============================================================================= 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. TRP 17 1.040 41.096 43.433 7.608 -99.200 -91.000 TRP6 17 1.020 43.063 44.734 7.653 -99.200 -91.000 HIS 19 0.900 44.477 36.959 10.027 -99.200 -91.000 HIS 22 0.900 56.117 35.946 6.162 -99.200 -91.000 TYR 26 0.840 66.511 30.842 18.148 -99.200 -91.000 PHE 34 1.000 87.520 35.025 9.212 -99.200 -91.000 TYR 41 0.840 71.692 32.155 19.723 -99.200 -91.000 PHE 49 1.000 57.863 37.098 -5.814 -99.200 -91.000 PHE 55 1.000 62.940 36.770 9.534 -99.200 -91.000 PHE 59 1.000 49.226 36.532 1.969 -99.200 -91.000 PHE 86 1.000 60.872 23.134 12.061 -99.200 -91.000 TYR 93 0.840 51.661 36.503 18.297 -99.200 -91.000 HIS 97 0.900 54.546 44.947 13.827 -99.200 -91.000 HIS 107 0.900 48.841 37.240 12.690 -99.200 -91.000 PHE 108 1.000 59.452 37.409 13.110 -99.200 -91.000 TYR 109 0.840 53.531 32.389 14.771 -99.200 -91.000 HIS 131 0.900 66.114 26.511 -4.772 -99.200 -91.000 TYR 144 0.840 80.123 37.410 11.836 -99.200 -91.000 PHE 156 1.000 71.594 39.540 6.522 -99.200 -91.000 PHE 161 1.000 66.969 43.014 5.538 -99.200 -91.000