============================================================================= 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 4 1.000 11.060 22.173 19.604 -99.200 -91.000 HIS 5 0.900 4.837 22.517 11.205 -99.200 -91.000 TRP 17 1.040 5.266 8.272 8.058 -99.200 -91.000 TRP6 17 1.020 2.998 7.645 8.165 -99.200 -91.000 PHE 52 1.000 3.825 18.945 26.121 -99.200 -91.000 PHE 62 1.000 -1.799 16.242 29.082 -99.200 -91.000 HIS 63 0.900 -4.613 21.910 32.288 -99.200 -91.000 PHE 69 1.000 -5.400 13.413 20.235 -99.200 -91.000 TYR 72 0.840 -6.594 21.011 16.289 -99.200 -91.000 TYR 86 0.840 -0.866 8.568 15.122 -99.200 -91.000 TYR 94 0.840 6.806 8.096 25.770 -99.200 -91.000 PHE 97 1.000 3.111 16.570 31.749 -99.200 -91.000 PHE 98 1.000 2.832 13.680 27.701 -99.200 -91.000 PHE 102 1.000 -3.783 14.387 35.792 -99.200 -91.000 TYR 116 0.840 9.078 15.757 18.124 -99.200 -91.000 PHE 124 1.000 11.796 5.573 21.513 -99.200 -91.000 TRP 126 1.040 4.765 5.915 14.181 -99.200 -91.000 TRP6 126 1.020 3.654 7.899 13.567 -99.200 -91.000