============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 18 1.000 28.776 -20.294 37.044 -99.200 -91.000 HIS 22 0.900 22.504 -16.280 23.520 -99.200 -91.000 HIS 24 0.900 26.512 -15.484 19.724 -99.200 -91.000 PHE 28 1.000 32.074 -15.968 9.660 -99.200 -91.000 TRP 36 1.040 33.739 -7.702 -1.069 -99.200 -91.000 TRP6 36 1.020 31.377 -7.820 -1.015 -99.200 -91.000 HIS 38 0.900 38.731 -6.462 1.509 -99.200 -91.000 TYR 40 0.840 35.052 -10.817 7.823 -99.200 -91.000 PHE 46 1.000 43.162 -20.051 18.382 -99.200 -91.000 PHE 59 1.000 36.441 -13.947 37.170 -99.200 -91.000 PHE 78 1.000 37.226 -19.143 15.963 -99.200 -91.000 TYR 97 0.840 20.419 -14.036 14.502 -99.200 -91.000 TYR 99 0.840 17.206 -9.849 13.299 -99.200 -91.000 PHE 104 1.000 17.824 -14.583 -3.104 -99.200 -91.000 TYR 105 0.840 18.967 -25.235 0.013 -99.200 -91.000 PHE 106 1.000 16.951 -22.674 3.766 -99.200 -91.000 PHE 118 1.000 17.107 -26.281 11.583 -99.200 -91.000 HIS 120 0.900 24.037 -33.818 7.906 -99.200 -91.000 PHE 135 1.000 22.616 -24.679 21.139 -99.200 -91.000 HIS 169 0.900 17.940 -12.022 18.445 -99.200 -91.000 HIS 173 0.900 11.809 -3.318 24.312 -99.200 -91.000 HIS 198 0.900 18.623 -12.052 22.846 -99.200 -91.000 TYR 207 0.840 6.995 -10.225 26.644 -99.200 -91.000 PHE 217 1.000 14.794 -23.701 32.211 -99.200 -91.000 TYR 223 0.840 22.780 -9.141 33.983 -99.200 -91.000 PHE 228 1.000 20.457 -4.617 22.236 -99.200 -91.000 TYR 246 0.840 7.865 -15.814 38.278 -99.200 -91.000 HIS 254 0.900 28.557 -12.435 30.888 -99.200 -91.000 TYR 256 0.840 32.695 -10.103 24.911 -99.200 -91.000 TRP 262 1.040 26.158 -8.452 13.376 -99.200 -91.000 TRP6 262 1.020 24.002 -8.440 14.349 -99.200 -91.000 TYR 269 0.840 29.914 3.110 16.528 -99.200 -91.000 TRP 277 1.040 28.696 -7.386 25.787 -99.200 -91.000 TRP6 277 1.020 29.105 -7.296 23.459 -99.200 -91.000 PHE 283 1.000 31.671 -15.715 36.615 -99.200 -91.000 PHE 289 1.000 21.951 -5.751 42.818 -99.200 -91.000 PHE 304 1.000 24.710 -17.780 36.910 -99.200 -91.000 PHE 311 1.000 17.542 -25.133 27.372 -99.200 -91.000 PHE 312 1.000 21.939 -28.157 27.045 -99.200 -91.000