============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 7 1.000 41.028 74.434 8.958 -99.200 -91.000 HIS 28 0.900 29.018 76.921 -1.586 -99.200 -91.000 PHE 29 1.000 36.180 77.351 1.254 -99.200 -91.000 TRP 30 1.040 28.966 81.383 1.194 -99.200 -91.000 TRP6 30 1.020 27.769 83.311 1.866 -99.200 -91.000 TRP 33 1.040 31.738 90.287 -3.452 -99.200 -91.000 TRP6 33 1.020 33.038 89.740 -5.342 -99.200 -91.000 PHE 44 1.000 25.620 74.919 -1.322 -99.200 -91.000 PHE 47 1.000 22.385 69.350 1.019 -99.200 -91.000 TYR 48 0.840 20.542 73.628 7.431 -99.200 -91.000 HIS 51 0.900 19.083 66.572 8.343 -99.200 -91.000 PHE 76 1.000 23.834 87.783 0.653 -99.200 -91.000 PHE 84 1.000 23.216 78.281 3.684 -99.200 -91.000 TYR 97 0.840 39.755 72.631 2.908 -99.200 -91.000 HIS 98 0.900 46.218 74.283 -1.610 -99.200 -91.000 PHE 106 1.000 37.198 72.018 -1.791 -99.200 -91.000 TRP 129 1.040 28.883 65.804 -4.487 -99.200 -91.000 TRP6 129 1.020 30.131 67.741 -3.996 -99.200 -91.000