============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 3 1.000 -1.757 7.512 2.427 -99.200 -91.000 HIS 7 0.900 -6.302 2.051 10.213 -99.200 -91.000 PHE 10 1.000 8.553 6.930 15.663 -99.200 -91.000 TYR 25 0.840 -2.572 3.988 5.672 -99.200 -91.000 HIS 43 0.900 9.087 24.673 16.990 -99.200 -91.000 HIS 48 0.900 7.385 28.374 10.307 -99.200 -91.000 PHE 52 1.000 3.706 20.064 5.874 -99.200 -91.000 HIS 64 0.900 11.662 13.909 -14.534 -99.200 -91.000 TYR 70 0.840 0.647 14.157 -2.734 -99.200 -91.000 TYR 75 0.840 -6.484 16.794 4.811 -99.200 -91.000 TYR 85 0.840 12.609 4.517 4.160 -99.200 -91.000 TYR 88 0.840 20.074 1.359 -1.899 -99.200 -91.000 TYR 94 0.840 24.580 4.974 -2.847 -99.200 -91.000 HIS 98 0.900 27.380 2.339 -1.114 -99.200 -91.000 HIS 104 0.900 35.919 10.228 -12.153 -99.200 -91.000 TYR 110 0.840 24.350 7.822 -8.926 -99.200 -91.000 TYR 120 0.840 8.247 17.464 -14.440 -99.200 -91.000 TYR 126 0.840 6.270 24.150 -9.096 -99.200 -91.000 HIS 128 0.900 15.239 21.883 -4.303 -99.200 -91.000 PHE 149 1.000 10.812 19.219 -4.807 -99.200 -91.000 PHE 171 1.000 29.891 28.921 3.665 -99.200 -91.000 TRP 172 1.040 25.537 23.469 -1.847 -99.200 -91.000 TRP6 172 1.020 26.600 23.295 0.280 -99.200 -91.000 TYR 173 0.840 21.122 31.090 -0.764 -99.200 -91.000 PHE 183 1.000 17.054 32.882 -3.146 -99.200 -91.000 TRP 190 1.040 26.515 29.729 -7.464 -99.200 -91.000 TRP6 190 1.020 28.048 31.383 -8.243 -99.200 -91.000 PHE 192 1.000 24.229 20.357 -12.332 -99.200 -91.000 TYR 197 0.840 34.192 21.397 -4.634 -99.200 -91.000 PHE 200 1.000 32.790 14.090 -11.126 -99.200 -91.000 TYR 202 0.840 34.402 9.955 -5.698 -99.200 -91.000 PHE 213 1.000 32.674 29.155 -1.720 -99.200 -91.000 PHE 228 1.000 32.125 43.402 3.592 -99.200 -91.000 HIS 229 0.900 35.303 39.793 5.141 -99.200 -91.000 TYR 251 0.840 37.718 23.307 -12.636 -99.200 -91.000 TRP 258 1.040 30.108 27.122 -9.220 -99.200 -91.000 TRP6 258 1.020 32.120 25.895 -9.015 -99.200 -91.000 PHE 268 1.000 19.223 23.003 -13.723 -99.200 -91.000