============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 23 0.840 15.158 14.099 17.847 -99.200 -91.000 PHE 24 1.000 13.430 10.819 26.512 -99.200 -91.000 PHE 28 1.000 18.869 2.859 27.123 -99.200 -91.000 TRP 31 1.040 14.230 6.706 22.741 -99.200 -91.000 TRP6 31 1.020 13.933 4.370 22.471 -99.200 -91.000 HIS 39 0.900 8.115 -6.449 11.917 -99.200 -91.000 TRP 47 1.040 8.916 10.382 17.097 -99.200 -91.000 TRP6 47 1.020 6.592 10.621 17.507 -99.200 -91.000 TRP 57 1.040 2.837 17.120 14.614 -99.200 -91.000 TRP6 57 1.020 4.637 17.444 13.091 -99.200 -91.000 PHE 62 1.000 3.756 8.620 1.681 -99.200 -91.000 TYR 84 0.840 0.666 -1.160 24.203 -99.200 -91.000 PHE 88 1.000 -3.094 5.272 14.316 -99.200 -91.000 HIS 97 0.900 3.836 24.977 2.983 -99.200 -91.000 TRP 99 1.040 -0.269 19.791 7.485 -99.200 -91.000 TRP6 99 1.020 0.863 17.779 7.013 -99.200 -91.000 PHE 102 1.000 -9.173 8.386 6.390 -99.200 -91.000 PHE 103 1.000 -13.843 14.963 9.703 -99.200 -91.000 PHE 111 1.000 -7.251 5.808 11.211 -99.200 -91.000 PHE 118 1.000 5.366 -8.449 22.175 -99.200 -91.000 TYR 133 0.840 4.656 16.950 2.667 -99.200 -91.000 HIS 137 0.900 -1.812 14.685 13.956 -99.200 -91.000 TRP 141 1.040 0.685 7.891 26.229 -99.200 -91.000 TRP6 141 1.020 -0.353 9.821 25.317 -99.200 -91.000 HIS 143 0.900 6.318 3.640 31.052 -99.200 -91.000