============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 16.405 32.292 34.948 -99.200 -91.000 TYR 6 0.840 8.647 41.085 27.171 -99.200 -91.000 HIS 15 0.900 -5.442 20.085 3.848 -99.200 -91.000 PHE 18 1.000 -9.245 23.168 6.831 -99.200 -91.000 TYR 21 0.840 -8.396 18.948 16.038 -99.200 -91.000 HIS 33 0.900 -6.812 32.087 24.014 -99.200 -91.000 PHE 42 1.000 3.397 23.772 31.275 -99.200 -91.000 TYR 43 0.840 9.062 28.353 28.298 -99.200 -91.000 HIS 49 0.900 6.362 37.811 30.213 -99.200 -91.000 TRP 58 1.040 0.482 25.777 6.055 -99.200 -91.000 TRP6 58 1.020 2.364 24.367 6.274 -99.200 -91.000 PHE 77 1.000 7.597 25.110 10.694 -99.200 -91.000 TRP 80 1.040 6.838 27.417 4.307 -99.200 -91.000 TRP6 80 1.020 5.797 28.119 6.292 -99.200 -91.000 HIS 91 0.900 7.818 34.070 12.565 -99.200 -91.000 HIS 93 0.900 10.728 28.673 18.446 -99.200 -91.000 PHE 102 1.000 6.616 14.610 13.399 -99.200 -91.000 TYR 111 0.840 16.947 23.067 13.320 -99.200 -91.000 HIS 120 0.900 19.789 26.227 12.234 -99.200 -91.000 HIS 128 0.900 1.402 14.367 22.530 -99.200 -91.000 TRP 134 1.040 -0.914 15.372 29.441 -99.200 -91.000 TRP6 134 1.020 -2.762 13.964 29.587 -99.200 -91.000 HIS 141 0.900 11.079 18.116 25.656 -99.200 -91.000 HIS 145 0.900 15.316 19.738 23.308 -99.200 -91.000 HIS 150 0.900 21.818 21.213 26.601 -99.200 -91.000 HIS 151 0.900 15.837 15.262 25.662 -99.200 -91.000 TYR 175 0.840 3.289 18.073 32.637 -99.200 -91.000 PHE 177 1.000 10.719 24.843 31.152 -99.200 -91.000 TYR 185 0.840 15.955 31.101 29.788 -99.200 -91.000 TYR 188 0.840 20.168 30.260 24.071 -99.200 -91.000 HIS 192 0.900 24.580 30.631 22.906 -99.200 -91.000