============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 7 1.000 26.262 11.480 43.643 -99.200 -91.000 TYR 14 0.840 28.475 -1.030 28.880 -99.200 -91.000 TRP 24 1.040 16.812 -3.332 32.696 -99.200 -91.000 TRP6 24 1.020 15.673 -4.967 33.988 -99.200 -91.000 HIS 30 0.900 20.500 -6.598 44.992 -99.200 -91.000 TYR 38 0.840 21.292 14.317 44.472 -99.200 -91.000 TYR 41 0.840 21.188 19.958 44.235 -99.200 -91.000 TYR 53 0.840 17.452 21.654 30.140 -99.200 -91.000 TYR 65 0.840 16.321 22.114 35.531 -99.200 -91.000 TYR 67 0.840 19.581 18.516 38.738 -99.200 -91.000 TYR 73 0.840 27.234 27.991 32.987 -99.200 -91.000 HIS 78 0.900 18.590 23.988 20.234 -99.200 -91.000 TYR 88 0.840 20.133 26.374 25.860 -99.200 -91.000 TRP 89 1.040 30.649 26.684 26.979 -99.200 -91.000 TRP6 89 1.020 31.420 28.853 27.537 -99.200 -91.000 TRP 109 1.040 26.723 16.604 39.681 -99.200 -91.000 TRP6 109 1.020 24.411 16.280 40.059 -99.200 -91.000 TYR 129 0.840 37.721 11.998 39.167 -99.200 -91.000 PHE 137 1.000 30.300 -8.210 35.720 -99.200 -91.000 PHE 145 1.000 34.966 7.514 34.038 -99.200 -91.000 TYR 160 0.840 30.107 5.424 51.466 -99.200 -91.000 TYR 167 0.840 27.251 5.437 47.354 -99.200 -91.000 TYR 170 0.840 39.013 6.514 42.948 -99.200 -91.000