============================================================================= 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. HIS 2 0.900 15.712 13.131 11.289 -99.200 -91.000 TRP 15 1.040 6.452 30.214 16.055 -99.200 -91.000 TRP6 15 1.020 8.247 31.119 14.815 -99.200 -91.000 TYR 35 0.840 23.047 38.266 4.595 -99.200 -91.000 TRP 37 1.040 22.638 38.625 -2.435 -99.200 -91.000 TRP6 37 1.020 24.318 38.846 -0.794 -99.200 -91.000 PHE 41 1.000 15.542 37.357 -6.334 -99.200 -91.000 PHE 42 1.000 11.820 40.839 -1.561 -99.200 -91.000 PHE 45 1.000 7.808 43.678 -1.561 -99.200 -91.000 TRP 63 1.040 5.054 39.709 0.037 -99.200 -91.000 TRP6 63 1.020 3.423 41.360 -0.408 -99.200 -91.000 PHE 71 1.000 11.075 30.419 8.603 -99.200 -91.000 HIS 77 0.900 1.446 20.919 8.960 -99.200 -91.000 PHE 85 1.000 8.028 25.588 4.246 -99.200 -91.000 HIS 92 0.900 9.786 31.848 -2.234 -99.200 -91.000 HIS 97 0.900 13.763 31.377 -12.683 -99.200 -91.000 PHE 103 1.000 15.079 29.476 -1.118 -99.200 -91.000 HIS 116 0.900 17.637 43.124 18.684 -99.200 -91.000 HIS 117 0.900 12.923 40.948 18.324 -99.200 -91.000 PHE 118 1.000 11.576 35.297 22.220 -99.200 -91.000 PHE 122 1.000 17.677 31.889 19.691 -99.200 -91.000 TYR 130 0.840 13.402 28.548 17.341 -99.200 -91.000 HIS 143 0.900 11.714 17.999 -3.507 -99.200 -91.000 TYR 145 0.840 16.446 26.383 -7.118 -99.200 -91.000 HIS 146 0.900 17.399 20.294 -2.854 -99.200 -91.000