============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.886 -75.412 52.872 -99.200 -91.000 PHE 11 1.000 37.847 -84.446 57.639 -99.200 -91.000 PHE 18 1.000 29.858 -76.659 58.119 -99.200 -91.000 TYR 22 0.840 24.201 -78.169 56.264 -99.200 -91.000 PHE 44 1.000 14.270-100.238 72.979 -99.200 -91.000 HIS 69 0.900 19.061-110.490 70.377 -99.200 -91.000 TYR 74 0.840 13.430 -95.798 62.650 -99.200 -91.000 HIS 83 0.900 19.362 -98.314 53.508 -99.200 -91.000 PHE 95 1.000 27.721-112.352 66.276 -99.200 -91.000 TYR 99 0.840 30.988-115.333 64.710 -99.200 -91.000 PHE 108 1.000 21.613-104.397 65.930 -99.200 -91.000 TYR 115 0.840 24.650 -99.796 56.144 -99.200 -91.000 HIS 119 0.900 25.580 -95.339 54.084 -99.200 -91.000 TYR 122 0.840 33.060 -94.352 50.390 -99.200 -91.000 PHE 128 1.000 21.943 -94.728 56.904 -99.200 -91.000 PHE 134 1.000 21.405 -99.658 68.701 -99.200 -91.000 HIS 143 0.900 24.434-105.031 77.000 -99.200 -91.000 TYR 145 0.840 25.120 -99.898 72.881 -99.200 -91.000 TYR 153 0.840 28.524 -97.546 68.669 -99.200 -91.000 TRP 154 1.040 29.352 -91.898 72.926 -99.200 -91.000 TRP6 154 1.020 31.580 -92.695 72.983 -99.200 -91.000 TYR 156 0.840 23.487 -92.259 75.181 -99.200 -91.000 HIS 178 0.900 14.969 -87.559 92.294 -99.200 -91.000 TYR 196 0.840 0.315 -89.227 77.321 -99.200 -91.000 HIS 199 0.900 2.006 -84.340 71.852 -99.200 -91.000 PHE 207 1.000 0.764 -88.070 72.520 -99.200 -91.000 TRP 213 1.040 7.646-105.082 77.745 -99.200 -91.000 TRP6 213 1.020 7.190-105.414 80.042 -99.200 -91.000 HIS 223 0.900 10.864-105.336 70.532 -99.200 -91.000 PHE 225 1.000 6.096-103.533 68.723 -99.200 -91.000 PHE 237 1.000 3.210 -93.252 86.516 -99.200 -91.000