============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 4 1.000 -8.449 35.033 -1.388 -99.200 -91.000 TYR 15 0.840 -10.063 28.518 16.027 -99.200 -91.000 TYR 19 0.840 -5.548 24.212 1.901 -99.200 -91.000 HIS 53 0.900 3.155 45.320 18.296 -99.200 -91.000 HIS 64 0.900 -20.765 34.442 7.309 -99.200 -91.000 TYR 70 0.840 -13.442 30.166 2.868 -99.200 -91.000 PHE 73 1.000 -5.240 35.244 10.102 -99.200 -91.000 PHE 75 1.000 3.392 32.168 3.080 -99.200 -91.000 HIS 77 0.900 8.058 33.187 2.378 -99.200 -91.000 PHE 83 1.000 15.559 30.002 13.309 -99.200 -91.000 TYR 100 0.840 13.434 34.944 16.331 -99.200 -91.000 PHE 102 1.000 12.776 44.357 23.676 -99.200 -91.000 PHE 110 1.000 -1.509 46.570 19.674 -99.200 -91.000 HIS 112 0.900 -1.206 39.710 27.438 -99.200 -91.000 HIS 114 0.900 -5.158 47.755 21.857 -99.200 -91.000 HIS 118 0.900 -2.188 32.739 20.662 -99.200 -91.000 PHE 139 1.000 -2.033 37.649 21.280 -99.200 -91.000 TRP 147 1.040 4.059 18.863 24.916 -99.200 -91.000 TRP6 147 1.020 5.696 18.603 23.229 -99.200 -91.000 TYR 148 0.840 4.662 24.835 23.988 -99.200 -91.000 TYR 158 0.840 -15.375 33.060 35.110 -99.200 -91.000 TYR 159 0.840 -8.133 31.007 30.332 -99.200 -91.000 TRP 166 1.040 2.875 28.076 32.121 -99.200 -91.000 TRP6 166 1.020 3.629 27.738 34.357 -99.200 -91.000 PHE 172 1.000 14.035 33.078 28.114 -99.200 -91.000 PHE 182 1.000 7.216 22.772 33.026 -99.200 -91.000 PHE 192 1.000 -0.006 14.434 39.182 -99.200 -91.000 PHE 195 1.000 1.091 20.161 40.434 -99.200 -91.000 TRP 206 1.040 -2.088 29.904 42.663 -99.200 -91.000 TRP6 206 1.020 -2.047 28.381 40.851 -99.200 -91.000 TYR 215 0.840 -5.048 21.166 45.611 -99.200 -91.000 PHE 219 1.000 -3.583 17.781 42.017 -99.200 -91.000 TRP 222 1.040 6.662 14.758 42.558 -99.200 -91.000 TRP6 222 1.020 4.519 14.615 41.567 -99.200 -91.000 PHE 227 1.000 13.347 28.603 37.110 -99.200 -91.000 HIS 247 0.900 7.136 34.207 40.563 -99.200 -91.000 TYR 248 0.840 3.398 26.116 40.644 -99.200 -91.000 HIS 262 0.900 14.778 40.280 34.115 -99.200 -91.000 PHE 264 1.000 17.550 37.236 28.636 -99.200 -91.000 PHE 265 1.000 13.949 40.940 27.228 -99.200 -91.000 HIS 274 0.900 21.678 30.583 6.368 -99.200 -91.000