============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 7 1.000 -4.895 32.074 34.903 -99.200 -91.000 PHE 23 1.000 13.106 22.935 27.965 -99.200 -91.000 TYR 29 0.840 11.706 10.423 28.033 -99.200 -91.000 TYR 31 0.840 5.573 13.307 30.183 -99.200 -91.000 TYR 36 0.840 -0.221 15.776 29.097 -99.200 -91.000 TRP 38 1.040 -7.257 24.173 26.803 -99.200 -91.000 TRP6 38 1.020 -6.033 25.918 27.812 -99.200 -91.000 HIS 41 0.900 -5.244 25.071 33.336 -99.200 -91.000 TYR 44 0.840 -8.003 25.410 38.727 -99.200 -91.000 TYR 48 0.840 -13.744 25.482 41.569 -99.200 -91.000 PHE 57 1.000 -2.891 30.154 48.846 -99.200 -91.000 PHE 65 1.000 3.411 9.411 40.453 -99.200 -91.000 PHE 74 1.000 0.740 23.046 44.885 -99.200 -91.000 HIS 79 0.900 -7.453 15.594 48.674 -99.200 -91.000 TRP 83 1.040 -13.208 20.253 48.793 -99.200 -91.000 TRP6 83 1.020 -11.889 22.192 48.560 -99.200 -91.000 HIS 97 0.900 11.284 6.818 31.498 -99.200 -91.000 PHE 105 1.000 -9.308 14.061 35.921 -99.200 -91.000 PHE 117 1.000 -2.389 24.288 47.572 -99.200 -91.000 TRP 118 1.040 -5.801 21.015 45.494 -99.200 -91.000 TRP6 118 1.020 -6.714 23.185 45.335 -99.200 -91.000 PHE 121 1.000 -5.451 26.432 51.070 -99.200 -91.000 PHE 131 1.000 -8.251 28.045 47.856 -99.200 -91.000 PHE 132 1.000 -10.668 27.352 43.801 -99.200 -91.000 HIS 134 0.900 -12.955 37.457 48.735 -99.200 -91.000 PHE 136 1.000 -7.397 30.355 39.405 -99.200 -91.000 HIS 138 0.900 -0.687 30.153 36.764 -99.200 -91.000 HIS 140 0.900 7.825 31.323 37.373 -99.200 -91.000 PHE 145 1.000 11.281 21.071 32.152 -99.200 -91.000 HIS 148 0.900 19.488 7.990 32.507 -99.200 -91.000 PHE 192 1.000 11.835 28.190 41.349 -99.200 -91.000 HIS 215 0.900 6.475 22.269 47.364 -99.200 -91.000 TRP 227 1.040 3.076 21.656 54.396 -99.200 -91.000 TRP6 227 1.020 0.892 21.964 53.541 -99.200 -91.000