============================================================================= 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. TRP 29 1.040 23.381 27.385 11.399 -99.200 -91.000 TRP6 29 1.020 23.347 26.039 9.493 -99.200 -91.000 HIS 31 0.900 26.180 21.542 18.018 -99.200 -91.000 HIS 42 0.900 14.220 17.545 0.855 -99.200 -91.000 HIS 50 0.900 22.520 36.400 9.218 -99.200 -91.000 TYR 54 0.840 20.783 29.954 8.357 -99.200 -91.000 TYR 69 0.840 -0.276 35.096 6.697 -99.200 -91.000 TRP 87 1.040 3.586 12.289 7.699 -99.200 -91.000 TRP6 87 1.020 2.399 12.892 9.610 -99.200 -91.000 PHE 88 1.000 6.699 19.528 5.068 -99.200 -91.000 PHE 90 1.000 7.652 22.589 10.208 -99.200 -91.000 TYR 97 0.840 23.429 19.933 24.139 -99.200 -91.000 HIS 108 0.900 5.122 3.740 18.973 -99.200 -91.000 TRP 117 1.040 3.327 20.163 21.775 -99.200 -91.000 TRP6 117 1.020 1.028 20.064 21.325 -99.200 -91.000 HIS 119 0.900 5.508 18.547 28.971 -99.200 -91.000 HIS 125 0.900 11.196 22.429 24.564 -99.200 -91.000 TYR 142 0.840 -4.094 30.066 14.795 -99.200 -91.000 PHE 153 1.000 -2.517 25.347 13.229 -99.200 -91.000 HIS 160 0.900 -0.747 13.199 20.859 -99.200 -91.000 PHE 164 1.000 10.548 13.036 22.355 -99.200 -91.000 HIS 167 0.900 14.298 10.684 24.666 -99.200 -91.000 PHE 171 1.000 13.535 17.232 23.327 -99.200 -91.000 TRP 183 1.040 23.690 24.284 28.413 -99.200 -91.000 TRP6 183 1.020 23.279 22.199 29.423 -99.200 -91.000