============================================================================= 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 29 1.000 -3.689 8.942 12.153 -99.200 -91.000 TYR 32 0.840 -1.149 6.888 20.130 -99.200 -91.000 TRP 33 1.040 -4.406 14.435 21.973 -99.200 -91.000 TRP6 33 1.020 -3.631 15.631 23.839 -99.200 -91.000 TRP 36 1.040 1.565 18.107 9.996 -99.200 -91.000 TRP6 36 1.020 2.924 16.791 8.585 -99.200 -91.000 TRP 47 1.040 2.756 22.336 18.129 -99.200 -91.000 TRP6 47 1.020 1.212 24.116 18.359 -99.200 -91.000 TYR 58 0.840 -11.849 13.972 13.734 -99.200 -91.000 TYR 61 0.840 -6.164 23.116 20.148 -99.200 -91.000 TYR 62 0.840 -4.222 25.466 12.533 -99.200 -91.000 PHE 70 1.000 1.779 26.282 7.392 -99.200 -91.000 TYR 82 0.840 -4.411 13.766 4.293 -99.200 -91.000 TYR 95 0.840 6.979 22.432 7.010 -99.200 -91.000 TYR 96 0.840 11.840 16.286 11.502 -99.200 -91.000 PHE 98 1.000 6.404 15.946 19.148 -99.200 -91.000 TYR 103 0.840 5.388 6.698 19.566 -99.200 -91.000 TRP 104 1.040 10.285 13.782 17.508 -99.200 -91.000 TRP6 104 1.020 10.231 16.042 16.860 -99.200 -91.000 TYR 123 0.840 30.320 16.254 -13.202 -99.200 -91.000 TYR 140 0.840 22.116 19.185 -5.053 -99.200 -91.000 PHE 141 1.000 16.766 25.835 -5.379 -99.200 -91.000 TRP 149 1.040 29.442 6.020 -1.427 -99.200 -91.000 TRP6 149 1.020 30.736 6.376 -3.346 -99.200 -91.000 HIS 159 0.900 33.846 11.349 5.520 -99.200 -91.000 PHE 161 1.000 33.367 15.832 2.859 -99.200 -91.000 TYR 170 0.840 21.317 23.998 -2.067 -99.200 -91.000 TRP 183 1.040 37.489 0.991 -7.100 -99.200 -91.000 TRP6 183 1.020 39.279 2.373 -7.774 -99.200 -91.000 HIS 194 0.900 17.281 17.357 -7.118 -99.200 -91.000