============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 35.762 -88.288 43.305 -99.200 -91.000 PHE 7 1.000 35.887 -86.992 37.768 -99.200 -91.000 PHE 12 1.000 47.780 -81.699 28.752 -99.200 -91.000 TYR 23 0.840 48.787 -76.360 41.532 -99.200 -91.000 TYR 75 0.840 61.253 -88.733 51.074 -99.200 -91.000 TYR 82 0.840 61.316 -92.842 49.958 -99.200 -91.000 HIS 94 0.900 61.508-109.519 44.598 -99.200 -91.000 TYR 97 0.840 64.779-107.707 34.805 -99.200 -91.000 TYR 101 0.840 63.749-111.300 31.675 -99.200 -91.000 TYR 104 0.840 67.299-109.195 43.427 -99.200 -91.000 PHE 130 1.000 52.662 -92.164 43.901 -99.200 -91.000 HIS 139 0.900 77.460-102.788 39.574 -99.200 -91.000 PHE 142 1.000 75.956-107.811 30.523 -99.200 -91.000 PHE 145 1.000 79.417 -98.765 41.098 -99.200 -91.000 TYR 148 0.840 68.961 -93.799 35.524 -99.200 -91.000 TYR 156 0.840 63.154 -92.802 33.148 -99.200 -91.000 PHE 157 1.000 64.802 -85.478 34.529 -99.200 -91.000 TRP 159 1.040 70.243 -85.815 37.566 -99.200 -91.000 TRP6 159 1.020 70.755 -83.657 36.750 -99.200 -91.000 PHE 174 1.000 80.397 -77.691 48.113 -99.200 -91.000 TRP 179 1.040 80.924 -85.718 39.670 -99.200 -91.000 TRP6 179 1.020 81.447 -86.111 37.392 -99.200 -91.000 HIS 190 0.900 85.774 -84.543 52.438 -99.200 -91.000 PHE 204 1.000 76.279 -82.228 58.372 -99.200 -91.000 TYR 223 0.840 73.454-117.252 50.444 -99.200 -91.000 PHE 234 1.000 71.065 -99.751 50.339 -99.200 -91.000