============================================================================= 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. PHE 6 1.000 -1.367 4.081 21.623 -99.200 -91.000 PHE 27 1.000 9.592 5.322 30.439 -99.200 -91.000 PHE 30 1.000 0.139 -0.257 27.563 -99.200 -91.000 TRP 31 1.040 -0.911 5.224 33.876 -99.200 -91.000 TRP6 31 1.020 -2.195 6.309 35.541 -99.200 -91.000 TRP 34 1.040 -4.394 -1.684 40.354 -99.200 -91.000 TRP6 34 1.020 -5.702 -1.218 38.444 -99.200 -91.000 PHE 42 1.000 2.161 7.758 36.480 -99.200 -91.000 TYR 44 0.840 11.449 7.512 41.699 -99.200 -91.000 TYR 49 0.840 7.604 14.815 29.492 -99.200 -91.000 HIS 51 0.900 18.361 15.047 30.896 -99.200 -91.000 PHE 52 1.000 16.339 11.448 29.316 -99.200 -91.000 HIS 72 0.900 -8.405 16.312 38.056 -99.200 -91.000 PHE 74 1.000 -1.615 7.405 40.260 -99.200 -91.000 TYR 78 0.840 0.953 9.304 43.568 -99.200 -91.000 PHE 82 1.000 4.147 11.312 33.342 -99.200 -91.000 TYR 96 0.840 1.557 -1.554 22.546 -99.200 -91.000 PHE 105 1.000 4.881 -2.978 25.792 -99.200 -91.000 HIS 127 0.900 19.536 10.086 33.086 -99.200 -91.000 TYR 129 0.840 15.157 0.630 31.518 -99.200 -91.000