============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 10 1.000 25.056 14.072 23.654 -99.200 -91.000 TYR 13 0.840 22.823 6.917 21.553 -99.200 -91.000 TRP 15 1.040 28.024 9.573 19.843 -99.200 -91.000 TRP6 15 1.020 26.117 10.541 18.835 -99.200 -91.000 PHE 27 1.000 29.119 18.777 5.686 -99.200 -91.000 PHE 41 1.000 22.354 20.284 21.569 -99.200 -91.000 PHE 48 1.000 14.723 14.707 19.173 -99.200 -91.000 TYR 63 0.840 14.342 21.301 20.429 -99.200 -91.000 HIS 76 0.900 25.655 20.762 16.816 -99.200 -91.000 TYR 78 0.840 27.118 13.859 8.471 -99.200 -91.000 HIS 86 0.900 17.889 4.958 1.306 -99.200 -91.000 PHE 100 1.000 7.963 25.946 14.715 -99.200 -91.000 TYR 103 0.840 13.193 27.536 21.551 -99.200 -91.000 TYR 109 0.840 25.703 29.285 7.936 -99.200 -91.000 PHE 116 1.000 16.144 18.032 4.973 -99.200 -91.000 TYR 117 0.840 17.678 22.249 6.569 -99.200 -91.000 PHE 122 1.000 13.088 25.156 8.631 -99.200 -91.000 HIS 132 0.900 17.703 27.444 4.390 -99.200 -91.000 PHE 139 1.000 5.160 22.839 12.786 -99.200 -91.000