============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 2 0.900 37.501 -9.328 10.311 -99.200 -91.000 HIS 8 0.900 42.900 -3.788 7.951 -99.200 -91.000 PHE 33 1.000 45.045 17.488 17.008 -99.200 -91.000 TRP 35 1.040 41.520 8.130 15.942 -99.200 -91.000 TRP6 35 1.020 41.845 8.502 13.629 -99.200 -91.000 TYR 36 0.840 36.436 13.263 19.475 -99.200 -91.000 PHE 37 1.000 31.357 7.455 14.569 -99.200 -91.000 PHE 50 1.000 27.642 3.115 12.138 -99.200 -91.000 TYR 56 0.840 43.943 6.370 25.053 -99.200 -91.000 PHE 57 1.000 42.109 -1.430 25.530 -99.200 -91.000 HIS 71 0.900 41.159 -1.597 21.533 -99.200 -91.000 PHE 72 1.000 36.308 4.937 17.551 -99.200 -91.000 HIS 73 0.900 35.858 -2.812 21.488 -99.200 -91.000 HIS 82 0.900 24.708 -0.009 7.318 -99.200 -91.000 TYR 88 0.840 44.532 11.889 16.347 -99.200 -91.000 TRP 92 1.040 38.846 22.848 21.597 -99.200 -91.000 TRP6 92 1.020 40.136 21.043 22.402 -99.200 -91.000 HIS 97 0.900 49.356 21.293 8.953 -99.200 -91.000 PHE 102 1.000 39.960 3.454 9.791 -99.200 -91.000 TYR 105 0.840 33.298 3.034 2.407 -99.200 -91.000