -91.000 PHE 85 1.000 -12.179 21.132 44.903 -99.200 -91.000 PHE 86 1.000 -12.551 16.644 48.877 -99.200 -91.000 PHE 94 1.000 -16.320 26.717 42.595 -99.200 -91.000 PHE 99 1.000 -5.099 30.171 34.633 -99.200 -91.000 TYR 108 0.840 -8.735 21.316 26.905 -99.200 -91.000 PHE 115 1.000 -16.118 32.016 29.734 -99.200 -91.000 HIS 116 0.900 -13.758 25.117 34.310 -99.200 -91.000 PHE 119 1.000 -20.626 31.900 30.475 -99.200 -91.000 HIS 121 0.900 -17.738 24.383 37.877 -99.200 -91.000 PHE 130 1.000 -23.749 23.541 41.257 -99.200 -91.000 TYR 133 0.840 -23.758 17.307 44.775 -99.200 -91.000 TYR 137 0.840 -17.063 16.631 46.071 -99.200 -91.000 PHE 151 1.000 -14.443 4.175 44.754 -99.200 -91.000 TYR 156 0.840 -16.158 18.759 41.523 -99.200 -91.000 TRP 157 1.040 -15.470 13.362 34.844 -99.200 -91.000 TRP6 157 1.020 -13.914 15.037 34.210 -99.200 -91.000 PHE 158 1.000 -18.939 10.166 35.208 -99.200 -91.000 PHE 162 1.000 -16.951 17.128 31.544 -99.200 -91.000 TYR 174 0.840 -26.024 18.897 37.020 -99.200 -91.000 TYR 187 0.840 -18.738 14.244 22.937 -99.200 -91.000 PHE 199 1.000 -26.432 10.697 40.370 -99.200 -91.000 TYR 209 0.840 -13.058 10.717 36.270 -99.200 -91.000 TYR 218 0.840 -21.501 13.873 28.631 -99.200 -91.000 TYR 219 0.840 -23.518 7.769 35.128 -99.200 -91.000 PHE 233 1.000 -27.976 9.171 49.761 -99.200 -91.000 HIS 251 0.900 -20.630 0.054 35.656 -99.200 -91.000 PHE 255 1.000 -10.967 0.905 21.605 -99.200 -91.000